Reliable prediction of three-body intermolecular interactions using dispersion-corrected second-order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Yuanhang; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu

2015-07-28

Three-body and higher intermolecular interactions can play an important role in molecular condensed phases. Recent benchmark calculations found problematic behavior for many widely used density functional approximations in treating 3-body intermolecular interactions. Here, we demonstrate that the combination of second-order Møller-Plesset (MP2) perturbation theory plus short-range damped Axilrod-Teller-Muto (ATM) dispersion accurately describes 3-body interactions with reasonable computational cost. The empirical damping function used in the ATM dispersion term compensates both for the absence of higher-order dispersion contributions beyond the triple-dipole ATM term and non-additive short-range exchange terms which arise in third-order perturbation theory and beyond. Empirical damping enables this simplemore » model to out-perform a non-expanded coupled Kohn-Sham dispersion correction for 3-body intermolecular dispersion. The MP2 plus ATM dispersion model approaches the accuracy of O(N{sup 6}) methods like MP2.5 or even spin-component-scaled coupled cluster models for 3-body intermolecular interactions with only O(N{sup 5}) computational cost.« less

The decoupling of the glass transitions in the two-component p-spin spherical model

NASA Astrophysics Data System (ADS)

Ikeda, Harukuni; Ikeda, Atsushi

2016-07-01

Binary mixtures of large and small particles with a disparate size ratio exhibit a rich phenomenology at their glass transition points. In order to gain insights on such systems, we introduce and study a two-component version of the p-spin spherical spin glass model. We employ the replica method to calculate the free energy and the phase diagram. We show that when the strengths of the interactions of each component are not widely separated, the model has only one glass phase characterized by the conventional one-step replica symmetry breaking. However when the strengths of the interactions are well separated, the model has three glass phases depending on the temperature and component ratio. One is the ‘single’ glass phase in which only the spins of one component are frozen while the spins of the other component remain mobile. This phase is characterized by the one-step replica symmetry breaking. The second is the ‘double’ glass phase obtained by cooling the single glass phase further, in which the spins of the remaining mobile component are also frozen. This phase is characterized by the two-step replica symmetry breaking. The third is also the ‘double’ glass phase, which, however, is formed by the simultaneous freezing of the spins of both components at the same temperatures and is characterized by the one-step replica symmetry breaking. We discuss the implications of these results for the glass transitions of binary mixtures.

Spin-lattice relaxation of individual solid-state spins

NASA Astrophysics Data System (ADS)

Norambuena, A.; Muñoz, E.; Dinani, H. T.; Jarmola, A.; Maletinsky, P.; Budker, D.; Maze, J. R.

2018-03-01

Understanding the effect of vibrations on the relaxation process of individual spins is crucial for implementing nanosystems for quantum information and quantum metrology applications. In this work, we present a theoretical microscopic model to describe the spin-lattice relaxation of individual electronic spins associated to negatively charged nitrogen-vacancy centers in diamond, although our results can be extended to other spin-boson systems. Starting from a general spin-lattice interaction Hamiltonian, we provide a detailed description and solution of the quantum master equation of an electronic spin-one system coupled to a phononic bath in thermal equilibrium. Special attention is given to the dynamics of one-phonon processes below 1 K where our results agree with recent experimental findings and analytically describe the temperature and magnetic-field scaling. At higher temperatures, linear and second-order terms in the interaction Hamiltonian are considered and the temperature scaling is discussed for acoustic and quasilocalized phonons when appropriate. Our results, in addition to confirming a T5 temperature dependence of the longitudinal relaxation rate at higher temperatures, in agreement with experimental observations, provide a theoretical background for modeling the spin-lattice relaxation at a wide range of temperatures where different temperature scalings might be expected.

Magnetism of metallacrown single-molecule magnets: From a simplest model to realistic systems

NASA Astrophysics Data System (ADS)

Pavlyukh, Y.; Rentschler, E.; Elmers, H. J.; Hübner, W.; Lefkidis, G.

2018-06-01

Electronic and magnetic properties of molecular nanomagnets are determined by competing energy scales due to the crystal field splitting, the exchange interactions between transition metal atoms, and relativistic effects. We present a comprehensive theory embracing all these phenomena based on first-principles calculations. In order to achieve this goal, we start from the FeNi4 cluster as a paradigm. The system can be accurately described on the ab initio level yielding all expected electronic states in a range of multiplicities from 1 to 9, with a ferromagnetic ground state. By adding the spin-orbit coupling between them we obtain the zero-field splitting. This allows to introduce a spin Hamiltonian of a giant spin model, which operates on a smaller energy scale. We compare the computed parameters of this Hamiltonian with the experimental and theoretical magnetic anisotropy energies of the monolayer Ni/Cu(001). In line with them, we find that the anisotropy almost entirely originates from the second-order spin-orbit coupling, the spin-spin coupling constitutes only a small fraction. Finally, we include the ligand atoms in our consideration. This component has a decisive role for the stabilization of molecules in experimental synthesis and characterization, and also substantially complicates the theory by bringing the superexchange mechanisms into play. Since they are higher-order effects involving two hopping matrix elements, not every theory can describe them. Our generalization of the corresponding perturbation theory substantiates the use of complete active space methods for the description of superexchange. At the same time, our numerical results for the {CuFe4} system demonstrate that the Goodenough-Kanamori rules, which are often used to determine the sign of these exchange interactions, cannot deliver quantitative predictions due to the interplay of other mechanisms, e. g., involving multicenter Coulomb integrals. We conclude by comparing ab initio values of the exchange interaction constants for the {CuCu4} and {CuFe4} metallacrown magnetic molecules with experimental values determined by fitting of the magnetic susceptibility curves χMT (T ) , and attribute the remaining discrepancy between them to the role of virtual electron excitations into and out of the active space (dynamical correlations).

Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels.

PubMed

Flaig, Denis; Maurer, Marina; Hanni, Matti; Braunger, Katharina; Kick, Leonhard; Thubauville, Matthias; Ochsenfeld, Christian

2014-02-11

An extensive study of error distributions for calculating hydrogen and carbon NMR chemical shifts at Hartree-Fock (HF), density functional theory (DFT), and Møller-Plesset second-order perturbation theory (MP2) levels is presented. Our investigation employs accurate CCSD(T)/cc-pVQZ calculations for providing reference data for 48 hydrogen and 40 carbon nuclei within an extended set of chemical compounds covering a broad range of the NMR scale with high relevance to chemical applications, especially in organic chemistry. Besides the approximations of HF, a variety of DFT functionals, and conventional MP2, we also present results with respect to a spin component-scaled MP2 (GIAO-SCS-MP2) approach. For each method, the accuracy is analyzed in detail for various basis sets, allowing identification of efficient combinations of method and basis set approximations.

Improving Limits on Exotic Spin Dependent Long Range Forces using Double Boson Exchange

NASA Astrophysics Data System (ADS)

Aldaihan, Sheakha; Snow, William Michael; Krause, Dennis; Long, Joshua

2016-03-01

The existence of very light weakly interacting particles that mediate new long range forces has been suggested in many extensions of the Standard Model. Such particles span a length scale between a μm and a few meters and include axions, familons, Majorons,and arions. Parameterizations of forces in this range show that they are composite-dependent, have a Yukawa shape, and have both spin-dependent as well as spin independent components. Very stringent limits on spin-independent couplings exist. For long range spin dependent forces, limits are weaker by 20 orders of magnitude compared to their spin independent analogs. The disparity in the limits raises the question of whether interesting limits on spin dependent couplings can be inferred from spin independent searches for long range forces. We show that this is possible using higher order contributions corresponding to double boson exchange and report the limits placed on spin dependent couplings using this method. We gratefully acknowledge the support of Indiana University and the National Science Foundation. The first author also acknowdges King Abdullah scholarship program.

Entanglement entropy and fidelity susceptibility in the one-dimensional spin-1 XXZ chains with alternating single-site anisotropy.

PubMed

Ren, Jie; Liu, Guang-Hua; You, Wen-Long

2015-03-18

We study the fidelity susceptibility in an antiferromagnetic spin-1 XXZ chain numerically. By using the density-matrix renormalization group method, the effects of the alternating single-site anisotropy D on fidelity susceptibility are investigated. Its relation with the quantum phase transition is analyzed. It is found that the quantum phase transition from the Haldane spin liquid to periodic Néel spin solid can be well characterized by the fidelity. Finite size scaling of fidelity susceptibility shows a power-law divergence at criticality, which indicates the quantum phase transition is of second order. The results are confirmed by the second derivative of the ground-state energy. We also study the relationship between the entanglement entropy, the Schmidt gap and quantum phase transitions. Conclusions drawn from these quantum information observables agree well with each other.

Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

NASA Astrophysics Data System (ADS)

Izsák, Róbert; Neese, Frank

2013-07-01

The 'chain of spheres' approximation, developed earlier for the efficient evaluation of the self-consistent field exchange term, is introduced here into the evaluation of the external exchange term of higher order correlation methods. Its performance is studied in the specific case of the spin-component-scaled third-order Møller--Plesset perturbation (SCS-MP3) theory. The results indicate that the approximation performs excellently in terms of both computer time and achievable accuracy. Significant speedups over a conventional method are obtained for larger systems and basis sets. Owing to this development, SCS-MP3 calculations on molecules of the size of penicillin (42 atoms) with a polarised triple-zeta basis set can be performed in ∼3 hours using 16 cores of an Intel Xeon E7-8837 processor with a 2.67 GHz clock speed, which represents a speedup by a factor of 8-9 compared to the previously most efficient algorithm. Thus, the increased accuracy offered by SCS-MP3 can now be explored for at least medium-sized molecules.

The pure rotational spectrum of TiF (X 4Φr): 3d transition metal fluorides revisited

NASA Astrophysics Data System (ADS)

Sheridan, P. M.; McLamarrah, S. K.; Ziurys, L. M.

2003-11-01

The pure rotational spectrum of TiF in its X 4Φr (v=0) ground state has been measured using millimeter/sub-millimeter wave direct absorption techniques in the range 140-530 GHz. In ten out of the twelve rotational transitions recorded, all four spin-orbit components were observed, confirming the 4Φr ground state assignment. Additional small splittings were resolved in several of the spin components in lower J transitions, which appear to arise from magnetic hyperfine interactions of the 19F nucleus. In contrast, no evidence for Λ-doubling was seen in the data. The rotational transitions of TiF were analyzed using a case (a) Hamiltonian, resulting in the determination of rotational and fine structure constants, as well as hyperfine parameters for the fluorine nucleus. The data were readily fit in a case (a) basis, indicating strong first order spin-orbit coupling and minimal second-order effects, as also evidenced by the small value of λ, the spin-spin parameter. Moreover, only one higher order term, η, the spin-orbit/spin-spin interaction term, was needed in the analysis, again suggesting limited perturbations in the ground state. The relative values of the a, b, and c hyperfine constants indicate that the three unpaired electrons in this radical lie in orbitals primarily located on the titanium atom and support the molecular orbital picture of TiF with a σ1δ1π1 single electron configuration. The bond length of TiF (1.8342 Å) is significantly longer than that of TiO, suggesting that there are differences in the bonding between 3d transition metal fluorides and oxides.

Probing equilibrium by nonequilibrium dynamics: Aging in Co/Cr superlattices

NASA Astrophysics Data System (ADS)

Binek, Christian

2013-03-01

Magnetic aging phenomena are investigated in a structurally ordered Co/Cr superlattice through measurements of magnetization relaxation, magnetic susceptibility, and hysteresis at various temperatures above and below the onset of collective magnetic order. We take advantage of the fact that controlled growth of magnetic multilayer thin films via molecular beam epitaxy allows tailoring the intra and inter-layer exchange interaction and thus enables tuning of magnetic properties including the spin-fluctuation spectra. Tailored nanoscale periodicity in Co/Cr multilayers creates mesoscopic spatial magnetic correlations with slow relaxation dynamics when quenching the system into a nonequilibrium state. Magnetization relaxation in weakly correlated spin systems depends on the microscopic spin-flip time of about 10 ns and is therefore a fast process. The spin correlations in our Co/Cr superlattice bring the magnetization dynamics to experimentally better accessible time scales of seconds or hours. In contrast to spin-glasses, where slow dynamics due to disorder and frustration is a well-known phenomenon, we tune and increase relaxation times in ordered structures. This is achieved by increasing spin-spin correlation between mesoscopically correlated regions rather than individual atomic spins, a concept with some similarity to block spin renormalization. Magnetization transients are measured after exposing the Co/Cr heterostructure to a magnetic set field for various waiting times. Scaling analysis reveals an asymptotic power-law behavior in accordance with a full aging scenario. The temperature dependence of the relaxation exponent shows pronounced anomalies at the equilibrium phase transitions of the antiferromagnetic superstructure and the ferromagnetic to paramagnetic transition of the Co layers. The latter leaves only weak fingerprints in the equilibrium magnetic behavior but gives rise to a prominent change in nonequilibrium properties. Our findings suggest that scaling analysis of nonequilibrium data can serve as a probe for weak equilibrium phase transitions. Financial support by NRI, and NSF through EPSCoR, and MRSEC 0820521 is greatly acknowledged.

Measurement of the magnetic interaction between two bound electrons of two separate ions.

PubMed

Kotler, Shlomi; Akerman, Nitzan; Navon, Nir; Glickman, Yinnon; Ozeri, Roee

2014-06-19

Electrons have an intrinsic, indivisible, magnetic dipole aligned with their internal angular momentum (spin). The magnetic interaction between two electronic spins can therefore impose a change in their orientation. Similar dipolar magnetic interactions exist between other spin systems and have been studied experimentally. Examples include the interaction between an electron and its nucleus and the interaction between several multi-electron spin complexes. The challenge in observing such interactions for two electrons is twofold. First, at the atomic scale, where the coupling is relatively large, it is often dominated by the much larger Coulomb exchange counterpart. Second, on scales that are substantially larger than the atomic, the magnetic coupling is very weak and can be well below the ambient magnetic noise. Here we report the measurement of the magnetic interaction between the two ground-state spin-1/2 valence electrons of two (88)Sr(+) ions, co-trapped in an electric Paul trap. We varied the ion separation, d, between 2.18 and 2.76 micrometres and measured the electrons' weak, millihertz-scale, magnetic interaction as a function of distance, in the presence of magnetic noise that was six orders of magnitude larger than the magnetic fields the electrons apply on each other. The cooperative spin dynamics was kept coherent for 15 seconds, during which spin entanglement was generated, as verified by a negative measured value of -0.16 for the swap entanglement witness. The sensitivity necessary for this measurement was provided by restricting the spin evolution to a decoherence-free subspace that is immune to collective magnetic field noise. Our measurements show a d(-3.0(4)) distance dependence for the coupling, consistent with the inverse-cube law.

Critical phenomena at the complex tensor ordering phase transition

NASA Astrophysics Data System (ADS)

Boettcher, Igor; Herbut, Igor F.

2018-02-01

We investigate the critical properties of the phase transition towards complex tensor order that has been proposed to occur in spin-orbit-coupled superconductors. For this purpose, we formulate the bosonic field theory for fluctuations of the complex irreducible second-rank tensor order parameter close to the transition. We then determine the scale dependence of the couplings of the theory by means of the perturbative renormalization group (RG). For the isotropic system, we generically detect a fluctuation-induced first-order phase transition. The initial values for the running couplings are determined by the underlying microscopic model for the tensorial order. As an example, we study three-dimensional Luttinger semimetals with electrons at a quadratic band-touching point. Whereas the strong-coupling transition of the model receives substantial fluctuation corrections, the weak-coupling transition at low temperatures is rendered only weakly first order due to the presence of a fixed point in the vicinity of the RG trajectory. If the number of fluctuating complex components of the order parameter is reduced by cubic anisotropy, the theory maps onto the field theory for frustrated magnetism.

Phase transition in the spin- 3 / 2 Blume-Emery-Griffiths model with antiferromagnetic second neighbor interactions

NASA Astrophysics Data System (ADS)

Yezli, M.; Bekhechi, S.; Hontinfinde, F.; EZ-Zahraouy, H.

2016-04-01

Two nonperturbative methods such as Monte-Carlo simulation (MC) and Transfer-Matrix Finite-Size-Scaling calculations (TMFSS) have been used to study the phase transition of the spin- 3 / 2 ​Blume-Emery-Griffiths model (BEG) with quadrupolar and antiferromagnetic next-nearest-neighbor exchange interactions. Ground state and finite temperature phase diagrams are obtained by means of these two methods. New degenerate phases are found and only second order phase transitions occur for all values of the parameter interactions. No sign of the intermediate phase is found from both methods. Critical exponents are also obtained from TMFSS calculations. Ising criticality and nonuniversal behaviors are observed depending on the strength of the second neighbor interaction.

Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

NASA Astrophysics Data System (ADS)

Sancho-García, J. C.; Aragó, J.; Ortí, E.; Olivier, Y.

2013-05-01

The non-covalent interactions in organic molecules are known to drive their self-assembly to form molecular crystals. We compare, in the case of anthracene and against experimental (electronic-only) sublimation energy, how modern quantum-chemical methods are able to calculate this cohesive energy taking into account all the interactions between occurring dimers in both first-and second-shells. These include both O(N6)- and O(N5)-scaling methods, Local Pair Natural Orbital-parameterized Coupled-Cluster Single and Double, and Spin-Component-Scaled-Møller-Plesset perturbation theory at second-order, respectively, as well as the most modern family of conceived density functionals: double-hybrid expressions in several variants (B2-PLYP, mPW2-PLYP, PWPB95) with customized dispersion corrections (-D3 and -NL). All-in-all, it is shown that these methods behave very accurately producing errors in the 1-2 kJ/mol range with respect to the experimental value taken into account the experimental uncertainty. These methods are thus confirmed as excellent tools for studying all kinds of interactions in chemical systems.

Polymer Dynamics from Synthetic to Biological Macromolecules

NASA Astrophysics Data System (ADS)

Richter, D.; Niedzwiedz, K.; Monkenbusch, M.; Wischnewski, A.; Biehl, R.; Hoffmann, B.; Merkel, R.

2008-02-01

High resolution neutron scattering together with a meticulous choice of the contrast conditions allows to access the large scale dynamics of soft materials including biological molecules in space and time. In this contribution we present two examples. One from the world of synthetic polymers, the other from biomolecules. First, we will address the peculiar dynamics of miscible polymer blends with very different component glass transition temperatures. Polymethylmetacrylate (PMMA), polyethyleneoxide (PEO) are perfectly miscible but exhibit a difference in the glass transition temperature by 200 K. We present quasielastic neutron scattering investigations on the dynamics of the fast component in the range from angströms to nanometers over a time frame of five orders of magnitude. All data may be consistently described in terms of a Rouse model with random friction, reflecting the random environment imposed by the nearly frozen PMMA matrix on the fast mobile PEO. In the second part we touch on some new developments relating to large scale internal dynamics of proteins by neutron spin echo. We will report results of some pioneering studies which show the feasibility of such experiments on large scale protein motion which will most likely initiate further studies in the future.

Itinerant ferromagnetism in ultracold Fermi gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heiselberg, H.

2011-05-15

Itinerant ferromagnetism in cold Fermi gases with repulsive interactions is studied applying the Jastrow-Slater approximation generalized to finite polarization and temperature. For two components at zero temperature, a second-order transition is found at ak{sub F}{approx_equal}0.90 compatible with results of quantum-Monte-Carlo (QMC) calculations. Thermodynamic functions and observables, such as the compressibility and spin susceptibility and the resulting fluctuations in number and spin, are calculated. For trapped gases, the resulting cloud radii and kinetic energies are calculated and compared to recent experiments. Spin-polarized systems are recommended for effective separation of large ferromagnetic domains. Collective modes are predicted and tricritical points are calculatedmore » for multicomponent systems.« less

Spin-wave energy dispersion of a frustrated spin-½ Heisenberg antiferromagnet on a stacked square lattice.

PubMed

Majumdar, Kingshuk

2011-03-23

The effects of interlayer coupling and spatial anisotropy on the spin-wave excitation spectra of a three-dimensional spatially anisotropic, frustrated spin-½ Heisenberg antiferromagnet (HAFM) are investigated for the two ordered phases using second-order spin-wave expansion. We show that the second-order corrections to the spin-wave energies are significant and find that the energy spectra of the three-dimensional HAFM have similar qualitative features to the energy spectra of the two-dimensional HAFM on a square lattice. We also discuss the features that can provide experimental measures for the strength of the interlayer coupling, spatial anisotropy parameter, and magnetic frustration.

Spin determination at the Large Hadron Collider

NASA Astrophysics Data System (ADS)

Yavin, Itay

The quantum field theory describing the Electroweak sector demands some new physics at the TeV scale in order to unitarize the scattering of longitudinal W bosons. If this new physics takes the form of a scalar Higgs boson then it is hard to understand the huge hierarchy of scales between the Electroweak scale ˜ TeV and the Planck scale ˜ 1019 GeV. This is known as the Naturalness problem. Normally, in order to solve this problem, new particles, in addition to the Higgs boson, are required to be present in the spectrum below a few TeV. If such particles are indeed discovered at the Large Hadron Collider it will become important to determine their spin. Several classes of models for physics beyond the Electroweak scale exist. Determining the spin of any such newly discovered particle could prove to be the only means of distinguishing between these different models. In the first part of this thesis; we present a thorough discussion regarding such a measurement. We survey the different potentially useful channels for spin determination and a detailed analysis of the most promising channel is performed. The Littlest Higgs model offers a way to solve the Hierarchy problem by introduring heavy partners to Standard Model particles with the same spin and quantum numbers. However, this model is only good up to ˜ 10 TeV. In the second part of this thesis we present an extension of this model into a strongly coupled theory above ˜ 10 TeV. We use the celebrated AdS/CFT correspondence to calculate properties of the low-energy physics in terms of high-energy parameters. We comment on some of the tensions inherent to such a construction involving a large-N CFT (or equivalently, an AdS space).

Sakata-Taketani spin-0 theory with external field interactions - Lagrangian formalism and causal properties

NASA Technical Reports Server (NTRS)

Guertin, R. F.; Wilson, T. L.

1977-01-01

To illustrate that a relativistic field theory need not be manifestly covariant, Lorentz-invariant Lagrangian densities are constructed that yield the equation satisfied by an interacting (two-component) Sakata-Taketani spin-0 field. Six types of external field couplings are considered, two scalars, two vectors, an antisymmetric second-rank tensor, and a symmetric second-rank tensor, with the results specialized to electromagnetic interactions. For either of the two second-rank couplings, the equation is found to describe noncausal wave propagation, a property that is apparent from the dependence of the coefficients of the space derivatives on the external field; in contrast, the noncausality of the corresponding manifestly covariant Duffin-Kemmer-Petiau spin-0 equation is not so obvious. The possibilities for generalizing the results to higher spin theories involving only the essential 2(2J + 1) components for a particle with a definite spin J and mass m are discussed in considerable detail.

Spin-Hall effect and emergent antiferromagnetic phase transition in n-Si

NASA Astrophysics Data System (ADS)

Lou, Paul C.; Kumar, Sandeep

2018-04-01

Spin current experiences minimal dephasing and scattering in Si due to small spin-orbit coupling and spin-lattice interactions is the primary source of spin relaxation. We hypothesize that if the specimen dimension is of the same order as the spin diffusion length then spin polarization will lead to non-equilibrium spin accumulation and emergent phase transition. In n-Si, spin diffusion length has been reported up to 6 μm. The spin accumulation in Si will modify the thermal transport behavior of Si, which can be detected with thermal characterization. In this study, we report observation of spin-Hall effect and emergent antiferromagnetic phase transition behavior using magneto-electro-thermal transport characterization. The freestanding Pd (1 nm)/Ni80Fe20 (75 nm)/MgO (1 nm)/n-Si (2 μm) thin film specimen exhibits a magnetic field dependent thermal transport and spin-Hall magnetoresistance behavior attributed to Rashba effect. An emergent phase transition is discovered using self-heating 3ω method, which shows a diverging behavior at 270 K as a function of temperature similar to a second order phase transition. We propose that spin-Hall effect leads to the spin accumulation and resulting emergent antiferromagnetic phase transition. We propose that the length scale for Rashba effect can be equal to the spin diffusion length and two-dimensional electron gas is not essential for it. The emergent antiferromagnetic phase transition is attributed to the site inversion asymmetry in diamond cubic Si lattice.

Non-Abelian Geometric Phases Carried by the Quantum Noise Matrix

NASA Astrophysics Data System (ADS)

Bharath, H. M.; Boguslawski, Matthew; Barrios, Maryrose; Chapman, Michael

2017-04-01

Topological phases of matter are characterized by topological order parameters that are built using Berry's geometric phase. Berry's phase is the geometric information stored in the overall phase of a quantum state. We show that geometric information is also stored in the second and higher order spin moments of a quantum spin system, captured by a non-abelian geometric phase. The quantum state of a spin-S system is uniquely characterized by its spin moments up to order 2S. The first-order spin moment is the spin vector, and the second-order spin moment represents the spin fluctuation tensor, i.e., the quantum noise matrix. When the spin vector is transported along a loop in the Bloch ball, we show that the quantum noise matrix picks up a geometric phase. Considering spin-1 systems, we formulate this geometric phase as an SO(3) operator. Geometric phases are usually interpreted in terms of the solid angle subtended by the loop at the center. However, solid angles are not well defined for loops that pass through the center. Here, we introduce a generalized solid angle which is well defined for all loops inside the Bloch ball, in terms of which, we interpret the SO(3) geometric phase. This geometric phase can be used to characterize topological spin textures in cold atomic clouds.

Quantitative analysis of Earth's field NMR spectra of strongly-coupled heteronuclear systems.

PubMed

Halse, Meghan E; Callaghan, Paul T; Feland, Brett C; Wasylishen, Roderick E

2009-09-01

In the Earth's magnetic field, it is possible to observe spin systems consisting of unlike spins that exhibit strongly coupled second-order NMR spectra. Such spectra result when the J-coupling between two unlike spins is of the same order of magnitude as the difference in their Larmor precession frequencies. Although the analysis of second-order spectra involving only spin-(1/2) nuclei has been discussed since the early days of NMR spectroscopy, NMR spectra involving spin-(1/2) nuclei and quadrupolar (I>(1/2)) nuclei have rarely been treated. Two examples are presented here, the tetrahydroborate anion, BH4-, and the ammonium cation, NH4+. For the tetrahydroborate anion, (1)J((11)B,(1)H)=80.9Hz, and in an Earth's field of 53.3microT, nu((1)H)=2269Hz and nu((11)B)=728Hz. The (1)H NMR spectra exhibit features that both first- and second-order perturbation theory are unable to reproduce. On the other hand, second-order perturbation theory adequately describes (1)H NMR spectra of the ammonium anion, (14)NH4+, where (1)J((14)N,(1)H)=52.75Hz when nu((1)H)=2269Hz and nu((14)N)=164Hz. Contrary to an early report, we find that the (1)H NMR spectra are independent of the sign of (1)J((14)N,(1)H). Exact analysis of two-spin systems consisting of quadrupolar nuclei and spin-(1/2) nuclei are also discussed.

Quadratic integrand double-hybrid made spin-component-scaled

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brémond, Éric, E-mail: eric.bremond@iit.it; Savarese, Marika; Sancho-García, Juan C.

2016-03-28

We propose two analytical expressions aiming to rationalize the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) schemes for double-hybrid exchange-correlation density-functionals. Their performances are extensively tested within the framework of the nonempirical quadratic integrand double-hybrid (QIDH) model on energetic properties included into the very large GMTKN30 benchmark database, and on structural properties of semirigid medium-sized organic compounds. The SOS variant is revealed as a less computationally demanding alternative to reach the accuracy of the original QIDH model without losing any theoretical background.

Conditions for l =1 Pomeranchuk instability in a Fermi liquid

NASA Astrophysics Data System (ADS)

Wu, Yi-Ming; Klein, Avraham; Chubukov, Andrey V.

2018-04-01

We perform a microscopic analysis of how the constraints imposed by conservation laws affect q =0 Pomeranchuk instabilities in a Fermi liquid. The conventional view is that these instabilities are determined by the static interaction between low-energy quasiparticles near the Fermi surface, in the limit of vanishing momentum transfer q . The condition for a Pomeranchuk instability is set by Flc (s )=-1 , where Flc (s ) (a Landau parameter) is a properly normalized partial component of the antisymmetrized static interaction F (k ,k +q ;p ,p -q ) in a charge (c) or spin (s) subchannel with angular momentum l . However, it is known that conservation laws for total spin and charge prevent Pomeranchuk instabilities for l =1 spin- and charge-current order parameters. Our study aims to understand whether this holds only for these special forms of l =1 order parameters or is a more generic result. To this end we perform a diagrammatic analysis of spin and charge susceptibilities for charge and spin density order parameters, as well as perturbative calculations to second order in the Hubbard U . We argue that for l =1 spin-current and charge-current order parameters, certain vertex functions, which are determined by high-energy fermions, vanish at Fl=1 c (s )=-1 , preventing a Pomeranchuk instability from taking place. For an order parameter with a generic l =1 form factor, the vertex function is not expressed in terms of Fl=1 c (s ), and a Pomeranchuk instability may occur when F1c (s )=-1 . We argue that for other values of l , a Pomeranchuk instability may occur at Flc (s )=-1 for an order parameter with any form factor.

[Control of intubator associated pneumonia in intensive care unit: results of the GISIO-SItI SPIN-UTI Project].

PubMed

Agodi, Antonella; Auxilia, Francesco; Barchitta, Martina; D'Errico, Marcello Mario; Montagna, Maria Teresa; Pasquarella, Cesira; Tardivo, Stefano; Mura, Ida

2014-01-01

To document reported Intubator Associated Pneumonia (IAP) prevention practices in Intensive Care Units (ICUs) and attitudes towards the implementation of a measurement system. In the framework of the SPIN-UTI project the «Italian Nosocomial Infections Surveillance in ICUs network», two questionnaires were made available online. The first was filled out by physicians working in ICUs in order to collect data on characteristics of physicians and ICUs, on clinical and measurement practices for IAP prevention, and attitudes towards the implementation of a measurement system. The second questionnaire was filled out for each intubated patient in order to collect data on prevention practices during ICU stay. ICUs participating to the fourth edition (2012-2013) of the SPIN-UTI project. Compliance to the component of the European bundle. The components of the bundle for the prevention of IAP are implemented, although to a different level, in the 26 participating ICUs. Overall compliance to all five practices of the European bundle has been reported in 21.1% of the 768 included patients. The present survey has documented a large potential for improvement in clinical and non-clinical practices aimed at preventing IAP in ICUs.

Spin and topological order in a periodically driven spin chain

NASA Astrophysics Data System (ADS)

Russomanno, Angelo; Friedman, Bat-el; Dalla Torre, Emanuele G.

2017-07-01

The periodically driven quantum Ising chain has recently attracted a large attention in the context of Floquet engineering. In addition to the common paramagnet and ferromagnet, this driven model can give rise to new topological phases. In this work, we systematically explore its quantum phase diagram by examining the properties of its Floquet ground state. We specifically focus on driving protocols with time-reversal invariant points, and demonstrate the existence of an infinite number of distinct phases. These phases are separated by second-order quantum phase transitions, accompanied by continuous changes of local and string order parameters, as well as sudden changes of a topological winding number and of the number of protected edge states. When one of these phase transitions is adiabatically crossed, the correlator associated to the order parameter is nonvanishing over a length scale which shows a Kibble-Zurek scaling. In some phases, the Floquet ground state spontaneously breaks the discrete time-translation symmetry of the Hamiltonian. Our findings provide a better understanding of topological phases in periodically driven clean integrable models.

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides.

PubMed

Rusakov, Yury Yu; Rusakova, Irina L; Krivdin, Leonid B

2014-05-01

Four-component relativistic calculations of (77)Se-(13)C spin-spin coupling constants have been performed in the series of selenium heterocycles and their parent open-chain selenides. It has been found that relativistic effects play an essential role in the selenium-carbon coupling mechanism and could result in a contribution of as much as 15-25% of the total values of the one-bond selenium-carbon spin-spin coupling constants. In the overall contribution of the relativistic effects to the total values of (1)J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin-orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second-order polarization propagator approach (CC2) with the four-component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of (1)J(Se,C). Solvent effects in the values of (1)J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2-78.4) are next to negligible decreasing negative (1)J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of (77)Se-(13)C spin-spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1-0.2-Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd.

Coarse graining flow of spin foam intertwiners

NASA Astrophysics Data System (ADS)

Dittrich, Bianca; Schnetter, Erik; Seth, Cameron J.; Steinhaus, Sebastian

2016-12-01

Simplicity constraints play a crucial role in the construction of spin foam models, yet their effective behavior on larger scales is scarcely explored. In this article we introduce intertwiner and spin net models for the quantum group SU (2 )k×SU (2 )k, which implement the simplicity constraints analogous to four-dimensional Euclidean spin foam models, namely the Barrett-Crane (BC) and the Engle-Pereira-Rovelli-Livine/Freidel-Krasnov (EPRL/FK) model. These models are numerically coarse grained via tensor network renormalization, allowing us to trace the flow of simplicity constraints to larger scales. In order to perform these simulations we have substantially adapted tensor network algorithms, which we discuss in detail as they can be of use in other contexts. The BC and the EPRL/FK model behave very differently under coarse graining: While the unique BC intertwiner model is a fixed point and therefore constitutes a two-dimensional topological phase, BC spin net models flow away from the initial simplicity constraints and converge to several different topological phases. Most of these phases correspond to decoupling spin foam vertices; however we find also a new phase in which this is not the case, and in which a nontrivial version of the simplicity constraints holds. The coarse graining flow of the BC spin net models indicates furthermore that the transitions between these phases are not of second order. The EPRL/FK model by contrast reveals a far more intricate and complex dynamics. We observe an immediate flow away from the original simplicity constraints; however, with the truncation employed here, the models generically do not converge to a fixed point. The results show that the imposition of simplicity constraints can indeed lead to interesting and also very complex dynamics. Thus we need to further develop coarse graining tools to efficiently study the large scale behavior of spin foam models, in particular for the EPRL/FK model.

Assessment of Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory and Its Spin-Component and Spin-Opposite Scaled Variants for Thermochemistry and Kinetics.

PubMed

Soydaş, Emine; Bozkaya, Uğur

2013-03-12

An assessment of the OMP3 method and its spin-component and spin-scaled variants for thermochemistry and kinetics is presented. For reaction energies of closed-shell systems, the CCSD, SCS-MP3, and SCS-OMP3 methods show better performances than other considered methods, and no significant improvement is observed due to orbital optimization. For barrier heights, OMP3 and SCS-OMP3 provide the lowest mean absolute deviations. The MP3 method yields considerably higher errors, and the spin scaling approaches do not help to improve upon MP3, but worsen it. For radical stabilization energies, the CCSD, OMP3, and SCS-OMP3 methods exhibit noticeably better performances than MP3 and its variants. Our results demonstrate that if the reference wave function suffers from a spin-contamination, then the MP3 methods dramatically fail. On the other hand, the OMP3 method and its variants can tolerate the spin-contamination in the reference wave function. For overall evaluation, we conclude that OMP3 is quite helpful, especially in electronically challenged systems, such as free radicals or transition states where spin contamination dramatically deteriorates the quality of the canonical MP3 and SCS-MP3 methods. Both OMP3 and CCSD methods scale as n(6), where n is the number of basis functions. However, the OMP3 method generally converges in much fewer iterations than CCSD. In practice, OMP3 is several times faster than CCSD in energy computations. Further, the stationary properties of OMP3 make it much more favorable than CCSD in the evaluation of analytic derivatives. For OMP3, the analytic gradient computations are much less expensive than CCSD. For the frequency computation, both methods require the evaluation of the perturbed amplitudes and orbitals. However, in the OMP3 case there is still a significant computational time savings due to simplifications in the analytic Hessian expression owing to the stationary property of OMP3. Hence, the OMP3 method emerges as a very useful tool for computational quantum chemistry.

Analytical spectrum for a Hamiltonian of quantum dots with Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Dossa, Anselme F.; Avossevou, Gabriel Y. H.

2014-12-01

We determine the analytical solution for a Hamiltonian describing a confined charged particle in a quantum dot, including Rashba spin-orbit coupling and Zeeman splitting terms. The approach followed in this paper is straightforward and uses the symmetrization of the wave function's components. The eigenvalue problem for the Hamiltonian in Bargmann's Hilbert space reduces to a system of coupled first-order differential equations. Then we exploit the symmetry in the system to obtain uncoupled second-order differential equations, which are found to be the Whittaker-Ince limit of the confluent Heun equations. Analytical expressions as well as numerical results are obtained for the spectrum. One of the main features of such models, namely, the level splitting, is present through the spectrum obtained in this paper.

Spin-flavor structure of chiral-odd generalized parton distributions in the large- N c limit

DOE PAGES

Schweitzer, P.; Weiss, C.

2016-10-05

We study the spin-flavor structure of the nucleon's chiral-odd generalized parton distributions (transversity GPDs) in the large-N c limit of QCD. In contrast to the chiral-even case, only three combinations of the four chiral-odd GPDs are nonzero in the leading order of the 1/N c expansion: E-bar T = E T+2H-tilde T, H T, and E-tilde T. The degeneracy is explained by the absence of spin-orbit interactions correlating the transverse momentum transfer with the transverse quark spin. It can also be deduced from the natural N c scaling of the quark-nucleon helicity amplitudes associated with the GPDs. In the GPDmore » E-bar T the flavor-singlet component u+d is leading in the 1/N c expansion, while in H T and E-tilde T it is the flavor-nonsinglet components u–d. Furthermore, the large-N c relations are consistent with the spin-flavor structure extracted from hard exclusive π 0 and η electroproduction data, if it is assumed that the processes are mediated by twist-3 amplitudes involving the chiral-odd GPDs and the chiral-odd pseudoscalar meson distribution amplitudes.« less

Low temperature properties of spin filter NbN/GdN/NbN Josephson junctions

NASA Astrophysics Data System (ADS)

Massarotti, D.; Caruso, R.; Pal, A.; Rotoli, G.; Longobardi, L.; Pepe, G. P.; Blamire, M. G.; Tafuri, F.

2017-02-01

A ferromagnetic Josephson junction (JJ) represents a special class of hybrid system where different ordered phases meet and generate novel physics. In this work we report on the transport measurements of underdamped ferromagnetic NbN/GdN/NbN JJs at low temperatures. In these junctions the ferromagnetic insulator gadolinium nitride barrier generates spin-filtering properties and a dominant second harmonic component in the current-phase relation. These features make spin filter junctions quite interesting also in terms of fundamental studies on phase dynamics and dissipation. We discuss the fingerprints of spin filter JJs, through complementary transport measurements, and their implications on the phase dynamics, through standard measurements of switching current distributions. NbN/GdN/NbN JJs, where spin filter properties can be controllably tuned along with the critical current density (Jc), turn to be a very relevant term of reference to understand phase dynamics and dissipation in an enlarged class of JJs, not necessarily falling in the standard tunnel limit characterized by low Jc values.

Latent dimensions of social anxiety disorder: A re-evaluation of the Social Phobia Inventory (SPIN).

PubMed

Campbell-Sills, Laura; Espejo, Emmanuel; Ayers, Catherine R; Roy-Byrne, Peter; Stein, Murray B

2015-12-01

The Social Phobia Inventory (SPIN; Connor et al., 2000) is a well-validated instrument for assessing severity of social anxiety disorder (SAD). However, evaluations of its factor structure have produced inconsistent results and this aspect of the scale requires further study. Primary care patients with SAD (N=397) completed the SPIN as part of baseline assessment for the Coordinated Anxiety Learning and Management study (Roy-Byrne et al., 2010). These data were used for exploratory and confirmatory factor analysis of the SPIN. A 3-factor model provided the best fit for the data and factors were interpreted as Fear of Negative Evaluation, Fear of Physical Symptoms, and Fear of Uncertainty in Social Situations. Tests of a second-order model showed that the three factors loaded strongly on a single higher-order factor that was labeled Social Anxiety. Findings are consistent with theories identifying Fear of Negative Evaluation as the core feature of SAD, and with evidence that anxiety sensitivity and intolerance of uncertainty further contribute to SAD severity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Spatial reorientation experiments for NMR of solids and partially oriented liquids.

PubMed

Martin, Rachel W; Kelly, John E; Collier, Kelsey A

2015-11-01

Motional reorientation experiments are extensions of Magic Angle Spinning (MAS) where the rotor axis is changed in order to average out, reintroduce, or scale anisotropic interactions (e.g. dipolar couplings, quadrupolar interactions or chemical shift anisotropies). This review focuses on Variable Angle Spinning (VAS), Switched Angle Spinning (SAS), and Dynamic Angle Spinning (DAS), all of which involve spinning at two or more different angles sequentially, either in successive experiments or during a multidimensional experiment. In all of these experiments, anisotropic terms in the Hamiltonian are scaled by changing the orientation of the spinning sample relative to the static magnetic field. These experiments vary in experimental complexity and instrumentation requirements. In VAS, many one-dimensional spectra are collected as a function of spinning angle. In SAS, dipolar couplings and/or chemical shift anisotropies are reintroduced by switching the sample between two different angles, often 0° or 90° and the magic angle, yielding a two-dimensional isotropic-anisotropic correlation spectrum. Dynamic Angle Spinning (DAS) is a related experiment that is used to simultaneously average out the first- and second-order quadrupolar interactions, which cannot be accomplished by spinning at any unique rotor angle in physical space. Although motional reorientation experiments generally require specialized instrumentation and data analysis schemes, some are accessible with only minor modification of standard MAS probes. In this review, the mechanics of each type of experiment are described, with representative examples. Current and historical probe and coil designs are discussed from the standpoint of how each one accomplishes the particular objectives of the experiment(s) it was designed to perform. Finally, applications to inorganic materials and liquid crystals, which present very different experimental challenges, are discussed. The review concludes with perspectives on how motional reorientation experiments can be applied to current problems in chemistry, molecular biology, and materials science, given the many advances in high-field NMR magnets, fast spinning, and sample preparation realized in recent years. Copyright © 2015 Elsevier B.V. All rights reserved.

Intrinsic domain wall flexing from current-induced spin torque

NASA Astrophysics Data System (ADS)

Golovatski, Elizabeth; Flatté, Michael

2012-02-01

Spin torque generated by coherent carrier transport in domain walls [1] is a major component in the development of spintronic devices [2]. We model spin torque in N'eel walls [3] using a piecewise linear transfer-matrix method [4] to calculate spin torque on interior wall segments. For a π wall with a total positive torque (current left-to-right), we find the largest positive and negative spin torques left of the central region, 4-5 orders of magnitude larger than the center. The wall's rightward push comes from the back of the wall; all other significant regions pull to the left. Adding a second wall (both walls with positive total torque) changes the first wall little, but produces spin torques in the second wall with large canceling torques on the left, and the push rightward from a smaller torque on the right. The gradient of torque across the wall generates an intrinsic domain wall flexing (distinct from extrinsic wall flexing from pinning centers [5]). Work supported by an ARO MURI.[4pt] [1] M. Yamanouchi et al., Nature 428, 539 (2004).[0pt] [2] S. Parkin et al., Science 320, 190 (2008)[0pt] [3] G. Vignale and M. Flatt'e, Phys. Rev. Lett. 89, 098302 (2002)[0pt] [4] E. Golovatski and M. Flatt'e, Phys. Rev. B, 84, 115210 (2011)[0pt] [5] A. Balk et al., Phys. Rev. Lett. 107, 077205 (2011).

Ultralong relaxation times in bistable hybrid quantum systems.

PubMed

Angerer, Andreas; Putz, Stefan; Krimer, Dmitry O; Astner, Thomas; Zens, Matthias; Glattauer, Ralph; Streltsov, Kirill; Munro, William J; Nemoto, Kae; Rotter, Stefan; Schmiedmayer, Jörg; Majer, Johannes

2017-12-01

Nonlinear systems, whose outputs are not directly proportional to their inputs, are well known to exhibit many interesting and important phenomena that have profoundly changed our technological landscape over the last 50 years. Recently, the ability to engineer quantum metamaterials through hybridization has allowed us to explore these nonlinear effects in systems with no natural analog. We investigate amplitude bistability, which is one of the most fundamental nonlinear phenomena, in a hybrid system composed of a superconducting resonator inductively coupled to an ensemble of nitrogen-vacancy centers. One of the exciting properties of this spin system is its long spin lifetime, which is many orders of magnitude longer than other relevant time scales of the hybrid system. This allows us to dynamically explore this nonlinear regime of cavity quantum electrodynamics and demonstrate a critical slowing down of the cavity population on the order of several tens of thousands of seconds-a time scale much longer than observed so far for this effect. Our results provide a foundation for future quantum technologies based on nonlinear phenomena.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schäfer, Gerhard

The current knowledge in the post-Newtonian (PN) dynamics and motion of non-spinning and spinning compact binaries will be presented based on the Arnowitt-Deser-Misner Hamiltonian approach to general relativity. The presentation will cover the binary dynamics with non-spinning components up to the 4PN order and for spinning binaries up to the next-to-next-to-leading order in the spin-orbit and spin-spin couplings. Radiation reaction will be treated for both non-spinning and spinning binaries. Explicit analytic expressions for the motion will be given, innermost stable circular orbits will be discussed.

Breaking Symmetry in Time-Dependent Electronic Structure Theory to Describe Spectroscopic Properties of Non-Collinear and Chiral Molecules

NASA Astrophysics Data System (ADS)

Goings, Joshua James

Time-dependent electronic structure theory has the power to predict and probe the ways electron dynamics leads to useful phenomena and spectroscopic data. Here we report several advances and extensions of broken-symmetry time-dependent electronic structure theory in order to capture the flexibility required to describe non-equilibrium spin dynamics, as well as electron dynamics for chiroptical properties and vibrational effects. In the first half, we begin by discussing the generalization of self-consistent field methods to the so-called two-component structure in order to capture non-collinear spin states. This means that individual electrons are allowed to take a superposition of spin-1/2 projection states, instead of being constrained to either spin-up or spin-down. The system is no longer a spin eigenfunction, and is known a a spin-symmetry broken wave function. This flexibility to break spin symmetry may lead to variational instabilities in the approximate wave function, and we discuss how these may be overcome. With a stable non-collinear wave function in hand, we then discuss how to obtain electronic excited states from the non-collinear reference, along with associated challenges in their physical interpretation. Finally, we extend the two-component methods to relativistic Hamiltonians, which is the proper setting for describing spin-orbit driven phenomena. We describe the first implementation of the explicit time propagation of relativistic two-component methods and how this may be used to capture spin-forbidden states in electronic absorption spectra. In the second half, we describe the extension of explicitly time-propagated wave functions to the simulation of chiroptical properties, namely circular dichroism (CD) spectra of chiral molecules. Natural circular dichroism, that is, CD in the absence of magnetic fields, originates in the broken parity symmetry of chiral molecules. This proves to be an efficient method for computing circular dichroism spectra for high density-of-states chiral molecules. Next, we explore the impact of allowing nuclear motion on electronic absorption spectra within the context of mixed quantum-classical dynamics. We show that nuclear motion modulates the electronic response, and this gives rise to infrared absorption as well as Raman scattering phenomena in the computed dynamic polarizability. Finally, we explore the accuracy of several perturbative approximations to the equation-of-motion coupled-cluster methods for the efficient and accurate prediction of electronic absorption spectra.

Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation Theory at a Significantly Reduced Computational Cost.

PubMed

Wilbraham, Liam; Verma, Pragya; Truhlar, Donald G; Gagliardi, Laura; Ciofini, Ilaria

2017-05-04

The spin-state orderings in nine Fe(II) and Fe(III) complexes with ligands of diverse ligand-field strength were investigated with multiconfiguration pair-density functional theory (MC-PDFT). The performance of this method was compared to that of complete active space second-order perturbation theory (CASPT2) and Kohn-Sham density functional theory. We also investigated the dependence of CASPT2 and MC-PDFT results on the size of the active-space. MC-PDFT reproduces the CASPT2 spin-state ordering, the dependence on the ligand field strength, and the dependence on active space at a computational cost that is significantly reduced as compared to CASPT2.

Coherent Two-Dimensional Terahertz Magnetic Resonance Spectroscopy of Collective Spin Waves.

PubMed

Lu, Jian; Li, Xian; Hwang, Harold Y; Ofori-Okai, Benjamin K; Kurihara, Takayuki; Suemoto, Tohru; Nelson, Keith A

2017-05-19

We report a demonstration of two-dimensional (2D) terahertz (THz) magnetic resonance spectroscopy using the magnetic fields of two time-delayed THz pulses. We apply the methodology to directly reveal the nonlinear responses of collective spin waves (magnons) in a canted antiferromagnetic crystal. The 2D THz spectra show all of the third-order nonlinear magnon signals including magnon spin echoes, and 2-quantum signals that reveal pairwise correlations between magnons at the Brillouin zone center. We also observe second-order nonlinear magnon signals showing resonance-enhanced second-harmonic and difference-frequency generation. Numerical simulations of the spin dynamics reproduce all of the spectral features in excellent agreement with the experimental 2D THz spectra.

On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhendong; Xiao, Yunlong; Liu, Wenjian, E-mail: liuwjbdf@gmail.com

2014-08-07

The idea for separating the algebraic exact two-component (X2C) relativistic Hamiltonians into spin-free (sf) and spin-dependent terms [Z. Li, Y. Xiao, and W. Liu, J. Chem. Phys. 137, 154114 (2012)] is extended to both electric and magnetic molecular properties. Taking the spin-free terms (which are correct to infinite order in α ≈ 1/137) as zeroth order, the spin-dependent terms can be treated to any desired order via analytic derivative technique. This is further facilitated by unified Sylvester equations for the response of the decoupling and renormalization matrices to single or multiple perturbations. For practical purposes, explicit expressions of order α{supmore » 2} in spin are also given for electric and magnetic properties, as well as two-electron spin-orbit couplings. At this order, the response of the decoupling and renormalization matrices is not required, such that the expressions are very compact and completely parallel to those based on the Breit-Pauli (BP) Hamiltonian. However, the former employ sf-X2C wave functions, whereas the latter can only use nonrelativistic wave functions. As the sf-X2C terms can readily be interfaced with any nonrelativistic program, the implementation of the O(α{sup 2}) spin-orbit corrections to sf-X2C properties requires only marginal revisions of the routines for evaluating the BP type of corrections.« less

On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties

NASA Astrophysics Data System (ADS)

Li, Zhendong; Xiao, Yunlong; Liu, Wenjian

2014-08-01

The idea for separating the algebraic exact two-component (X2C) relativistic Hamiltonians into spin-free (sf) and spin-dependent terms [Z. Li, Y. Xiao, and W. Liu, J. Chem. Phys. 137, 154114 (2012)] is extended to both electric and magnetic molecular properties. Taking the spin-free terms (which are correct to infinite order in α ≈ 1/137) as zeroth order, the spin-dependent terms can be treated to any desired order via analytic derivative technique. This is further facilitated by unified Sylvester equations for the response of the decoupling and renormalization matrices to single or multiple perturbations. For practical purposes, explicit expressions of order α2 in spin are also given for electric and magnetic properties, as well as two-electron spin-orbit couplings. At this order, the response of the decoupling and renormalization matrices is not required, such that the expressions are very compact and completely parallel to those based on the Breit-Pauli (BP) Hamiltonian. However, the former employ sf-X2C wave functions, whereas the latter can only use nonrelativistic wave functions. As the sf-X2C terms can readily be interfaced with any nonrelativistic program, the implementation of the O(α ^2) spin-orbit corrections to sf-X2C properties requires only marginal revisions of the routines for evaluating the BP type of corrections.

Scale dependencies of proton spin constituents with a nonperturbative αs

NASA Astrophysics Data System (ADS)

Jia, Shaoyang; Huang, Feng

2012-11-01

By introducing the contribution from dynamically generated gluon mass, we present a brand new parametrized form of QCD beta function to get an inferred limited running behavior of QCD coupling constant αs. This parametrized form is regarded as an essential factor to determine the scale dependencies of the proton spin constituents at the very low scale. In order to compare with experimental results directly, we work within the gauge-invariant framework to decompose the proton spin. Utilizing the updated next-to-next-leading-order evolution equations for angular momentum observables within a modified minimal subtraction scheme, we indicate that gluon contribution to proton spin cannot be ignored. Specifically, by assuming asymptotic limits of the total quark/gluon angular momentum valid, respectively, the scale dependencies of quark angular momentum Jq and gluon angular momentum Jg down to Q2˜1GeV2 are presented, which are comparable with the preliminary analysis of deeply virtual Compton scattering experiments by HERMES and JLab. After solving scale dependencies of quark spin ΔΣq, orbital angular momenta of quarks Lq are given by subtraction, presenting a holistic picture of proton spin partition within up and down quarks at a low scale.

Current density tensors

NASA Astrophysics Data System (ADS)

Lazzeretti, Paolo

2018-04-01

It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.

The Aerodynamic Forces and Moments Exerted on a Spinning Model of the NY-1 Airplane as Measured by the Spinning Balance

NASA Technical Reports Server (NTRS)

Bamber, M J; Zimmerm, N, C h

1934-01-01

A preliminary investigation of the effects of changes in the elevator and rudder settings and of small changes in attitude upon the aerodynamic forces and moments exerted upon a spinning airplane was undertaken with the spinning balance in the 5-foot vertical tunnel of the National Advisory Committee for Aeronautics. The tests were made on a 1/12-scale model of the ny-1 airplane. Data by which to fix the attitude, the radius of spin, and the rotational and air velocities were taken from recorded spins of the full-scale airplane. Two spinning conditions were investigated. All six components of the aerodynamic reaction were measured and are presented in coefficient form refereed to airplane axes. The results indicate that the change in yawing moment produced by the rudder with the elevator up was the only component of force or moment produced by the elevator and rudder that could not have been balanced in an actual spin by small changes in attitude and angular velocity.

Zero-temperature quantum annealing bottlenecks in the spin-glass phase.

PubMed

Knysh, Sergey

2016-08-05

A promising approach to solving hard binary optimization problems is quantum adiabatic annealing in a transverse magnetic field. An instantaneous ground state-initially a symmetric superposition of all possible assignments of N qubits-is closely tracked as it becomes more and more localized near the global minimum of the classical energy. Regions where the energy gap to excited states is small (for instance at the phase transition) are the algorithm's bottlenecks. Here I show how for large problems the complexity becomes dominated by O(log N) bottlenecks inside the spin-glass phase, where the gap scales as a stretched exponential. For smaller N, only the gap at the critical point is relevant, where it scales polynomially, as long as the phase transition is second order. This phenomenon is demonstrated rigorously for the two-pattern Gaussian Hopfield model. Qualitative comparison with the Sherrington-Kirkpatrick model leads to similar conclusions.

Analytic renormalized bipartite and tripartite quantum discords with quantum phase transition in XXZ spins chain

NASA Astrophysics Data System (ADS)

Joya, Wajid; Khan, Salman; Khalid Khan, M.; Alam, Sher

2017-05-01

The behavior of bipartite quantum discord (BQD) and tripartite quantum discord (TQD) in the Heisenberg XXZ spins chain is investigated with the increasing size of the system using the approach of the quantum renormalization group method. Analytical relations for both BQD and TQD are obtained and the results are checked through numerical optimization. In the thermodynamics limit, both types of discord exhibit quantum phase transition (QPT). The boundary of QPT links the phases of saturated discord and zero discord. The first derivative of both discords becomes discontinuous at the critical point, which corresponds to the second-order phase transition. Qualitatively identical, the amount of saturated BQD strongly depends on the relative positions of spins inside a block. TQD can be a better candidate than BQD both for analyzing QPT and implementing quantum information tasks. The scaling behavior in the vicinity of the critical point is discussed.

Chaotic nature of the spin-glass phase

NASA Technical Reports Server (NTRS)

Bray, A. J.; Moore, M. A.

1987-01-01

The microscopic structure of the ordered phase of spin glasses is investigated theoretically in the framework of the T = 0 fixed-point model (McMillan, 1984; Fisher and Huse, 1986; and Bray and Moore, 1986). The sensitivity of the ground state to changes in the interaction strengths at T = 0 is explored, and it is found that for sufficiently large length scales the ground state is unstable against arbitrarily weak perturbations to the bonds. Explicit results are derived for d = 1, and the implications for d = 2 and d = 3 are considered in detail. It is concluded that there is no hidden order pattern for spin glasses at all T less than T(C), the ordered-phase spin correlations being chaotic functions of spin separation at fixed temperature or of temperature (for a given pair of spins) at scale lengths L greater than (T delta T) exp -1/zeta, where zeta = d(s)/2 - y, d(s) is the interfacial fractal dimension, and -y is the thermal eigenvalue at T = 0.

Tidal evolution of close binary asteroid systems

NASA Astrophysics Data System (ADS)

Taylor, Patrick A.; Margot, Jean-Luc

2010-12-01

We provide a generalized discussion of tidal evolution to arbitrary order in the expansion of the gravitational potential between two spherical bodies of any mass ratio. To accurately reproduce the tidal evolution of a system at separations less than 5 times the radius of the larger primary component, the tidal potential due to the presence of a smaller secondary component is expanded in terms of Legendre polynomials to arbitrary order rather than truncated at leading order as is typically done in studies of well-separated system like the Earth and Moon. The equations of tidal evolution including tidal torques, the changes in spin rates of the components, and the change in semimajor axis (orbital separation) are then derived for binary asteroid systems with circular and equatorial mutual orbits. Accounting for higher-order terms in the tidal potential serves to speed up the tidal evolution of the system leading to underestimates in the time rates of change of the spin rates, semimajor axis, and mean motion in the mutual orbit if such corrections are ignored. Special attention is given to the effect of close orbits on the calculation of material properties of the components, in terms of the rigidity and tidal dissipation function, based on the tidal evolution of the system. It is found that accurate determinations of the physical parameters of the system, e.g., densities, sizes, and current separation, are typically more important than accounting for higher-order terms in the potential when calculating material properties. In the scope of the long-term tidal evolution of the semimajor axis and the component spin rates, correcting for close orbits is a small effect, but for an instantaneous rate of change in spin rate, semimajor axis, or mean motion, the close-orbit correction can be on the order of tens of percent. This work has possible implications for the determination of the Roche limit and for spin-state alteration during close flybys.

Ordering and Excitations in the Field-Induced Magnetic Phase of Cs3Cr2Br9

NASA Astrophysics Data System (ADS)

Grenier, Beatrice

2006-03-01

Cs3Cr2Br9 is an interesting example of interacting spin-dimer system. As in other isotropic antiferromagnets such as Haldane or alternating chains and ladders, the ground state in zero field is a total spin singlet separated from the excited triplet by an energy gap. In a magnetic field H, a phase transition occurs at a critical field Hc1, where the gap to the lowest component of the Zeeman-split triplet closes. Above Hc1, field-induced magnetic order (FIMO) for spin components perpendicular to H is induced by inter-dimer or inter-chain couplings. The FIMO transition may be considered as a Bose-Einstein Condensation. Cs3Cr2Br9 differs from other dimer systems currently studied (e.g. PHCC, TlCuCl3) in two main ways: each Cr^3+ ion of the dimer has spin 3/2 rather than 1/2 for Cu-based systems and the arrangement of the dimers is hexagonal. This gives rise to anisotropy and frustration in a 3D lattice, respectively. The possibility of studying the magnetic ordering and the spin dynamics in a FIMO with sufficient detail to bring out features of frustration and anisotropy motivated the present neutron scattering study in Cs3Cr2Br9*. Two field orientations have been exploited, perpendicular and parallel to the easy axis c (direction of the dimers). First, I present the diffraction study: the FIMO displays large hysteresis incommensurability, showing the importance of frustration. The impact of anisotropy is seen in the magnetic structure, whose nature strongly depends on the field direction. Second, I focus on spin dynamics: it quantifies the presence of anisotropy and shows its crucial role on the energy gap at Hc1, which is measurably open or not, depending on whether H is perpendicular or parallel to c. Third, an explanation is proposed for the large value of the gap at higher field: it involves the mixing of higher order states (extended-FIMO), reflected by the absence of magnetization plateaus. Comparison with the sister Cs3Cr2Cl9 compound provides a test of this hypothesis. *B. Grenier et al., Phys. Rev. Lett. 92, 177202 (2004)

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.

PubMed

Egidi, Franco; Sun, Shichao; Goings, Joshua J; Scalmani, Giovanni; Frisch, Michael J; Li, Xiaosong

2017-06-13

We present a linear response formalism for the description of the electronic excitations of a noncollinear reference defined via Kohn-Sham spin density functional methods. A set of auxiliary variables, defined using the density and noncollinear magnetization density vector, allows the generalization of spin density functional kernels commonly used in collinear DFT to noncollinear cases, including local density, GGA, meta-GGA and hybrid functionals. Working equations and derivations of functional second derivatives with respect to the noncollinear density, required in the linear response noncollinear TDDFT formalism, are presented in this work. This formalism takes all components of the spin magnetization into account independent of the type of reference state (open or closed shell). As a result, the method introduced here is able to afford a nonzero local xc torque on the spin magnetization while still satisfying the zero-torque theorem globally. The formalism is applied to a few test cases using the variational exact-two-component reference including spin-orbit coupling to illustrate the capabilities of the method.

Free-Spinning-Tunnel Investigation to Determine the Effect of Spin-Recovery Rockets and Thrust Simulation on the Recovery Characteristics of a 1/21-Scale Model of the Chance Vought F7U-3 Airplane, TED No. NACA AD 3103

NASA Technical Reports Server (NTRS)

Burk, Sanger H., Jr.; Healy, Frederick M.

1955-01-01

An investigation of a l/21-scale model of the Chance Vought F7U-3 airplane in the co&at-load- condition has been conducted in the Langley 20-foot free-spinning tunnel, The recovery characteristics of the model were determined by use of spin-recovery rockets for the erect and inverted spinning condition. The rockets were so placed as to provide either a yawing or rolling moment about the model center of gravity. Also included in the investigation were tests to determine the effect of simulated engine thrust on the recovery characteristics of the model. On the basis of model tests, recoveries from erect and inverted spins were satisfactory when a yawing moment of 22,200 foot-pounds (full scale) was provided against the spin by rockets attached to the wing tips; the anti-spin yawing moment was applied for approximately 9 seconds, (full scale). Satisfactory recoveries were obtained from erect spins when a rolling moment of 22,200 foot-pounds (full scale) was provided with the spin (rolls right wing down in right spin). Although the inverted spin was satisfactorily terminated when a rolling moment of equal magnitude was provided, a roll rocket was not considered to be an optimum spin-recovery device to effect recoveries from inverted spins for this airplane because of resulting gyrations during spin recovery. Simulation of engine thrust had no apparent effect on the spin recovery characteristics.

Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects

NASA Astrophysics Data System (ADS)

Demissie, Taye B.

2017-11-01

The NMR chemical shifts and indirect spin-spin coupling constants of 12 molecules containing 29Si, 73Ge, 119Sn, and 207Pb [X(CCMe)4, Me2X(CCMe)2, and Me3XCCH] are presented. The results are obtained from non-relativistic as well as two- and four-component relativistic density functional theory (DFT) calculations. The scalar and spin-orbit relativistic contributions as well as the total relativistic corrections are determined. The main relativistic effect in these molecules is not due to spin-orbit coupling but rather to the scalar relativistic contraction of the s-shells. The correlation between the calculated and experimental indirect spin-spin coupling constants showed that the four-component relativistic density functional theory (DFT) approach using the Perdew's hybrid scheme exchange-correlation functional (PBE0; using the Perdew-Burke-Ernzerhof exchange and correlation functionals) gives results in good agreement with experimental values. The indirect spin-spin coupling constants calculated using the spin-orbit zeroth order regular approximation together with the hybrid PBE0 functional and the specially designed J-coupling (JCPL) basis sets are in good agreement with the results obtained from the four-component relativistic calculations. For the coupling constants involving the heavy atoms, the relativistic corrections are of the same order of magnitude compared to the non-relativistically calculated results. Based on the comparisons of the calculated results with available experimental values, the best results for all the chemical shifts and non-existing indirect spin-spin coupling constants for all the molecules are reported, hoping that these accurate results will be used to benchmark future DFT calculations. The present study also demonstrates that the four-component relativistic DFT method has reached a level of maturity that makes it a convenient and accurate tool to calculate indirect spin-spin coupling constants of "large" molecular systems involving heavy atoms.

Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian.

PubMed

Seino, Junji; Nakai, Hiromi

2012-06-28

An accurate and efficient scheme for two-component relativistic calculations at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level is presented. The present scheme, termed local unitary transformation (LUT), is based on the locality of the relativistic effect. Numerical assessments of the LUT scheme were performed in diatomic molecules such as HX and X(2) (X = F, Cl, Br, I, and At) and hydrogen halide clusters, (HX)(n) (X = F, Cl, Br, and I). Total energies obtained by the LUT method agree well with conventional IODKH results. The computational costs of the LUT method are drastically lower than those of conventional methods since in the former there is linear-scaling with respect to the system size and a small prefactor.

What can we learn about dispersion from the conformer surface of n-pentane?

PubMed

Martin, Jan M L

2013-04-11

In earlier work [Gruzman, D. ; Karton, A.; Martin, J. M. L. J. Phys. Chem. A 2009, 113, 11974], we showed that conformer energies in alkanes (and other systems) are highly dispersion-driven and that uncorrected DFT functionals fail badly at reproducing them, while simple empirical dispersion corrections tend to overcorrect. To gain greater insight into the nature of the phenomenon, we have mapped the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit. The data obtained have been decomposed by order of perturbation theory, excitation level, and same-spin vs opposite-spin character. A large number of approximate electronic structure methods have been considered, as well as several empirical dispersion corrections. Our chief conclusions are as follows: (a) the effect of dispersion is dominated by same-spin correlation (or triplet-pair correlation, from a different perspective); (b) singlet-pair correlation is important for the surface, but qualitatively very dissimilar to the dispersion component; (c) single and double excitations beyond third order are essentially unimportant for this surface; (d) connected triple excitations do play a role but are statistically very similar to the MP2 singlet-pair correlation; (e) the form of the damping function is crucial for good performance of empirical dispersion corrections; (f) at least in the lower-energy regions, SCS-MP2 and especially MP2.5 perform very well; (g) novel spin-component scaled double hybrid functionals such as DSD-PBEP86-D2 acquit themselves very well for this problem.

"Spin-dependent" \\varvec{μ → e} conversion on light nuclei

NASA Astrophysics Data System (ADS)

Davidson, Sacha; Kuno, Yoshitaka; Saporta, Albert

2018-02-01

The experimental sensitivity to μ → e conversion will improve by four or more orders of magnitude in coming years, making it interesting to consider the "spin-dependent" (SD) contribution to the rate. This process does not benefit from the atomic-number-squared enhancement of the spin-independent (SI) contribution, but probes different operators. We give details of our recent estimate of the spin-dependent rate, expressed as a function of operator coefficients at the experimental scale. Then we explore the prospects for distinguishing coefficients or models by using different targets, both in an EFT perspective, where a geometric representation of different targets as vectors in coefficient space is introduced, and also in three leptoquark models. It is found that comparing the rate on isotopes with and without spin could allow one to detect spin-dependent coefficients that are at least a factor of few larger than the spin-independent ones. Distinguishing among the axial, tensor and pseudoscalar operators that induce the SD rate would require calculating the nuclear matrix elements for the second two. Comparing the SD rate on nuclei with an odd proton vs. odd neutron could allow one to distinguish operators involving u quarks from those involving d quarks; this is interesting because the distinction is difficult to make for SI operators.

A unified stochastic formulation of dissipative quantum dynamics. II. Beyond linear response of spin baths

NASA Astrophysics Data System (ADS)

Hsieh, Chang-Yu; Cao, Jianshu

2018-01-01

We use the "generalized hierarchical equation of motion" proposed in Paper I [C.-Y. Hsieh and J. Cao, J. Chem. Phys. 148, 014103 (2018)] to study decoherence in a system coupled to a spin bath. The present methodology allows a systematic incorporation of higher-order anharmonic effects of the bath in dynamical calculations. We investigate the leading order corrections to the linear response approximations for spin bath models. Two kinds of spin-based environments are considered: (1) a bath of spins discretized from a continuous spectral density and (2) a bath of localized nuclear or electron spins. The main difference resides with how the bath frequency and the system-bath coupling parameters are distributed in an environment. When discretized from a continuous spectral density, the system-bath coupling typically scales as ˜1 /√{NB } where NB is the number of bath spins. This scaling suppresses the non-Gaussian characteristics of the spin bath and justifies the linear response approximations in the thermodynamic limit. For the nuclear/electron spin bath models, system-bath couplings are directly deduced from spin-spin interactions and do not necessarily obey the 1 /√{NB } scaling. It is not always possible to justify the linear response approximations in this case. Furthermore, if the spin-spin Hamiltonian is highly symmetrical, there exist additional constraints that generate highly non-Markovian and persistent dynamics that is beyond the linear response treatments.

Improving the distinguishable cluster results: spin-component scaling

NASA Astrophysics Data System (ADS)

Kats, Daniel

2018-06-01

The spin-component scaling is employed in the energy evaluation to improve the distinguishable cluster approach. SCS-DCSD reaction energies reproduce reference values with a root-mean-squared deviation well below 1 kcal/mol, the interaction energies are three to five times more accurate than DCSD, and molecular systems with a large amount of static electron correlation are still described reasonably well. SCS-DCSD represents a pragmatic approach to achieve chemical accuracy with a simple method without triples, which can also be applied to multi-configurational molecular systems.

The mass-zero spin-two field and gravitational theory.

NASA Technical Reports Server (NTRS)

Coulter, C. A.

1972-01-01

Demonstration that the conventional theory of the mass-zero spin-two field with sources introduces extraneous nonspin-two field components in source regions and fails to be covariant under the full or restricted conformal group. A modified theory is given, expressed in terms of the physical components of mass-zero spin-two field rather than in terms of 'potentials,' which has no extraneous components inside or outside sources, and which is covariant under the full conformal group. For a proper choice of source term, this modified theory has the correct Newtonian limit and automatically implies that a symmetric second-rank source tensor has zero divergence. It is shown that possibly a generally covariant form of the spin-two theory derived here can be constructed to agree with general relativity in all currently accessible experimental situations.

Observation of a second metastable spin-ordered state in ferrimagnet Cu2OSeO3

NASA Astrophysics Data System (ADS)

Huang, C. L.; Tseng, K. F.; Chou, C. C.; Mukherjee, S.; Her, J. L.; Matsuda, Y. H.; Kindo, K.; Berger, H.; Yang, H. D.

2011-02-01

dc and ac magnetization measurements were performed on single-crystal Cu2OSeO3 under magnetic field (H) and hydrostatic pressure (P) conditions. Increasing H shifts the ferrimagnetic transition observed at TC~60 K to a higher-temperature region. Moreover, the TC increases linearly and magnetization is enhanced with P. Features of the ladder in the M-vs-H curve or the peak in the dM/dH-vs-H curve are observed at HSF~0.5 kOe, suggesting a competing ordered state under magnetic fields below TC. Remarkably, a second shoulder is observed at ˜1 kOe in the dM/dH-vs-H curve, revealing another metastable spin-ordered state in Cu2OSeO3. This state is retained and enhanced by applying pressure. As H rises to 55 T, no further slope changes in the M-H curve are observed. These magnetic properties indicate a complex spin orientation in the geometrically spin-frustrated system Cu2OSeO3.

Finite-size scaling and integer-spin Heisenberg chains

NASA Astrophysics Data System (ADS)

Bonner, Jill C.; Müller, Gerhard

1984-03-01

Finite-size scaling (phenomenological renormalization) techniques are trusted and widely applied in low-dimensional magnetism and, particularly, in lattice gauge field theory. Recently, investigations have begun which subject the theoretical basis to systematic and intensive scrutiny to determine the validity of finite-size scaling in a variety of situations. The 2D ANNNI model is an example of a situation where finite-size scaling methods encounter difficulty, related to the occurrence of a disorder line (one-dimensional line). A second example concerns the behavior of the spin-1/2 antiferromagnetic XXZ model where the T=0 critical behavior is exactly known and features an essential singularity at the isotropic Heisenberg point. Standard finite-size scaling techniques do not convincingly reproduce the exact phase behavior and this is attributable to the essential singularity. The point is relevant in connection with a finite-size scaling analysis of a spin-one antiferromagnetic XXZ model, which claims to support a conjecture by Haldane that the T=0 phase behavior of integer-spin Heisenberg chains is significantly different from that of half-integer-spin Heisenberg chains.

Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burns, Lori A.; Marshall, Michael S.; Sherrill, C. David, E-mail: sherrill@gatech.edu

2014-12-21

A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracymore » and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.« less

Coherent spin control of a nanocavity-enhanced qubit in diamond

DOE PAGES

Li, Luozhou; Lu, Ming; Schroder, Tim; ...

2015-01-28

A central aim of quantum information processing is the efficient entanglement of multiple stationary quantum memories via photons. Among solid-state systems, the nitrogen-vacancy centre in diamond has emerged as an excellent optically addressable memory with second-scale electron spin coherence times. Recently, quantum entanglement and teleportation have been shown between two nitrogen-vacancy memories, but scaling to larger networks requires more efficient spin-photon interfaces such as optical resonators. Here we report such nitrogen-vacancy nanocavity systems in strong Purcell regime with optical quality factors approaching 10,000 and electron spin coherence times exceeding 200 µs using a silicon hard-mask fabrication process. This spin-photon interfacemore » is integrated with on-chip microwave striplines for coherent spin control, providing an efficient quantum memory for quantum networks.« less

Lorentzian symmetry predicts universality beyond scaling laws

NASA Astrophysics Data System (ADS)

Watson, Stephen J.

2017-06-01

We present a covariant theory for the ageing characteristics of phase-ordering systems that possess dynamical symmetries beyond mere scalings. A chiral spin dynamics which conserves the spin-up (+) and spin-down (-) fractions, μ+ and μ- , serves as the emblematic paradigm of our theory. Beyond a parabolic spatio-temporal scaling, we discover a hidden Lorentzian dynamical symmetry therein, and thereby prove that the characteristic length L of spin domains grows in time t according to L = \\fracβ{\\sqrt{1 - σ^2}}t\\frac{1{2}} , where σ:= μ+ - μ- (the invariant spin-excess) and β is a universal constant. Furthermore, the normalised length distributions of the spin-up and the spin-down domains each provably adopt a coincident universal (σ-independent) time-invariant form, and this supra-universal probability distribution is empirically verified to assume a form reminiscent of the Wigner surmise.

Investigation of half-quantized fluxoid states in strontium ruthenate mesoscopic superconducting rings

NASA Astrophysics Data System (ADS)

Jang, Joonho

Spin-triplet superconductors can support exotic objects, such as chiral edge currents and half-quantum vortices (HQVs) characterized by the nontrivial winding of the spin structure. In this dissertation, we present cantilever magnetometry measurements performed on mesoscopic samples of Sr2RuO 4, a spin-triplet superconductor. Satisfying the total anti-symmetric property of the Cooper pair wave function, Sr2RuO4 is theoretically suggested to have angular momentum L = 1 and form domain structure with px +/- ipy order parameter that corresponds to Lz = +/-1. For micron-size samples, only a few number of domains would exist and signatures of domain walls and edge currents are expected to be measurable with current sensitivity. From the measurements of fluctuations of magnetic signal and the signatures of vortex entries, we found no evidence to support broken time-reversal symmetry (TRS) in these crystals. We argue that various scenarios exist to explain the negative result while still assuming the TRS breaking chiral order parameter. Also, micron-size annular-shaped Sr2RuO4 crystals were used to observe transitions between fluxoid states. Our observation of half-integer transitions is consistent with the existence of HQVs in a spin-triplet superconductor. Stability of the half states with an in-plane magnetic field is explained by the spin polarization in consequence of a differential phase winding of up and down spin components. These spin and charge dynamics can also be revealed in the current response to phase winding across a weak-link junction. The junctions were fabricated within ring geometry. The phase is varied by the external magnetic field and the current is calculated by measuring the magnetic moments of the ring. The current response shows second harmonics when the in-plane magnetic field is applied, and the data are successfully fitted when Gibbs free energy is expressed with additional spin degree of freedom. Our observations are consistent with spin-triplet pairing of the Sr 2RuO4, while requiring more investigations to confirm px +/- ipy order parameter in the crystal.

Model of quantum kinetics of spin-orbit coupled two-dimensional electron gas in the presence of strong electromagnetic field

NASA Astrophysics Data System (ADS)

Turkin, Yaroslav V.; Kuptsov, Pavel V.

2018-04-01

A quantum model of spin dynamics of spin-orbit coupled two-dimensional electron gas in the presence of strong high- frequency electromagnetic field is suggested. Interaction of electrons with optical phonons is taken into account in the second order of perturbation theory.

Computations of the chirality-sensitive effect induced by an antisymmetric indirect spin–spin coupling

NASA Astrophysics Data System (ADS)

Garbacz, Piotr

2018-05-01

Results of quantum mechanical computations of the antisymmetric part of the indirect spin-spin coupling tensor, ?, performed using the coupled-cluster method, the second-order polarisation propagator approximation, and the density functional theory for 25 molecules and nearly 100 spin-spin couplings are reported. These results are used for an estimation of the magnitude of the recently proposed liquid-state nuclear magnetic resonance chirality-sensitive effect, which allows to determine the molecular chirality directly, i.e. without the need for the application of any chiral agent. The following were found: (i) the antisymmetry J⋆ is usually larger for the coupling between spins separated by two chemical bonds in comparison with the coupling through one bond, (ii) promising samples are those which contain fluorine, and (iii) the antisymmetry of the spin-spin coupling tensor is of the order of a few hertz for commercially available chemical compounds. Therefore, the relevant property of the experiment, the pseudoscalar Jc, for them is of the order of 1 nHz m/V.

Spin-lattice coupling mediated multiferroicity in (ND 4) 2FeCl 5 • D 2O

DOE PAGES

Tian, Wei; Cao, Huibo; Wang, Jincheng; ...

2016-12-07

In this paper, we report a neutron diffraction study of the multiferroic mechanism in (ND 4) 2FeCl 5 • D 2O, a molecular compound that exhibits magnetically induced ferroelectricity. This material exhibits two successive magnetic transitions on cooling: a long-range order transition to an incommensurate (IC) collinear sinusoidal spin state at T N = 7.3 K, followed by a second transition to an IC cycloidal spin state at T FE = 6.8 K, the latter of which is accompanied by spontaneous ferroelectric polarization. The cycloid structure is strongly distorted by spin-lattice coupling, as evidenced by the observations of both oddmore » and even higher-order harmonics associated with the cycloid wave vector, and a weak commensurate phase that coexists with the IC phase. The second-order harmonic appears at T FE, thereby providing unambiguous evidence that the onset of the electric polarization is accompanied by a lattice modulation due to spin-lattice interaction. The neutron results, in conjunction with the negative thermal expansion and large magnetostriction observed, indicate that spin-lattice coupling plays a critical role in the ferroelectric mechanism of (ND 4) 2FeCl 5 • D 2O.« less

Second order nonlinear equations of motion for spinning highly flexible line-elements. [for spacecraft solar sail

NASA Technical Reports Server (NTRS)

Salama, M.; Trubert, M.

1979-01-01

A formulation is given for the second order nonlinear equations of motion for spinning line-elements having little or no intrinsic structural stiffness. Such elements have been employed in recent studies of structural concepts for future large space structures such as the Heliogyro solar sailer. The derivation is based on Hamilton's variational principle and includes the effect of initial geometric imperfections (axial, curvature, and twist) on the line-element dynamics. For comparison with previous work, the nonlinear equations are reduced to a linearized form frequently found in the literature. The comparison has revealed several new spin-stiffening terms that have not been previously identified and/or retained. They combine geometric imperfections, rotary inertia, Coriolis, and gyroscopic terms.

Optical Signature Analysis of Tumbling Rocket Bodies via Laboratory Measurements

NASA Technical Reports Server (NTRS)

Cowardin, H.; Lederer, S.; Liou, J.-C.

2012-01-01

The NASA Orbital Debris Program Office has acquired telescopic lightcurve data on massive intact objects, specifically spent rocket bodies, in order to ascertain tumble rates in support of the Active Debris Removal (ADR) task to help remediate the LEO environment. Rotation rates are needed to plan and develop proximity operations for potential future ADR operations. To better characterize and model optical data acquired from ground-based telescopes, the Optical Measurements Center (OMC) at NASA/JSC emulates illumination conditions in space using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. The OMC employs a 75-watt Xenon arc lamp as a solar simulator, an SBIG CCD camera with standard Johnson/Bessel filters, and a robotic arm to simulate an object's position and rotation. The light source is mounted on a rotary arm, allowing access any phase angle between 0 -- 360 degrees. The OMC does not attempt to replicate the rotation rates, but focuses on how an object is rotating as seen from multiple phase angles. The two targets studied are scaled (1:48), SL-8 Cosmos 3M second stages. The first target is painted in the standard government "gray" scheme and the second target is primary white, as used for commercial missions. This paper summarizes results of the two scaled rocket bodies, each rotated about two primary axes: (a) a spin-stabilized rotation and (b) an end-over-end rotation. The two rotation states are being investigated as a basis for possible spin states of rocket bodies, beginning with simple spin states about the two primary axes. The data will be used to create a database of potential spin states for future works to convolve with more complex spin states. The optical signatures will be presented for specific phase angles for each rocket body and shown in conjunction with acquired optical data from multiple telescope sources.

Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal

NASA Astrophysics Data System (ADS)

Reshak, A. H.

2017-04-01

The spin-polarized second harmonic generation (SHG) of the recently synthesized CaCoSO single crystal is performed based on the calculated electronic band structure. The calculation reveals that the spin-up (↑) channel of CaCoSO possesses a direct energy gap (Γv-Γc) of about 2.187 eV, 1.187 eV (Kv-Kc) for the spin-down (↓) channel and an indirect gap (Γv-Kc) of about 0.4 eV for the spin-polarized CaCoSO single crystal. The linear optical properties obtained reveal that the recently synthesized crystal exhibits considerable anisotropy with negative uniaxial anisotropy and birefringence favor to enhance the SHG. We have calculated the three non-zero tensor components of the SHG and found the is the dominat component, one with a large SHG of about (d33 = 6.936 pm/V at λ = 1064 nm), the half value of KTiOPO4 (KTP). As the values of (↑) < (↓) < spin-polarized are related to the values of the energy gap of (↑) 2.187 eV> (↓) 1.187 eV> spin-polarized gap 0.4 eV therefore, a smaller energy gap gives better SHG performance. Furthermore, the microscopic first hyperpolarizability, βijk, is calculated.

Second-order differential equations for bosons with spin j ≥ 1 and in the bases of general tensor-spinors of rank 2j

NASA Astrophysics Data System (ADS)

Banda Guzmán, V. M.; Kirchbach, M.

2016-09-01

A boson of spin j≥ 1 can be described in one of the possibilities within the Bargmann-Wigner framework by means of one sole differential equation of order twice the spin, which however is known to be inconsistent as it allows for non-local, ghost and acausally propagating solutions, all problems which are difficult to tackle. The other possibility is provided by the Fierz-Pauli framework which is based on the more comfortable to deal with second-order Klein-Gordon equation, but it needs to be supplemented by an auxiliary condition. Although the latter formalism avoids some of the pathologies of the high-order equations, it still remains plagued by some inconsistencies such as the acausal propagation of the wave fronts of the (classical) solutions within an electromagnetic environment. We here suggest a method alternative to the above two that combines their advantages while avoiding the related difficulties. Namely, we suggest one sole strictly D^{(j,0)oplus (0,j)} representation specific second-order differential equation, which is derivable from a Lagrangian and whose solutions do not violate causality. The equation under discussion presents itself as the product of the Klein-Gordon operator with a momentum-independent projector on Lorentz irreducible representation spaces constructed from one of the Casimir invariants of the spin-Lorentz group. The basis used is that of general tensor-spinors of rank 2 j.

Role of spin-orbit coupling in the Kugel-Khomskii model on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Koga, Akihisa; Nakauchi, Shiryu; Nasu, Joji

2018-03-01

We study the effective spin-orbital model for honeycomb-layered transition metal compounds, applying the second-order perturbation theory to the three-orbital Hubbard model with the anisotropic hoppings. This model is reduced to the Kitaev model in the strong spin-orbit coupling limit. Combining the cluster mean-field approximations with the exact diagonalization, we treat the Kugel-Khomskii type superexchange interaction and spin-orbit coupling on an equal footing to discuss ground-state properties. We find that a zigzag ordered state is realized in the model within nearest-neighbor interactions. We clarify how the ordered state competes with the nonmagnetic state, which is adiabatically connected to the quantum spin liquid state realized in a strong spin-orbit coupling limit. Thermodynamic properties are also addressed. The present paper should provide another route to account for the Kitaev-based magnetic properties in candidate materials.

Magnetic anisotropy in the frustrated spin-chain compound β - TeVO 4

DOE PAGES

Weickert, F.; Harrison, Neil; Scott, Brian Lindley; ...

2016-08-01

In this paper, isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound β-TeVO 4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at T N1 and T N2 toward the spin-density-wavemore » and stripe phases are of the second order, whereas the transition at T N3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J 1-J 2 spin chains with a sizable antiferromagnetic interchain coupling in the bc plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J 1 and J 2 within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Finally, using high-resolution synchrotron diffraction and 125Te nuclear magnetic resonance, we also demonstrate that the crystal structure of β-TeVO 4 does not change down to 10 K, and the orbital state of V 4+ is preserved.« less

Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.

PubMed

Jung, Yousung; Shao, Yihan; Head-Gordon, Martin

2007-09-01

The scaled opposite spin Møller-Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, in a statistical sense, of higher quality than standard MP2 theory, by introducing one empirical parameter. But SOS-MP2 still has a fourth-order scaling step that makes the method inapplicable to very large molecular systems. We reduce the scaling of SOS-MP2 by exploiting the sparsity of expansion coefficients and local integral matrices, by performing local auxiliary basis expansions for the occupied-virtual product distributions. To exploit sparsity of 3-index local quantities, we use a blocking scheme in which entire zero-rows and columns, for a given third global index, are deleted by comparison against a numerical threshold. This approach minimizes sparse matrix book-keeping overhead, and also provides sufficiently large submatrices after blocking, to allow efficient matrix-matrix multiplies. The resulting algorithm is formally cubic scaling, and requires only moderate computational resources (quadratic memory and disk space) and, in favorable cases, is shown to yield effective quadratic scaling behavior in the size regime we can apply it to. Errors associated with local fitting using the attenuated Coulomb metric and numerical thresholds in the blocking procedure are found to be insignificant in terms of the predicted relative energies. A diverse set of test calculations shows that the size of system where significant computational savings can be achieved depends strongly on the dimensionality of the system, and the extent of localizability of the molecular orbitals. Copyright 2007 Wiley Periodicals, Inc.

Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Lecture: The Janus computer, a new window into spin-glass physics

NASA Astrophysics Data System (ADS)

Yllanes, David

2013-03-01

Spin glasses are a longstanding model for the sluggish dynamics that appears at the glass transition. They enjoy a privileged status in this context, as they provide the simplest model system both for theoretical and experimental studies of glassy dynamics. However, in spite of forty years of intensive investigation, spin glasses still pose a formidable challenge to theoretical, computational and experimental physics. The main difficulty lies in their incredibly slow dynamics. A recent breakthrough has been made possible by our custom-built computer, Janus, designed and built in a collaboration formed by five universities in Spain and Italy. By employing a purpose-driven architecture, capable of fully exploiting the parallelization possibilities intrinsic to these simulations, Janus outperforms conventional computers by several orders of magnitude. After a brief introduction to spin glasses, the talk will focus on the new physics unearthed by Janus. In particular, we recall our numerical study of the nonequilibrium dynamics of the Edwards-Anderson Ising Spin Glass, for a time that spans eleven orders of magnitude, thus approaching the experimentally relevant scale (i.e. seconds). We have also studied the equilibrium properties of the spin-glass phase, with an emphasis on the quantitative matching between non-equilibrium and equilibrium correlation functions, through a time-length dictionary. Last but not least, we have clarified the existence of a glass transition in the presence of a magnetic field for a finite-range spin glass (the so-called de Almeida-Thouless line). We will finally mention some of the currently ongoing work of the collaboration, such as the characterization of the non-equilibrium dynamics in a magnetic field and the existence of a statics-dynamics dictionary in these conditions.

Ultrafast Magnetism of Multi-component Ferromagnets and Ferrimagnets on the Time Scale of the Exchange Interaction

NASA Astrophysics Data System (ADS)

Radu, Ilie

2012-02-01

Revealing the ultimate speed limit at which magnetic order can be controlled, is a fundamental challenge of modern magnetism having far reaching implications for the magnetic recording industry [1]. Exchange interaction is the strongest force in magnetism, being ultimately responsible for ferromagnetic or antiferromagnetic spin order. How do spins react after being optically excited on a timescale of or even faster than the exchange interaction? Here, we demonstrate that femtosecond (fs) measurements of ferrimagnetic and ferromagnetic alloys using X-ray magnetic circular dichroism provide revolutionary new insights into the problem of ultrafast magnetism on timescales pertinent to the exchange interaction. In particular, we show that upon fs optical excitation the ultrafast spin reversal of GdFeCo - a material with antiferromagnetic coupling of spins - occurs via a transient ferromagnetic state [2]. The latter emerges due to different dynamics of the Gd and Fe magnetic moments: Gd switches within 1.5 ps while it takes only 300 fs for Fe. Thus, by using a single fs laser pulse one can force the spin system to evolve via an energetically unfavorable way and temporarily switch from an antiferromagnetic to a ferromagnetic type of ordering. In order to understand whether the observation of this temporarily decoupled and element-specific dynamics is a general phenomenon or just something strictly related to the case of ferrimagnetic GdFeCo, we have investigated the demagnetization of the archetypal ferromagnetic NiFe alloys. Essentially, we observe the same distinct magnetization dynamics of the constituent magnetic moments: Ni demagnetizes within ˜300 fs being much faster than the demagnetization of Fe of ˜800 fs. This distinct demagnetization behavior leads to an apparent decoupling of the Fe and Ni magnetic moments on a few hundreds of fs time scale, despite the strong exchange interaction of 260meV (˜16 fs) that couples them. These observations supported by atomistic simulations, present a novel concept of manipulating magnetic order on different classes of magnetic materials on timescales of the exchange interaction [3]. [4pt] [1] A. Kirilyuk, A.V. Kimel and Th. Rasing, Rev. Mod. Phys. 82, 2731 (2010). [0pt] [2] I. Radu et al., Nature 472, 205 (2011). [0pt] [3] I. Radu et al., submitted (2011).

The Lichnerowicz-Weitzenboeck formula and superconductivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vargas-Paredes, Alfredo A.; Doria, Mauro M.; Neto, Jose Abdala Helayeel

2013-01-15

We derive the Lichnerowicz-Weitzenboeck formula for the two-component order parameter superconductor, which provides a twofold view of the kinetic energy of the superconductor. For the one component order parameter superconductor we review the connection between the Lichnerowicz-Weitzenboeck formula and the Ginzburg-Landau theory. For the two-component case we claim that this formula opens a venue to describe inhomogeneous superconducting states intertwined by spin correlations and charged dislocation. In this case the Lichnerowicz-Weitzenboeck formula displays local rotational and electromagnetic gauge symmetry (SU(2) Circled-Times U(1)) and relies on local commuting momentum and spin operators. The order parameter lives in a space with curvaturemore » and torsion described by Elie Cartan geometrical formalism. The Lichnerowickz-Weitzenboeck formula leads to first order differential equations that are a three-dimensional version of the Seiberg-Witten equations.« less

Spin Currents and Spin Orbit Torques in Ferromagnets and Antiferromagnets

NASA Astrophysics Data System (ADS)

Hung, Yu-Ming

This thesis focuses on the interactions of spin currents and materials with magnetic order, e.g., ferromagnetic and antiferromagnetic thin films. The spin current is generated in two ways. First by spin-polarized conduction-electrons associated with the spin Hall effect in heavy metals (HMs) and, second, by exciting spin-waves in ferrimagnetic insulators using a microwave frequency magnetic field. A conduction-electron spin current can be generated by spin-orbit coupling in a heavy non-magnetic metal and transfer its spin angular momentum to a ferromagnet, providing a means of reversing the magnetization of perpendicularly magnetized ultrathin films with currents that flow in the plane of the layers. The torques on the magnetization are known as spin-orbit torques (SOT). In the first part of my thesis project I investigated and contrasted the quasistatic (slowly swept current) and pulsed current-induced switching characteristics of micrometer scale Hall crosses consisting of very thin (<1 nm) perpendicularly magnetized CoFeB layers on beta-Ta. While complete magnetization reversal occurs at a threshold current density in the quasistatic case, pulses with short duration (≤10 ns) and larger amplitude (≃10 times the quasistatic threshold current) lead to only partial magnetization reversal and domain formation. The partial reversal is associated with the limited time for reversed domain expansion during the pulse. The second part of my thesis project studies and considers applications of SOT-driven domain wall (DW) motion in a perpendicularly magnetized ultrathin ferromagnet sandwiched between a heavy metal and an oxide. My experiment results demonstrate that the DW motion can be explained by a combination of the spin Hall effect, which generates a SOT, and Dzyaloshinskii-Moriya interaction, which stabilizes chiral Neel-type DW. Based on SOT-driven DW motion and magnetic coupling between electrically isolated ferromagnetic elements, I proposed a new type of spin logic devices. I then demonstrate the device operation by using micromagnetic modeling which involves studying the magnetic coupling induced by fringe fields from chiral DWs in perpendicularly magnetized nanowires. The last part of my thesis project reports spin transport and spin-Hall magnetoresistance (SMR) in yttrium iron garnet Y3Fe5O 12 (YIG)/NiO/Pt trilayers with varied NiO thickness. To characterize the spin transport through NiO we excite ferromagnetic resonance in YIG with a microwave frequency magnetic field and detect the voltage associated with the inverse spin-Hall effect (ISHE) in the Pt layer. The ISHE signal is found to decay exponentially with the NiO thickness with a characteristic decay length of 3.9 nm. However, in contrast to the ISHE response, as the NiO thickness increases the SMR signal goes towards zero abruptly at a NiO thickness of 4 nm, highlighting the different length scales associated with the spin-transport in NiO and SMR in such trilayers.

A continued fraction resummation form of bath relaxation effect in the spin-boson model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Zhihao; Tang, Zhoufei; Wu, Jianlan, E-mail: jianlanwu@zju.edu.cn

2015-02-28

In the spin-boson model, a continued fraction form is proposed to systematically resum high-order quantum kinetic expansion (QKE) rate kernels, accounting for the bath relaxation effect beyond the second-order perturbation. In particular, the analytical expression of the sixth-order QKE rate kernel is derived for resummation. With higher-order correction terms systematically extracted from higher-order rate kernels, the resummed quantum kinetic expansion approach in the continued fraction form extends the Pade approximation and can fully recover the exact quantum dynamics as the expansion order increases.

Evolution of multiple quantum coherences with scaled dipolar Hamiltonian

NASA Astrophysics Data System (ADS)

Sánchez, Claudia M.; Buljubasich, Lisandro; Pastawski, Horacio M.; Chattah, Ana K.

2017-08-01

In this article, we introduce a pulse sequence which allows the monitoring of multiple quantum coherences distribution of correlated spin states developed with scaled dipolar Hamiltonian. The pulse sequence is a modification of our previous Proportionally Refocused Loschmidt echo (PRL echo) with phase increment, in order to verify the accuracy of the weighted coherent quantum dynamics. The experiments were carried out with different scaling factors to analyze the evolution of the total magnetization, the time dependence of the multiple quantum coherence orders, and the development of correlated spins clusters. In all cases, a strong dependence between the evolution rate and the weighting factor is observed. Remarkably, all the curves appeared overlapped in a single trend when plotted against the self-time, a new time scale that includes the scaling factor into the evolution time. In other words, the spin system displayed always the same quantum evolution, slowed down as the scaling factor decreases, confirming the high performance of the new pulse sequence.

Effects of magnetic and nonmagnetic impurities on the spin susceptibility of a noncentrosymmetrical superconductor: Application to CePt3Si

NASA Astrophysics Data System (ADS)

Yavari, H.; Mokhtari, M.; Tamaddonpour, M.

2013-10-01

The combined effect of nonmagnetic and magnetic impurities on the spin susceptibility of a noncentrosymmetrical superconductor by considering a Cooper pairing model with a two-component order parameter composed of spin-singlet and spin-triplet pairing components is investigated. For clean superconductor CePt3Si, the low-temperature dependence (T →0) of spin susceptibility is linear which suggests that the gap function has line nodes, consistent with our gap model. We will show that in the presence of magnetic impurities the susceptibility does not vanish even in the absence of spin orbit coupling and in the region where the energy gap still is finite, and in the low concentration of magnetic impurities the spin susceptibility at zero temperature is proportional to impurity concentration.

The forces and moments acting on parts of the XN2Y-1 airplane during spins

NASA Technical Reports Server (NTRS)

Scudder, N F

1937-01-01

The magnitudes of the yawing moments produced by various parts of an airplane during spins have previously been found to be of major importance in determining the nature of the spin. Discrepancies in resultant yawing moments determined from model and full-scale tests, however, have indicated the probable importance of scale effect on the model. In order to obtain data for a more detailed comparison between full-scale and model results, flight tests were made to determine the yawing moments contributed by various parts of an airplane in spins. The inertia moment was determined by the usual measurement of the spinning motion, and the aerodynamic yawing moments on the fuselage, fin, and rudder were determined by pressure-distribution measurements over these parts of the airplane. The wing yawing moment was determined by taking the difference between the gyroscopic moment and the fuselage, fin, and rudder moments. The numerical values of the wing yawing moments were found to be of the same order of magnitude as those measured in wind tunnels.

Magnetization dynamics and frustration in the multiferroic double perovskite Lu 2MnCoO 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zapf, Vivien S.; Ueland, B. G.; Laver, Mark

2016-04-29

Here, we investigate the magnetic ordering and the magnetization dynamics (from kHz to THz time scales) of the double perovskite Lu 2MnCoO 6 using elastic neutron diffraction, muon spin relaxation, and micro-Hall magnetization measurements. This compound is known to be a type II multiferroic with the interesting feature that a ferromagneticlike magnetization hysteresis loop couples to an equally hysteretic electric polarization in the bulk of the material despite a zero-field magnetic ordering of the type ↑↑↓↓ along Co-Mn spin chains. Here we explore the unusual dynamics of this compound and find extremely strong fluctuations, consistent with the axial next-nearest-neighbor Isingmore » (ANNNI) model for frustrated spin chains. We identify three temperature scales in Lu 2MnCoO 6 corresponding to the onset of highly fluctuating long-range order below T N = 50±3 K identified from neutron scattering, the onset of magnetic and electric hysteresis, with change in kHz magnetic and electric dynamics below a 30 K temperature scale, and partial freezing of ~MHz spin fluctuations in the muon spin relaxation data below 12 ± 3 K. Our results provide a framework for understanding the multiferroic behavior of this compound and its hysteresis and dynamics.« less

Spin-orbit precession along eccentric orbits: Improving the knowledge of self-force corrections and of their effective-one-body counterparts

NASA Astrophysics Data System (ADS)

Bini, Donato; Damour, Thibault; Geralico, Andrea

2018-05-01

The (first-order) gravitational self-force correction to the spin-orbit precession of a spinning compact body along a slightly eccentric orbit around a Schwarzschild black hole is computed through the ninth post-Newtonian order and to second order in the eccentricity, improving recent results by Kavanagh et al. [Phys. Rev. D 96, 064012 (2017), 10.1103/PhysRevD.96.064012]. We show that our higher-accurate theoretical estimates of the spin precession exhibits an improved agreement with corresponding numerical self-force data. We convert our new theoretical results into its corresponding effective-one-body counterpart, thereby determining several new post-Newtonian terms in the gyrogravitomagnetic ratio gS * .

NMR signal analysis to attribute the components to the solid/liquid phases present in mixes and ice creams.

PubMed

Mariette, François; Lucas, Tiphaine

2005-03-09

The NMR relaxation signals from complex products such as ice cream are hard to interpret because of the multiexponential behavior of the relaxation signal and the difficulty of attributing the NMR relaxation components to specific molecule fractions. An attribution of the NMR relaxation parameters is proposed, however, based on an approach that combines quantitative analysis of the spin-spin and spin-lattice relaxation times and the signal intensities with characterization of the ice cream components. We have been able to show that NMR can be used to describe the crystallized and liquid phases separately. The first component of the spin-spin and spin-lattice relaxation describes the behavior of the protons of the crystallized fat in the mix. The amount of fat crystals can then be estimated. In the case of ice cream, only the spin-lattice relaxation signal from the crystallized fraction is relevant. However, it enables the ice protons and the protons of the crystallized fat to be distinguished. The spin-lattice relaxation time can be used to describe the mobility of the protons in the different crystallized phases and also to quantify the amount of ice crystals and fat crystals in the ice cream. The NMR relaxation of the liquid phase of the mix has a biexponential behavior. A first component is attributable to the liquid fraction of the fat and to the sugars, while a second component is attributable to the aqueous phase. Overall, the study shows that despite the complexity of the NMR signal from ice cream, a number of relevant parameters can be extracted to study the influence of the formulation and of the process stages on the ice fraction, the crystallized fat fraction, and the liquid aqueous fraction.

Lorentz-Symmetry Test at Planck-Scale Suppression With a Spin-Polarized 133Cs Cold Atom Clock.

PubMed

Pihan-Le Bars, H; Guerlin, C; Lasseri, R-D; Ebran, J-P; Bailey, Q G; Bize, S; Khan, E; Wolf, P

2018-06-01

We present the results of a local Lorentz invariance (LLI) test performed with the 133 Cs cold atom clock FO2, hosted at SYRTE. Such a test, relating the frequency shift between 133 Cs hyperfine Zeeman substates with the Lorentz violating coefficients of the standard model extension (SME), has already been realized by Wolf et al. and led to state-of-the-art constraints on several SME proton coefficients. In this second analysis, we used an improved model, based on a second-order Lorentz transformation and a self-consistent relativistic mean field nuclear model, which enables us to extend the scope of the analysis from purely proton to both proton and neutron coefficients. We have also become sensitive to the isotropic coefficient , another SME coefficient that was not constrained by Wolf et al. The resulting limits on SME coefficients improve by up to 13 orders of magnitude the present maximal sensitivities for laboratory tests and reach the generally expected suppression scales at which signatures of Lorentz violation could appear.

Measuring Intermediate-Mass Black-Hole Binaries with Advanced Gravitational Wave Detectors.

PubMed

Veitch, John; Pürrer, Michael; Mandel, Ilya

2015-10-02

We perform a systematic study to explore the accuracy with which the parameters of intermediate-mass black-hole binary systems can be measured from their gravitational wave (GW) signatures using second-generation GW detectors. We make use of the most recent reduced-order models containing inspiral, merger, and ringdown signals of aligned-spin effective-one-body waveforms to significantly speed up the calculations. We explore the phenomenology of the measurement accuracies for binaries with total masses between 50M(⊙) and 500M(⊙) and mass ratios between 0.1 and 1. We find that (i) at total masses below ∼200M(⊙), where the signal-to-noise ratio is dominated by the inspiral portion of the signal, the chirp mass parameter can be accurately measured; (ii) at higher masses, the information content is dominated by the ringdown, and total mass is measured more accurately; (iii) the mass of the lower-mass companion is poorly estimated, especially at high total mass and more extreme mass ratios; and (iv) spin cannot be accurately measured for our injection set with nonspinning components. Most importantly, we find that for binaries with nonspinning components at all values of the mass ratio in the considered range and at a network signal-to-noise ratio of 15, analyzed with spin-aligned templates, the presence of an intermediate-mass black hole with mass >100M(⊙) can be confirmed with 95% confidence in any binary that includes a component with a mass of 130M(⊙) or greater.

First-order dipolar phase transition in the Dicke model with infinitely coordinated frustrating interaction

NASA Astrophysics Data System (ADS)

Mukhin, S. I.; Gnezdilov, N. V.

2018-05-01

We found analytically a first-order quantum phase transition in a Cooper pair box array of N low-capacitance Josephson junctions capacitively coupled to resonant photons in a microwave cavity. The Hamiltonian of the system maps on the extended Dicke Hamiltonian of N spins 1 /2 with infinitely coordinated antiferromagnetic (frustrating) interaction. This interaction arises from the gauge-invariant coupling of the Josephson-junction phases to the vector potential of the resonant photons field. In the N ≫1 semiclassical limit, we found a critical coupling at which the ground state of the system switches to one with a net collective electric dipole moment of the Cooper pair boxes coupled to a super-radiant equilibrium photonic condensate. This phase transition changes from the first to second order if the frustrating interaction is switched off. A self-consistently "rotating" Holstein-Primakoff representation for the Cartesian components of the total superspin is proposed, that enables one to trace both the first- and the second-order quantum phase transitions in the extended and standard Dicke models, respectively.

Topics in Higher-Derivative Supergravity and N = 2 Yang-Mills Theories

NASA Astrophysics Data System (ADS)

Hindawi, Ahmed Abdel-Ati

1997-09-01

In Part I of the thesis we discuss higher-derivative theories of gravity. We start by discussing the field content of quadratic higher-derivative gravity, together with a new example of a massless spin-two field consistently coupled to gravity. The full quadratic gravity theory is shown to be equivalent to a canonical second-order theory of a massive scalar field, a massive spin-two symmetric tensor field and gravity. It is shown that flat-space is the only stable vacuum, and that the spin-two field around it is always ghost-like. We give a procedure for exhibiting the new propagating degrees of freedom in a generic higher-derivative gravity, at the full non-linear level. We show that around any vacuum the elementary excitations remain the massless graviton, a massive scalar field and a massive ghost-like spin-two field. In Part II of the thesis we extend our investigations to the realm of supergravity. We consider the general form of quadratic (1, 1) supergravity in two dimensions. It is demonstrated that the theory possesses stable vacua with vanishing cosmological constant which spontaneously break supersymmetry. We then consider higher-derivative N=1 supergravity in four dimensions. We construct two classes of higher-derivative supergravity theories. They are found to be equivalent to Einstein supergravity coupled to one or two chiral superfields and have a rich vacuum structure. It is demonstrated that theories of the second class can possess a stable vacuum with vanishing cosmological constant that spontaneously breaks supersymmetry. We then proceed to show how spontaneous supersymmetry breaking in the vacuum state of higher-derivative supergravity is transmitted, as explicit soft supersymmetry-breaking terms, to the effective Lagrangian of the standard electroweak model. In Part III we use central charge superspace to give a geometrical construction of the N=2 Abelian vector-tensor multiplet consisting, under N=1 supersymmetry, of one vector and one linear multiplet. We derive the component field supersymmetry and central charge transformations, and show that there is a super-Lagrangian, the higher components of which are all total derivatives, allowing us to construct superfield and component actions.

Solitonic Spin-Liquid State Due to the Violation of the Lifshitz Condition in Fe(1+y)Te.

PubMed

Materne, Ph; Koz, C; Rössler, U K; Doerr, M; Goltz, T; Klauss, H H; Schwarz, U; Wirth, S; Rössler, S

2015-10-23

A combination of phenomenological analysis and Mössbauer spectroscopy experiments on the tetragonal Fe(1+y)Te system indicates that the magnetic ordering transition in compounds with higher Fe excess, y≥0.11, is unconventional. Experimentally, a liquidlike magnetic precursor with quasistatic spin order is found from significantly broadened Mössbauer spectra at temperatures above the antiferromagnetic transition. The incommensurate spin-density wave order in Fe(1+y)Te is described by a magnetic free energy that violates the weak Lifshitz condition in the Landau theory of second-order transitions. The presence of multiple Lifshitz invariants provides the mechanism to create multidimensional, twisted, and modulated solitonic phases.

Solitonic Spin-Liquid State Due to the Violation of the Lifshitz Condition in Fe1 +yTe

NASA Astrophysics Data System (ADS)

Materne, Ph.; Koz, C.; Rößler, U. K.; Doerr, M.; Goltz, T.; Klauss, H. H.; Schwarz, U.; Wirth, S.; Rößler, S.

2015-10-01

A combination of phenomenological analysis and Mössbauer spectroscopy experiments on the tetragonal Fe1 +yTe system indicates that the magnetic ordering transition in compounds with higher Fe excess, y ≥0.11 , is unconventional. Experimentally, a liquidlike magnetic precursor with quasistatic spin order is found from significantly broadened Mössbauer spectra at temperatures above the antiferromagnetic transition. The incommensurate spin-density wave order in Fe1 +yTe is described by a magnetic free energy that violates the weak Lifshitz condition in the Landau theory of second-order transitions. The presence of multiple Lifshitz invariants provides the mechanism to create multidimensional, twisted, and modulated solitonic phases.

Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited

NASA Astrophysics Data System (ADS)

Buckingham, A. D.; Pyykkö, P.; Robert, J. B.; Wiesenfeld, L.

The symmetry rules of Buckingham and Love (1970), relating the number of independent components of the indirect spin-spin coupling tensor J to the symmetry of the nuclear sites, are shown to require modification if the two nuclei are exchanged by a symmetry operation. In that case, the anti-symmetric part of J does not transform as a second-rank polar tensor under symmetry operations that interchange the coupled nuclei and may be called an anti-tensor. New rules are derived and illustrated by simple molecular models.

Adjustable vector Airy light-sheet single optical tweezers: negative radiation forces on a subwavelength spheroid and spin torque reversal

NASA Astrophysics Data System (ADS)

Mitri, Farid G.

2018-01-01

Generalized solutions of vector Airy light-sheets, adjustable per their derivative order m, are introduced stemming from the Lorenz gauge condition and Maxwell's equations using the angular spectrum decomposition method. The Cartesian components of the incident radiated electric, magnetic and time-averaged Poynting vector fields in free space (excluding evanescent waves) are determined and computed with particular emphasis on the derivative order of the Airy light-sheet and the polarization on the magnetic vector potential forming the beam. Negative transverse time-averaged Poynting vector components can arise, while the longitudinal counterparts are always positive. Moreover, the analysis is extended to compute the optical radiation force and spin torque vector components on a lossless dielectric prolate subwavelength spheroid in the framework of the electric dipole approximation. The results show that negative forces and spin torques sign reversal arise depending on the derivative order of the beam, the polarization of the magnetic vector potential, and the orientation of the subwavelength prolate spheroid in space. The spin torque sign reversal suggests that counter-clockwise or clockwise rotations around the center of mass of the subwavelength spheroid can occur. The results find useful applications in single Airy light-sheet tweezers, particle manipulation, handling, and rotation applications to name a few examples.

Why does MP2 work?

PubMed

Fink, Reinhold F

2016-11-14

We show analytically and numerically that the performance of second order Møller-Plesset (MP) perturbation theory (PT), coupled-cluster (CC) theory, and other perturbation theory approaches can be rationalized by analyzing the wavefunctions of these methods. While rather large deviations for the individual contributions of configurations to the electron correlation energy are found for MP wavefunctions, they profit from an advantageous and robust error cancellation: The absolute contribution to the correlation energy is generally underestimated for the critical excitations with small energy denominators and all other doubly excited configurations where the two excited electrons are coupled to a singlet. This is balanced by an overestimation of the contribution of triplet-coupled double excitations to the correlation energy. The even better performance of spin-component-scaled-MP2 theory is explained by a similar error compensation effect. The wavefunction analysis for the lowest singlet states of H 2 O, CH 2 , CO, and Cu + shows the predicted trends for MP methods, rapid but biased convergence of CC theory as well as the substantial potential of linearized CC, or retaining the excitation-degree (RE)-PT.

Magnetic quasi-long-range ordering in nematic systems due to competition between higher-order couplings

NASA Astrophysics Data System (ADS)

Žukovič, Milan; Kalagov, Georgii

2018-05-01

Critical properties of the two-dimensional X Y model involving solely nematic-like terms of the second and third orders are investigated by spin-wave analysis and Monte Carlo simulation. It is found that, even though neither of the nematic-like terms alone can induce magnetic ordering, their coexistence and competition leads to an extended phase of the magnetic quasi-long-range-order phase, wedged between the two nematic-like phases induced by the respective couplings. Thus, except for the multicritical point, at which all the phases meet, for any finite value of the coupling parameters ratio there are two phase transition: one from the paramagnetic phase to one of the two nematic-like phases followed by another one at lower temperatures to the magnetic phase. The finite-size scaling analysis indicates that the phase transitions between the magnetic and nematic-like phases belong to the Ising and three-state Potts universality classes. Inside the competition-induced algebraic magnetic phase, the spin-pair correlation function is found to decay even much more slowly than in the standard X Y model with purely magnetic interactions. Such a magnetic phase is characterized by an extremely low vortex-antivortex pair density attaining a minimum close to the point at which the two couplings are of about equal strength.

Theoretical investigation of electronic states and spectroscopic properties of tellurium selenide molecule employing relativistic effective core potentials.

PubMed

Chattopadhyaya, Surya; Nath, Abhijit; Das, Kalyan Kumar

2014-04-24

Ab initio based relativistic configuration interaction calculations have been performed to study the electronic states and spectroscopic properties of tellurium selenide (TeSe) - the heaviest heteronuclear diatomic group 16-16 molecule. Potential energy curves of several spin-excluded (Λ-S) electronic states of TeSe have been constructed and spectroscopic constants of low-lying bound Λ-S states within 3.85 eV are reported in the first stage of calculations. The X(3)Σ(-), a(1)Δ and b(1)Σ(+) are found as the ground, first excited and second excited state, respectively, at the Λ-S level and all these three states are mainly dominated by …π(4)π(*2) configuration. The computed ground state dissociation energy is in very good agreement with the experimental results. In the next stage of calculations, effects of spin-orbit coupling on the potential energy curves and spectroscopic properties of the species are investigated in details and compared with the existing experimental results. After inclusion of spin-orbit coupling the X(3)(1)Σ(-)(0(+)) is found as the ground-state spin component of TeSe. The computed spin-orbit splitting between two components of X(3)Σ(-) state is 1285 cm(-1). Also, significant amount of spin-orbit splitting are found between spin-orbit components (Ω-components) of several other excited states. Transition moments of some important spin-allowed and spin-forbidden transitions are calculated from configuration interaction wave functions. The spin-allowed transition B(3)Σ(-)-X(3)Σ(-) and spin-forbidden transition b(1)Σ(+)(0(+))-X(3)(1)Σ(-)(0(+)) are found to be the strongest in their respective categories. Electric dipole moments of all the bound Λ-S states along with those of the two Ω-components of X(3)Σ(-) are also calculated in the present study. Copyright © 2014 Elsevier B.V. All rights reserved.

Higher-order spin and charge dynamics in a quantum dot-lead hybrid system.

PubMed

Otsuka, Tomohiro; Nakajima, Takashi; Delbecq, Matthieu R; Amaha, Shinichi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Stano, Peter; Noiri, Akito; Ito, Takumi; Loss, Daniel; Ludwig, Arne; Wieck, Andreas D; Tarucha, Seigo

2017-09-22

Understanding the dynamics of open quantum systems is important and challenging in basic physics and applications for quantum devices and quantum computing. Semiconductor quantum dots offer a good platform to explore the physics of open quantum systems because we can tune parameters including the coupling to the environment or leads. Here, we apply the fast single-shot measurement techniques from spin qubit experiments to explore the spin and charge dynamics due to tunnel coupling to a lead in a quantum dot-lead hybrid system. We experimentally observe both spin and charge time evolution via first- and second-order tunneling processes, and reveal the dynamics of the spin-flip through the intermediate state. These results enable and stimulate the exploration of spin dynamics in dot-lead hybrid systems, and may offer useful resources for spin manipulation and simulation of open quantum systems.

Long-lived 1H singlet spin states originating from para-hydrogen in Cs-symmetric molecules stored for minutes in high magnetic fields.

PubMed

Franzoni, María Belén; Buljubasich, Lisandro; Spiess, Hans W; Münnemann, Kerstin

2012-06-27

Nuclear magnetic resonance (NMR) is a very powerful tool in physics, chemistry, and life sciences, although limited by low sensitivity. This problem can be overcome by hyperpolarization techniques dramatically enhancing the NMR signal. However, this approach is restricted to relatively short time scales depending on the nuclear spin-lattice relaxation time T(1) in the range of seconds. This makes long-lived singlet states very useful as a way to extend the hyperpolarization lifetimes. Para-hydrogen induced polarization (PHIP) is particularly suitable, because para-H(2) possesses singlet symmetry. Most PHIP experiments, however, are performed on asymmetric molecules, and the initial singlet state is directly converted to a NMR observable triplet state decaying with T(1), in the order of seconds. We demonstrate that in symmetric molecules, a long-lived singlet state created by PHIP can be stored for several minutes on protons in high magnetic fields. Subsequently, it is converted into observable high nonthermal magnetization by controlled singlet-triplet conversion via level anticrossing.

Neutron star dynamics under time-dependent external torques

NASA Astrophysics Data System (ADS)

Gügercinoǧlu, Erbil; Alpar, M. Ali

2017-11-01

The two-component model describes neutron star dynamics incorporating the response of the superfluid interior. Conventional solutions and applications involve constant external torques, as appropriate for radio pulsars on dynamical time-scales. We present the general solution of two-component dynamics under arbitrary time-dependent external torques, with internal torques that are linear in the rotation rates, or with the extremely non-linear internal torques due to vortex creep. The two-component model incorporating the response of linear or non-linear internal torques can now be applied not only to radio pulsars but also to magnetars and to neutron stars in binary systems, with strong observed variability and noise in the spin-down or spin-up rates. Our results allow the extraction of the time-dependent external torques from the observed spin-down (or spin-up) time series, \\dot{Ω }(t). Applications are discussed.

Mixed-Spin Diamond Chain Cu2FePO4F4(H2O)4 with a Noncollinear Spin Order and Possible Successive Phase Transitions.

PubMed

Lu, Hongcheng; Hayashi, Naoaki; Matsumoto, Yuki; Takatsu, Hiroshi; Kageyama, Hiroshi

2017-08-07

A diamond spin chain system, one of the one-dimensional frustrated lattices, is known to exhibit novel properties, but experimental studies have been exclusively confined to materials with a single spin component. Here, we report on the synthesis, structure, and magnetic properties of a new diamond chain compound Cu 2 FePO 4 F 4 (H 2 O) 4 1 composed of mixed-spins of Cu 2+ (S = 1/2 × 2) and Fe 3+ (S = 5/2). Compound 1 crystallizes in the space group C2/c of the monoclinic crystal system with a = 7.7546(4) Å, b = 12.1290(6) Å, c = 9.9209(6) Å, β = 105.29(1)°, and Z = 4. DC magnetization, Mössbauer spectroscopy, and heat capacity measurements revealed an antiferromagnetic order at 11.3 K with a small ferromagnetic component. It is suggested that ferrimagnetic diamond chains are arranged in an antiferromagnetic fashion (i.e., [...Fe(↑)-2Cu(↓↓)-Fe(↑)...] and [...Fe(↓)-2Cu(↑↑)-Fe(↓)...]) within the ab plane to cancel net magnetization, and the spin orientation of the diamond chains changes alternately along the c axis due to the magnetic anisotropy, leading to a noncollinear spin order. Furthermore, another anomaly is observed in the heat capacity at around 3 K, suggesting a successive magnetic transition or crossover due to competing magnetic interactions.

Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application.

PubMed

Phillips, Jordan J; Peralta, Juan E

2013-05-07

We present a method for calculating magnetic coupling parameters from a single spin-configuration via analytic derivatives of the electronic energy with respect to the local spin direction. This method does not introduce new approximations beyond those found in the Heisenberg-Dirac Hamiltonian and a standard Kohn-Sham Density Functional Theory calculation, and in the limit of an ideal Heisenberg system it reproduces the coupling as determined from spin-projected energy-differences. Our method employs a generalized perturbative approach to constrained density functional theory, where exact expressions for the energy to second order in the constraints are obtained by analytic derivatives from coupled-perturbed theory. When the relative angle between magnetization vectors of metal atoms enters as a constraint, this allows us to calculate all the magnetic exchange couplings of a system from derivatives with respect to local spin directions from the high-spin configuration. Because of the favorable computational scaling of our method with respect to the number of spin-centers, as compared to the broken-symmetry energy-differences approach, this opens the possibility for the blackbox exploration of magnetic properties in large polynuclear transition-metal complexes. In this work we outline the motivation, theory, and implementation of this method, and present results for several model systems and transition-metal complexes with a variety of density functional approximations and Hartree-Fock.

FAST TRACK COMMUNICATION: Spin waves in the (0, π) and (0, π, π) ordered SDW states of the t-t' Hubbard model: application to doped iron pnictides

NASA Astrophysics Data System (ADS)

Raghuvanshi, Nimisha; Singh, Avinash

2010-10-01

Spin waves in the (0, π) and (0, π, π) ordered spin-density-wave (SDW) states of the t-t' Hubbard model are investigated at finite doping. In the presence of small t', these composite ferro-antiferromagnetic (F-AF) states are found to be strongly stabilized at finite hole doping due to enhanced carrier-induced ferromagnetic spin couplings as in metallic ferromagnets. Anisotropic spin-wave velocities, a spin-wave energy scale of around 200 meV, reduced magnetic moment and rapid suppression of magnetic order with electron doping x (corresponding to F substitution of O atoms in LaO1 - xFxFeAs or Ni substitution of Fe atoms in BaFe2 - xNixAs2) obtained in this model are in agreement with observed magnetic properties of doped iron pnictides.

Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation.

PubMed

Si, Dejun; Li, Hui

2011-10-14

The analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculations are derived and implemented for spin-restricted closed shell (RMP2), Z-averaged spin-restricted open shell (ZAPT2), and spin-unrestricted open shell (UMP2) cases. Using these methods, the geometries of the S(0) ground state and the T(1) state of three nucleobase pairs (guanine-cytosine, adenine-thymine, and adenine-uracil) in the gas phase and aqueous solution phase are optimized. It is found that in both the gas phase and the aqueous solution phase the hydrogen bonds in the T(1) state pairs are weakened by ~1 kcal/mol as compared to those in the S(0) state pairs. © 2011 American Institute of Physics

Time-dependent real space RG on the spin-1/2 XXZ chain

NASA Astrophysics Data System (ADS)

Mason, Peter; Zagoskin, Alexandre; Betouras, Joseph

In order to measure the spread of information in a system of interacting fermions with nearest-neighbour couplings and strong bond disorder, one could utilise a dynamical real space renormalisation group (RG) approach on the spin-1/2 XXZ chain. Under such a procedure, a many-body localised state is established as an infinite randomness fixed point and the entropy scales with time as log(log(t)). One interesting further question that results from such a study is the case when the Hamiltonian explicitly depends on time. Here we answer this question by considering a dynamical renormalisation group treatment on the strongly disordered random spin-1/2 XXZ chain where the couplings are time-dependent and chosen to reflect a (slow) evolution of the governing Hamiltonian. Under the condition that the renormalisation process occurs at fixed time, a set of coupled second order, nonlinear PDE's can be written down in terms of the random distributions of the bonds and fields. Solution of these flow equations at the relevant critical fixed points leads us to establish the dynamics of the flow as we sweep through the quantum critical point of the Hamiltonian. We will present these critical flows as well as discussing the issues of duality, entropy and many-body localisation.

Coevolution of Glauber-like Ising dynamics and topology

NASA Astrophysics Data System (ADS)

Mandrà, Salvatore; Fortunato, Santo; Castellano, Claudio

2009-11-01

We study the coevolution of a generalized Glauber dynamics for Ising spins with tunable threshold and of the graph topology where the dynamics takes place. This simple coevolution dynamics generates a rich phase diagram in the space of the two parameters of the model, the threshold and the rewiring probability. The diagram displays phase transitions of different types: spin ordering, percolation, and connectedness. At variance with traditional coevolution models, in which all spins of each connected component of the graph have equal value in the stationary state, we find that, for suitable choices of the parameters, the system may converge to a state in which spins of opposite sign coexist in the same component organized in compact clusters of like-signed spins. Mean field calculations enable one to estimate some features of the phase diagram.

Spin-Mechanical Inertia in Antiferromagnet

NASA Astrophysics Data System (ADS)

Cheng, Ran; Wu, Xiaochuan; Xiao, Di

Interplay between spin dynamics and mechanical motions is responsible for numerous striking phenomena, which has shaped a rapidly expanding field known as spin-mechanics. The guiding principle of this field has been the conservation of angular momentum that involves both quantum spins and classical mechanical rotations. However, in an antiferromagnet, the macroscopic magnetization vanishes while the order parameter (Néel order) does not carry an angular momentum. It is therefore not clear whether the order parameter dynamics has any mechanical consequence as its ferromagnetic counterparts. Here we demonstrate that the Néel order dynamics affects the mechanical motion of a rigid body by modifying its inertia tensor in the presence of strong magnetocrystalline anisotropy. This effect depends on temperature when magnon excitations are considered. Such a spin-mechanical inertia can produce measurable consequences at nanometer scales. Our discovery establishes spin-mechanical inertia as an essential ingredient to properly describe spin-mechanical effects in AFs, which supplements the known governing physics from angular momentum conservation. This work was supported by the DOE, Basic Energy Sciences, Grant No. DE-SC0012509. D.X. also acknowledges support from a Research Corporation for Science Advancement Cottrell Scholar Award.

Universality and phase diagrams of the Baxter-Wu Model in a Crystal Field: spin-1 and spin-3/2

NASA Astrophysics Data System (ADS)

Dias, D. A.; Xavier, J. C.; Plascak, J. A.

2017-11-01

Conventional finite-size scaling and conformal invariance theory are used in order to study the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model. For spin-1 the results are similar to the Blume-Capel model. However, for spin-3/2, the phase diagram is much richer, and presents, besides a pentacritical point, an additional multicritical endpoint. In both cases, the universality class is the same as the spin-1/2 model, even at the multicritical points.

Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

PubMed

Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

2016-01-12

Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes.

Topological RPdBi half-Heusler semimetals: A new family of noncentrosymmetric magnetic superconductors.

PubMed

Nakajima, Yasuyuki; Hu, Rongwei; Kirshenbaum, Kevin; Hughes, Alex; Syers, Paul; Wang, Xiangfeng; Wang, Kefeng; Wang, Renxiong; Saha, Shanta R; Pratt, Daniel; Lynn, Jeffrey W; Paglione, Johnpierre

2015-06-01

We report superconductivity and magnetism in a new family of topological semimetals, the ternary half-Heusler compound RPdBi (R: rare earth). In this series, tuning of the rare earth f-electron component allows for simultaneous control of both lattice density via lanthanide contraction and the strength of magnetic interaction via de Gennes scaling, allowing for a unique tuning of the normal-state band inversion strength, superconducting pairing, and magnetically ordered ground states. Antiferromagnetism with ordering vector (½,½,½) occurs below a Néel temperature that scales with de Gennes factor dG, whereas a superconducting transition is simultaneously supressed with increasing dG. With superconductivity appearing in a system with noncentrosymmetric crystallographic symmetry, the possibility of spin-triplet Cooper pairing with nontrivial topology analogous to that predicted for the normal-state electronic structure provides a unique and rich opportunity to realize both predicted and new exotic excitations in topological materials.

Spin-wave diode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lan, Jin; Yu, Weichao; Wu, Ruqian

A diode, a device allowing unidirectional signal transmission, is a fundamental element of logic structures, and it lies at the heart of modern information systems. The spin wave or magnon, representing a collective quasiparticle excitation of the magnetic order in magnetic materials, is a promising candidate for an information carrier for the next-generation energy-saving technologies. Here, we propose a scalable and reprogrammable pure spin-wave logic hardware architecture using domain walls and surface anisotropy stripes as waveguides on a single magnetic wafer. We demonstrate theoretically the design principle of the simplest logic component, a spin-wave diode, utilizing the chiral bound statesmore » in a magnetic domain wall with a Dzyaloshinskii-Moriya interaction, and confirm its performance through micromagnetic simulations. As a result, these findings open a new vista for realizing different types of pure spin-wave logic components and finally achieving an energy-efficient and hardware-reprogrammable spin-wave computer.« less

Spin-wave diode

DOE PAGES

Lan, Jin; Yu, Weichao; Wu, Ruqian; ...

2015-12-28

A diode, a device allowing unidirectional signal transmission, is a fundamental element of logic structures, and it lies at the heart of modern information systems. The spin wave or magnon, representing a collective quasiparticle excitation of the magnetic order in magnetic materials, is a promising candidate for an information carrier for the next-generation energy-saving technologies. Here, we propose a scalable and reprogrammable pure spin-wave logic hardware architecture using domain walls and surface anisotropy stripes as waveguides on a single magnetic wafer. We demonstrate theoretically the design principle of the simplest logic component, a spin-wave diode, utilizing the chiral bound statesmore » in a magnetic domain wall with a Dzyaloshinskii-Moriya interaction, and confirm its performance through micromagnetic simulations. As a result, these findings open a new vista for realizing different types of pure spin-wave logic components and finally achieving an energy-efficient and hardware-reprogrammable spin-wave computer.« less

Pure circular polarization electroluminescence at room temperature with spin-polarized light-emitting diodes.

PubMed

Nishizawa, Nozomi; Nishibayashi, Kazuhiro; Munekata, Hiro

2017-02-21

We report the room-temperature electroluminescence (EL) with nearly pure circular polarization (CP) from GaAs-based spin-polarized light-emitting diodes (spin-LEDs). External magnetic fields are not used during device operation. There are two small schemes in the tested spin-LEDs: first, the stripe-laser-like structure that helps intensify the EL light at the cleaved side walls below the spin injector Fe slab, and second, the crystalline AlO x spin-tunnel barrier that ensures electrically stable device operation. The purity of CP is depressively low in the low current density ( J ) region, whereas it increases steeply and reaches close to the pure CP when J > 100 A/cm 2 There, either right- or left-handed CP component is significantly suppressed depending on the direction of magnetization of the spin injector. Spin-dependent reabsorption, spin-induced birefringence, and optical spin-axis conversion are suggested to account for the observed experimental results.

Classical Spin Nematic Transition in LiGa0.95In0.05Cr4O8

NASA Astrophysics Data System (ADS)

Wawrzyńczak, R.; Tanaka, Y.; Yoshida, M.; Okamoto, Y.; Manuel, P.; Casati, N.; Hiroi, Z.; Takigawa, M.; Nilsen, G. J.

2017-08-01

We present the results of a combined 7Li -NMR and diffraction study on LiGa0.95In0.05Cr4O8, a member of the LiGa1 -xInxCr4O8 "breathing" pyrochlore family. Via specific heat and NMR measurements, we find that the complex sequence of first-order transitions observed for LiGaCr4O8 is replaced by a single second-order transition at Tf=11 K . Neutron and x-ray diffraction rule out both structural symmetry lowering and magnetic long-range order as the origin of this transition. Instead, reverse Monte Carlo fitting of the magnetic diffuse scattering indicates that the low-temperature phase may be described as a collinear spin nematic state, characterized by a quadrupolar order parameter. This state also shows signs of short-range order between collinear spin arrangements on tetrahedra, revealed by mapping the reverse Monte Carlo spin configurations onto a three-state color model.

Configuration memory in patchwork dynamics for low-dimensional spin glasses

NASA Astrophysics Data System (ADS)

Yang, Jie; Middleton, A. Alan

2017-12-01

A patchwork method is used to study the dynamics of loss and recovery of an initial configuration in spin glass models in dimensions d =1 and d =2 . The patchwork heuristic is used to accelerate the dynamics to investigate how models might reproduce the remarkable memory effects seen in experiment. Starting from a ground-state configuration computed for one choice of nearest-neighbor spin couplings, the sample is aged up to a given scale under new random couplings, leading to the partial erasure of the original ground state. The couplings are then restored to the original choice and patchwork coarsening is again applied, in order to assess the recovery of the original state. Eventual recovery of the original ground state upon coarsening is seen in two-dimensional Ising spin glasses and one-dimensional clock models, while one-dimensional Ising spin systems neither lose nor gain overlap with the ground state during the recovery stage. The recovery for the two-dimensional Ising spin glasses suggests scaling relations that lead to a recovery length scale that grows as a power of the aging length scale.

Effects of several factors on theoretical predictions of airplane spin characteristics. [dynamic models

NASA Technical Reports Server (NTRS)

Bihrle, W., Jr.; Barnhart, B.

1974-01-01

The influence of different mathematical and aerodynamic models on computed spin motion was investigated along with the importance of some of the aerodynamic and nonaerodynamic quantities defined in these models. An analytical technique was used which included the aerodynamic forces and moments acting on a spinning aircraft due to steady rotational flow and the contribution of the rotary derivatives to the oscillatory component of the total angular rates. It was shown that (1) during experimental-analytical correlation studies, the flight-recorded control time histories must be faithfully duplicated since the spinning motion can be sensitive to a small change in the application of the spin entry controls; (2) an error in the assumed inertias, yawing moments at high angle of attack, and initial spin entry bank angle do not influence the developed spin significantly; (3) damping in pitch derivatives and the center of gravity location play a role in the spinning motion; and (4) the experimental spin investigations conducted in a constant atmospheric density environment duplicate the Froude number only at the initial full-scale spin altitude (since the full-scale airplane at high altitudes experiences large density changes during the spin.)

Spin-orbit interaction driven dimerization in one dimensional frustrated magnets

NASA Astrophysics Data System (ADS)

Zhang, Shang-Shun; Batista, Cristian D.

Spin nematic ordering has been proposed to emerge near the saturation of field of a class of frustrated magnets. The experimental observation of this novel phase is challenging for the traditional experimental probes. Nematic spin ordering is expected to induce a local quadrupolar electric moment via the spin-orbit coupling. However, a finite spin-orbit interaction explicitly breaks the U(1) symmetry of global spin rotations down to Z2, which renders the traditional nematic order no longer well-defined. In this work we investigate the relevant effect of spin-orbit interaction on the 1D frustrated J1 -J2 model. The real and the imaginary parts of the nematic order parameter belong to different representations of the discrete symmetry group of the new Hamiltonian. We demonstrate that spin-orbit coupling stabilizes the real component and simultaneously induces bond dimerization in most of the phase diagram. Such a bond dimerization can be observed with X-rays or nuclear magnetic resonance. In addition, an incommensurate bond-density wave (ICBDW) appears for smaller values of J2 / |J1 | . The experimental fingerprint of the ICBDW is a double-horn shape of the the NMR line. These conclusions can shed light on the experimental search of this novel phase.

Dynamic trapping near a quantum critical point

NASA Astrophysics Data System (ADS)

Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli

2015-02-01

The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2016-05-01

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N2.6 for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.

PubMed

Song, Chenchen; Martínez, Todd J

2016-05-07

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N(2.6) for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

A quark model analysis of orbital angular momentum

NASA Astrophysics Data System (ADS)

Scopetta, Sergio; Vento, Vicente

1999-08-01

Orbital Angular Momentum (OAM) twist-two parton distributions are studied. At the low energy, hadronic, scale we calculate them for the relativistic MIT bag model and for non-relativistic potential quark models. We reach the scale of the data by leading order evolution using the OPE and perturbative QCD. We confirm that the contribution of quarks and gluons OAM to the nucleon spin grows with Q2, and it can be relevant at the experimental scale, even if it is negligible at the hadronic scale, irrespective of the model used. The sign and shape of the quark OAM distribution at high Q2 may depend strongly on the relative size of the OAM and spin distributions at the hadronic scale. Sizeable quark OAM distributions at the hadronic scale, as proposed by several authors, can produce the dominant contribution to the nucleon spin at high Q2. As expected by general arguments, we obtain, that the large gluon OAM contribution is almost cancelled by the gluon spin contribution.

Giant perpendicular magnetic anisotropy in Fe/III-V nitride thin films

PubMed Central

2018-01-01

Large perpendicular magnetic anisotropy (PMA) in transition metal thin films provides a pathway for enabling the intriguing physics of nanomagnetism and developing broad spintronics applications. After decades of searches for promising materials, the energy scale of PMA of transition metal thin films, unfortunately, remains only about 1 meV. This limitation has become a major bottleneck in the development of ultradense storage and memory devices. We discovered unprecedented PMA in Fe thin-film growth on the (0001¯) N-terminated surface of III-V nitrides from first-principles calculations. PMA ranges from 24.1 meV/u.c. in Fe/BN to 53.7 meV/u.c. in Fe/InN. Symmetry-protected degeneracy between x2 − y2 and xy orbitals and its lift by the spin-orbit coupling play a dominant role. As a consequence, PMA in Fe/III-V nitride thin films is dominated by first-order perturbation of the spin-orbit coupling, instead of second-order in conventional transition metal/oxide thin films. This game-changing scenario would also open a new field of magnetism on transition metal/nitride interfaces. PMID:29670948

Dynamic pathway of the photoinduced phase transition of TbMnO3

NASA Astrophysics Data System (ADS)

Bothschafter, Elisabeth M.; Abreu, Elsa; Rettig, Laurenz; Kubacka, Teresa; Parchenko, Sergii; Porer, Michael; Dornes, Christian; Windsor, Yoav William; Ramakrishnan, Mahesh; Alberca, Aurora; Manz, Sebastian; Saari, Jonathan; Koohpayeh, Seyed M.; Fiebig, Manfred; Forrest, Thomas; Werner, Philipp; Dhesi, Sarnjeet S.; Johnson, Steven L.; Staub, Urs

2017-11-01

We investigate the demagnetization dynamics of the cycloidal and sinusoidal phases of multiferroic TbMnO3 by means of time-resolved resonant soft x-ray diffraction following excitation by an optical pump. The use of orthogonal linear x-ray polarizations provides information on the contribution from the different magnetic moment directions, which can be interpreted as signatures from multiferroic cycloidal spin order and sinusoidal spin order. Tracking these signatures in the time domain enables us to identify the transient magnetic phase created by intense photoexcitation of the electrons and subsequent heating of the spin system on a picosecond time scale. The transient phase is shown to exhibit mostly spin density wave character, as in the adiabatic case, while nevertheless retaining the wave vector of the cycloidal long-range order. Two different pump photon energies, 1.55 and 3.1 eV, lead to population of the conduction band predominantly via intersite d -d or intrasite p -d transitions, respectively. We find that the nature of the optical excitation does not play an important role in determining the dynamics of magnetic order melting. Further, we observe that the orbital reconstruction, which is induced by the spin ordering, disappears on a time scale comparable to that of the cycloidal order, attesting to a direct coupling between magnetic order and orbital reconstruction. Our observations are discussed in the context of recent theoretical models of demagnetization dynamics in strongly correlated systems, revealing the potential of this type of measurement as a benchmark for such theoretical studies.

Mixed Spin-1/2 and Spin-5/2 Model by Renormalization Group Theory: Recursion Equations and Thermodynamic Study

NASA Astrophysics Data System (ADS)

Antari, A. El; Zahir, H.; Hasnaoui, A.; Hachem, N.; Alrajhi, A.; Madani, M.; Bouziani, M. El

2018-04-01

Using the renormalization group approximation, specifically the Migdal-Kadanoff technique, we investigate the Blume-Capel model with mixed spins S = 1/2 and S = 5/2 on d-dimensional hypercubic lattice. The flow in the parameter space of the Hamiltonian and the thermodynamic functions are determined. The phase diagram of this model is plotted in the (anisotropy, temperature) plane for both cases d = 2 and d = 3 in which the system exhibits the first and second order phase transitions and critical end-points. The associated fixed points are drawn up in a table, and by linearizing the transformation at the vicinity of these points, we determine the critical exponents for d = 2 and d = 3. We have also presented a variation of the free energy derivative at the vicinity of the first and second order transitions. Finally, this work is completed by a discussion and comparison with other approximation.

Spin Current Noise of the Spin Seebeck Effect and Spin Pumping

NASA Astrophysics Data System (ADS)

Matsuo, M.; Ohnuma, Y.; Kato, T.; Maekawa, S.

2018-01-01

We theoretically investigate the fluctuation of a pure spin current induced by the spin Seebeck effect and spin pumping in a normal-metal-(NM-)ferromagnet(FM) bilayer system. Starting with a simple ferromagnet-insulator-(FI-)NM interface model with both spin-conserving and non-spin-conserving processes, we derive general expressions of the spin current and the spin-current noise at the interface within second-order perturbation of the FI-NM coupling strength, and estimate them for a yttrium-iron-garnet-platinum interface. We show that the spin-current noise can be used to determine the effective spin carried by a magnon modified by the non-spin-conserving process at the interface. In addition, we show that it provides information on the effective spin of a magnon, heating at the interface under spin pumping, and spin Hall angle of the NM.

Spin-tunnel investigation of a 1/15-scale model of an Australian trainer airplane

NASA Technical Reports Server (NTRS)

Bowman, James S., Jr.; Whipple, Raymond D.; White, William L.

1987-01-01

An investigation was conducted in the Langley Spin Tunnel of the spin and spin-recovery characteristics of a 1/15-scale model of an Australian trainer airplane. The invesigation included erect and inverted spins; configuration variables such as a long tail, fuselage strakes, 20 deg. elevator cutouts, and rudder modifications; and determination of the parachute size for emergency spin recovery. Also included in the investigation were wing leading-edge modifications to evaluate Reynolds number effects. Results indicate that the basic configuration will spin erect at an angle of attack of about 63 deg. at about 2 to 2.3 seconds per turn. Recovery from this spin was unsatisfactory by rudder reversal or by rudder reversal and ailerons deflected to full with the spin. The elevators had a pronounced effect on the recovery characteristics. The elevators-down position was very adverse to recoveries, whereas the elevators-up position provided favorable recovery effects. Moving the vertical tail aft (producing a long tail configuration) improved the spin characteristics, but the recoveries were still considered marginal. An extension to the basic rudder chord and length made a significant improvement in the spin and recovery characteristics. Satisfactory recoveries were obtained by deflecting the rudder to full against the spin and the elevators and ailerons to neutral.

Radiation-reaction force on a small charged body to second order

NASA Astrophysics Data System (ADS)

Moxon, Jordan; Flanagan, Éanna

2018-05-01

In classical electrodynamics, an accelerating charged body emits radiation and experiences a corresponding radiation-reaction force, or self-force. We extend to higher order in the total charge a previous rigorous derivation of the electromagnetic self-force in flat spacetime by Gralla, Harte, and Wald. The method introduced by Gralla, Harte, and Wald computes the self-force from the Maxwell field equations and conservation of stress-energy in a limit where the charge, size, and mass of the body go to zero, and it does not require regularization of a singular self-field. For our higher-order computation, an adjustment of the definition of the mass of the body is necessary to avoid including self-energy from the electromagnetic field sourced by the body in the distant past. We derive the evolution equations for the mass, spin, and center-of-mass position of the body through second order. We derive, for the first time, the second-order acceleration dependence of the evolution of the spin (self-torque), as well as a mixing between the extended body effects and the acceleration-dependent effects on the overall body motion.

Determining Spacecraft Reaction Wheel Friction Parameters

NASA Technical Reports Server (NTRS)

Sarani, Siamak

2009-01-01

Software was developed to characterize the drag in each of the Cassini spacecraft's Reaction Wheel Assemblies (RWAs) to determine the RWA friction parameters. This tool measures the drag torque of RWAs for not only the high spin rates (greater than 250 RPM), but also the low spin rates (less than 250 RPM) where there is a lack of an elastohydrodynamic boundary layer in the bearings. RWA rate and drag torque profiles as functions of time are collected via telemetry once every 4 seconds and once every 8 seconds, respectively. Intermediate processing steps single-out the coast-down regions. A nonlinear model for the drag torque as a function of RWA spin rate is incorporated in order to characterize the low spin rate regime. The tool then uses a nonlinear parameter optimization algorithm based on the Nelder-Mead simplex method to determine the viscous coefficient, the Dahl friction, and the two parameters that account for the low spin-rate behavior.

The Effect of Combined Magnetic Geometries on Thermally Driven Winds. I. Interaction of Dipolar and Quadrupolar Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finley, Adam J.; Matt, Sean P., E-mail: af472@exeter.ac.uk

Cool stars with outer convective envelopes are observed to have magnetic fields with a variety of geometries, which on large scales are dominated by a combination of the lowest-order fields such as the dipole, quadrupole, and octupole modes. Magnetized stellar wind outflows are primarily responsible for the loss of angular momentum from these objects during the main sequence. Previous works have shown the reduced effectiveness of the stellar wind braking mechanism with increasingly complex but singular magnetic field geometries. In this paper, we quantify the impact of mixed dipolar and quadrupolar fields on the spin-down torque using 50 MHD simulationsmore » with mixed fields, along with 10 each of the pure geometries. The simulated winds include a wide range of magnetic field strength and reside in the slow-rotator regime. We find that the stellar wind braking torque from our combined geometry cases is well described by a broken power-law behavior, where the torque scaling with field strength can be predicted by the dipole component alone or the quadrupolar scaling utilizing the total field strength. The simulation results can be scaled and apply to all main-sequence cool stars. For solar parameters, the lowest-order component of the field (dipole in this paper) is the most significant in determining the angular momentum loss.« less

Relation between quantum fluctuations and the performance enhancement of quantum annealing in a nonstoquastic Hamiltonian

NASA Astrophysics Data System (ADS)

Susa, Yuki; Jadebeck, Johann F.; Nishimori, Hidetoshi

2017-04-01

We study the relation between quantum fluctuations and the significant enhancement of the performance of quantum annealing in a mean-field Hamiltonian. First-order quantum phase transitions were shown to be reduced to second order by antiferromagnetic transverse interactions in a mean-field-type many-body-interacting Ising spin system in a transverse field, which means an exponential speedup of quantum annealing by adiabatic quantum computation. We investigate if and how quantum effects manifest themselves around these first- and second-order phase transitions to understand if the antiferromagnetic transverse interactions appended to the conventional transverse-field Ising model induce notable quantum effects. By measuring the proximity of the semiclassical spin-coherent state to the true ground state as well as the magnitude of the concurrence representing entanglement, we conclude that significant quantum fluctuations exist around second-order transitions, whereas quantum effects are much less prominent at first-order transitions. Although the location of the transition point can be predicted by the classical picture, system properties near the transition need quantum-mechanical descriptions for a second-order transition but not necessarily for first order. It is also found that quantum fluctuations are large within the ferromagnetic phase after a second-order transition from the paramagnetic phase. These results suggest that the antiferromagnetic transverse interactions induce marked quantum effects, and this fact would be related to closely to the significant enhancement of the performance of quantum annealing.

A tensor product state approach to spin-1/2 square J1-J2 antiferromagnetic Heisenberg model: evidence for deconfined quantum criticality

NASA Astrophysics Data System (ADS)

Wang, Ling; Gu, Zheng-Cheng; Verstraete, Frank; Wen, Xiang-Gang

We study this model using the cluster update algorithm for tensor product states (TPSs). We find that the ground state energies at finite sizes and in the thermodynamic limit are in good agreement with the exact diagonalization study. At the largest bond dimension available D = 9 and through finite size scaling of the magnetization order near the transition point, we accurately determine the critical point J2c1 = 0 . 53 (1) J1 and the critical exponents β = 0 . 50 (4) . In the intermediate region we find a paramagnetic ground state without any static valence bond solid (VBS) order, supported by an exponentially decaying spin-spin correlation while a power law decaying dimer-dimer correlation. By fitting a universal scaling function for the spin-spin correlation we find the critical exponents ν = 0 . 68 (3) and ηs = 0 . 34 (6) , which is very close to the observed critical exponents for deconfined quantum critical point (DQCP) in other systems. Thus our numerical results strongly suggest a Landau forbidden phase transition from Neel order to VBS order at J2c1 = 0 . 53 (1) J1 . This project is supported by the EU Strep project QUEVADIS, the ERC Grant QUERG, and the FWF SFB Grants FoQuS and ViCoM; and the Institute for Quantum Information and Matter.

Magnetic anisotropy in binuclear complexes in the weak-exchange limit: From the multispin to the giant-spin Hamiltonian

NASA Astrophysics Data System (ADS)

Maurice, Rémi; de Graaf, Coen; Guihéry, Nathalie

2010-06-01

This paper studies the physical basis of the giant-spin Hamiltonian, which is usually used to describe the anisotropy of single-molecule magnets. A rigorous extraction of the model has been performed in the weak-exchange limit of a binuclear centrosymmetric Ni(II) complex, using correlated ab initio calculations and effective Hamiltonian theory. It is shown that the giant-spin Hamiltonian is not appropriate to describe polynuclear complexes as soon as spin mixing becomes non-negligible. A relevant model is proposed involving fourth-order operators, different from the traditionally used Stevens operators. The new giant-spin Hamiltonian correctly reproduces the effects of the spin mixing in the weak-exchange limit. A procedure to switch on and off the spin mixing in the extraction has been implemented in order to separate this effect from other anisotropic effects and to numerically evaluate both contributions to the tunnel splitting. Furthermore, the new giant-spin Hamiltonian has been derived analytically from the multispin Hamiltonian at the second order of perturbation and the theoretical link between the two models is studied to gain understanding concerning the microscopic origin of the fourth-order interaction in terms of axial, rhombic, or mixed (axial-rhombic) character. Finally, an adequate method is proposed to extract the proper magnetic axes frame for polynuclear anisotropic systems.

U (1 ) -symmetric infinite projected entangled-pair states study of the spin-1/2 square J1-J2 Heisenberg model

NASA Astrophysics Data System (ADS)

Haghshenas, R.; Sheng, D. N.

2018-05-01

We develop an improved variant of U (1 ) -symmetric infinite projected entangled-pair states (iPEPS) ansatz to investigate the ground-state phase diagram of the spin-1 /2 square J1-J2 Heisenberg model. In order to improve the accuracy of the ansatz, we discuss a simple strategy to select automatically relevant symmetric sectors and also introduce an optimization method to treat second-neighbor interactions more efficiently. We show that variational ground-state energies of the model obtained by the U (1 ) -symmetric iPEPS ansatz (for a fixed bond dimension D ) set a better upper bound, improving previous tensor-network-based results. By studying the finite-D scaling of the magnetically order parameter, we find a Néel phase for J2/J1<0.53 . For 0.53

Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor.

PubMed

Aucar, I Agustín; Gómez, Sergio S; Giribet, Claudia G; Ruiz de Azúa, Martín C

2013-09-07

In this work, relativistic effects on the nuclear spin-rotation (SR) tensor originated in the electron-nucleus and electron-electron Breit interactions are analysed. To this end, four-component numerical calculations were carried out in model systems HX (X=H,F,Cl,Br,I). The electron-nucleus Breit interaction couples the electrons and nuclei dynamics giving rise to a purely relativistic contribution to the SR tensor. Its leading order in 1/c is of the same value as that of relativistic corrections on the usual second order expression of the SR tensor considered in previous work [I. A. Aucar, S. S. Gómez, J. I. Melo, C. G. Giribet, and M. C. Ruiz de Azúa, J. Chem. Phys. 138, 134107 (2013)], and therefore it is absolutely necessary to establish its relative importance. For the sake of completeness, the corresponding effect originating in the electron-electron Breit interaction is also considered. It is verified that in all cases these Breit interactions yield only very small corrections to the SR tensors of both the X and H nuclei in the present series of compounds. Results of the present work strongly suggest that in order to achieve experimental accuracy in the theoretical study of the SR tensor both electron-nucleus and electron-electron Breit effects can be safely neglected.

Measuring absolute spin polarization in dissolution-DNP by Spin PolarimetrY Magnetic Resonance (SPY-MR)

NASA Astrophysics Data System (ADS)

Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami

2015-11-01

Dynamic nuclear polarization at 1.2 K and 6.7 T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (Δ E < kT) is violated for the nuclear Zeeman interaction Δ E = γB0h/(2 π) of most isotopes. Provided that, after rapid dissolution and transfer to an NMR or MRI system, the hyperpolarized molecules contain at least two nuclear spins I and S with a scalar coupling JIS, the polarization of spin I (short for 'investigated') can be determined from the asymmetry AS of the multiplet of spin S (short for 'spy'), provided perturbations due to second-order (strong coupling) effects are properly taken into account. If spin S is suitably discreet and does not affect the relaxation of spin I, this provides an elegant way of measuring spin polarizations 'on the fly' in a broad range of molecules, thus obviating the need for laborious measurements of signal intensities at thermal equilibrium. The method, dubbed Spin PolarimetrY Magnetic Resonance (SPY-MR), is illustrated for various pairs of 13 C spins (I, S) in acetate and pyruvate.

Stability phase diagram of a perpendicular magnetic tunnel junction in noncollinear geometry

NASA Astrophysics Data System (ADS)

Strelkov, N.; Timopheev, A.; Sousa, R. C.; Chshiev, M.; Buda-Prejbeanu, L. D.; Dieny, B.

2017-05-01

Experimental measurements performed on MgO-based perpendicular magnetic tunnel junctions show a strong dependence of the stability voltage-field diagrams as a function of the direction of the magnetic field with respect to the plane of the sample. When the magnetic field is applied in-plane, systematic nonlinear phase boundaries are observed for various lateral sizes. The simulation results based on the phenomenological Landau-Lifshitz-Gilbert equation including the in-plane and out-of-plane spin transfer torques are consistent with the measurements if a second-order anisotropy contribution is considered. Furthermore, performing the stability analysis in linear approximation allowed us to analytically extract the critical switching voltage at zero temperature in the presence of an in-plane field. This study indicates that in the noncollinear geometry investigations are suitable to detect the presence of the second-order term in the anisotropy. Such higher order anisotropy term can yield an easy-cone anisotropy which reduces the thermal stability factor but allows for more reproducible spin transfer torque switching due to a reduced stochasticity of the switching. As a result, the energy per write event decreases much faster than the thermal stability factor as the second-order anisotropy becomes more negative. Easy-cone anisotropy can be useful for fast-switching spin transfer torque magnetic random access memories provided the thermal stability can be maintained above the required value for a given memory specification.

Distinguishing magnetic blocking and surface spin-glass freezing in nickel ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Nadeem, K.; Krenn, H.; Traussing, T.; Letofsky-Papst, I.

2011-01-01

Nickel ferrite nanoparticles dispersed in SiO2 matrix have been synthesized by sol-gel method. Structural analysis has been performed by using x-ray diffraction and transmission electron microscopy. Magnetic properties have been investigated by using superconducting quantum interference device magnetometry. In addition to the average blocking temperature peak at TB=120 K measured by a zero field cooled temperature scan of the dc susceptibility, an additional hump near 15 K is observed. Temperature dependent out-of-phase ac susceptibility shows the same features: one broad peak at high temperature and a second narrow peak at low temperature. The high temperature peak corresponds to magnetic blocking of individual nanoparticles, while the low temperature peak is attributed to surface spin-glass freezing which becomes dominant for decreasing particle diameter. To prove the dynamics of the spin (dis)order in both regimes of freezing and blocking, the frequency dependent ac susceptibility is investigated under a biasing dc field. The frequency shift in the "frozen" low-temperature ac susceptibility peak is fitted to a dynamic scaling law with a critical exponent zv=7.5, which indicates a spin-glass phase. Exchange bias is turned on at low temperature which signifies the existence of a strong core-shell interaction. Aging and memory effects are further unique fingerprints of a spin-glass freezing on the surface of isolated magnetic nanoparticles.

Magnetic quantum tunneling: key insights from multi-dimensional high-field EPR.

PubMed

Lawrence, J; Yang, E-C; Hendrickson, D N; Hill, S

2009-08-21

Multi-dimensional high-field/frequency electron paramagnetic resonance (HFEPR) spectroscopy is performed on single-crystals of the high-symmetry spin S = 4 tetranuclear single-molecule magnet (SMM) [Ni(hmp)(dmb)Cl](4), where hmp(-) is the anion of 2-hydroxymethylpyridine and dmb is 3,3-dimethyl-1-butanol. Measurements performed as a function of the applied magnetic field strength and its orientation within the hard-plane reveal the four-fold behavior associated with the fourth order transverse zero-field splitting (ZFS) interaction, (1/2)B(S + S), within the framework of a rigid spin approximation (with S = 4). This ZFS interaction mixes the m(s) = +/-4 ground states in second order of perturbation, generating a sizeable (12 MHz) tunnel splitting, which explains the fast magnetic quantum tunneling in this SMM. Meanwhile, multi-frequency measurements performed with the field parallel to the easy-axis reveal HFEPR transitions associated with excited spin multiplets (S < 4). Analysis of the temperature dependence of the intensities of these transitions enables determination of the isotropic Heisenberg exchange constant, J = -6.0 cm(-1), which couples the four spin s = 1 Ni(II) ions within the cluster, as well as a characterization of the ZFS within excited states. The combined experimental studies support recent work indicating that the fourth order anisotropy associated with the S = 4 state originates from second order ZFS interactions associated with the individual Ni(II) centers, but only as a result of higher-order processes that occur via S-mixing between the ground state and higher-lying (S < 4) spin multiplets. We argue that this S-mixing plays an important role in the low-temperature quantum dynamics associated with many other well known SMMs.

Decoherence of spin states induced by Rashba coupling for an electron confined to a semiconductor quantum dot in the presence of a magnetic field

NASA Astrophysics Data System (ADS)

Poszwa, A.

2018-05-01

We investigate quantum decoherence of spin states caused by Rashba spin-orbit (SO) coupling for an electron confined to a planar quantum dot (QD) in the presence of a magnetic field (B). The Schrödinger equation has been solved in a frame of second-order perturbation theory. The relationship between the von Neumann (vN) entropy and the spin polarization is obtained. The relation is explicitly demonstrated for the InSb semiconductor QD.

Dynamic and static fluctuations in polymer gels studied by neutron spin-echo

NASA Astrophysics Data System (ADS)

Kanaya, T.; Takahashi, N.; Nishida, K.; Seto, H.; Nagao, M.; Takeba, Y.

2006-11-01

We report neutron spin-echo measurements on three types of poly(vinyl alcohol) (PVA) gels. The first is PVA gel in a mixture of dimethyl sulfoxide (DMSO) and water with volume ratio 60/40, the second is PVA gel in an aqueous borax solution and the third is chemically cross-linked PVA gel. The observed normalized intermediate scattering functions I( Q, t)/ I( Q,0) were very different among them. The I( Q, t)/ I( Q,0) of the first and third gels showed a non-decaying component in addition to a decaying component, but the second one did not have the non-decaying one. This clearly indicates that the fluctuations in the first and third PVA gels consist of static and dynamic fluctuations whereas the second PVA gel does include only the dynamic fluctuations. The dynamic and static fluctuations of the PVA gels were analyzed in terms of a restricted motion in the gel network and the Zimm motion, respectively.

Practical method for transversely measuring the spin polarization of optically pumped alkali atoms

NASA Astrophysics Data System (ADS)

Ding, Zhichao; Yuan, Jie; Long, Xingwu

2018-06-01

A practical method to measure the spin polarization of optically pumped alkali atoms is demonstrated. In order to realize transverse measurement, the transverse spin component of spin-polarized alkali atoms is created by a rotating exciting magnetic field, and detected using the optical rotation of a near-resonant probe beam for realizing a high detection sensitivity. The dependency of the optical rotation on the spin polarization of 133Cs atoms is derived theoretically and verified experimentally. By changing the direction of the rotating magnetic field, we realize the transverse measurement of the spin polarization of 133Cs atoms in either ground-state hyperfine level.

Magnetic order in a frustrated two-dimensional atom lattice at a semiconductor surface.

PubMed

Li, Gang; Höpfner, Philipp; Schäfer, Jörg; Blumenstein, Christian; Meyer, Sebastian; Bostwick, Aaron; Rotenberg, Eli; Claessen, Ralph; Hanke, Werner

2013-01-01

Two-dimensional electron systems, as exploited for device applications, can lose their conducting properties because of local Coulomb repulsion, leading to a Mott-insulating state. In triangular geometries, any concomitant antiferromagnetic spin ordering can be prevented by geometric frustration, spurring speculations about 'melted' phases, known as spin liquid. Here we show that for a realization of a triangular electron system by epitaxial atom adsorption on a semiconductor, such spin disorder, however, does not appear. Our study compares the electron excitation spectra obtained from theoretical simulations of the correlated electron lattice with data from high-resolution photoemission. We find that an unusual row-wise antiferromagnetic spin alignment occurs that is reflected in the photoemission spectra as characteristic 'shadow bands' induced by the spin pattern. The magnetic order in a frustrated lattice of otherwise non-magnetic components emerges from longer-range electron hopping between the atoms. This finding can offer new ways of controlling magnetism on surfaces.

Spin-bowling in cricket re-visited: model trajectories for various spin-vector angles

NASA Astrophysics Data System (ADS)

Robinson, Garry; Robinson, Ian

2016-08-01

In this paper we investigate, via the calculation of model trajectories appropriate to slow bowling in cricket, the effects on the flight path of the ball before pitching due to changes in the angle of the spin-vector. This was accomplished by allowing the spin-vector to vary in three ways. Firstly, from off-spin, where the spin-vector points horizontally and directly down the pitch, to top-spin where it points horizontally towards the off-side of the pitch. Secondly, from off-spin to side-spin where, for side-spin, the spin-vector points vertically upwards. Thirdly, where the spin-vector points horizontally and at 45° to the pitch (in the general direction of ‘point’, as viewed by the bowler), and is varied towards the vertical, while maintaining the 45° angle in the horizontal plane. It is found that, as is well known, top-spin causes the ball to dip in flight, side-spin causes the ball to move side-ways in flight and, perhaps most importantly, off-spin can cause the ball to drift to the off-side of the pitch late in its flight as it begins to fall. At a more subtle level it is found that, if the total spin is kept constant and a small amount of top-spin is added to the ball at the expense of some off-spin, there is little change in the side-ways drift. However, a considerable reduction in the length at which the ball pitches occurs, ˜25 cm, an amount that batsmen can ignore at their peril. On the other hand, a small amount of side-spin introduced to a top-spin delivery does not alter the point of pitching significantly, but produces a considerable amount of side-ways drift, ˜10 cm or more. For pure side-spin the side-ways drift is up to ˜30 cm. When a side-spin component is added to the spin of a ball bowled with a mixture of off-spin and top-spin in equal proportions, significant movement occurs in both the side-ways direction and in the point of pitching, of the order of a few tens of centimetres.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE PAGES

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; ...

2018-05-16

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming; Antropov, Vladimir P.

2018-05-01

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo5 (M  =  Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA  +  U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropy (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.

Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Manh Cuong; Yao, Yongxin; Wang, Cai-Zhuang

The dependence of the magnetocrystalline anisotropy energy (MAE) in MCo 5 (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory. We also show that in these materials the MAE can be both proportional and negatively proportional to the orbital moment anisotropymore » (OMA) of Co atoms. Dependence of relativistic effects on Coulomb correlations, applicability of the second order perturbation theory for the description of MAE, and effective screening of the SO interaction in these systems are discussed using a generalized virial theorem. Finally, such determined sets of parameters of Coulomb correlations can be used in much needed large scale atomistic simulations.« less

Spin fluctations and heavy fermions in the Kondo lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khaliullin, G.G.

1994-09-01

This paper studies the spectrum of the spin and electronic excitations of the Kondo lattice at low temperatures. To avoid unphysical states, the Mattis {open_quotes}drone{close_quotes}-fermion representation for localized spins is employed. First, the known Fermi liquid properties of a single impurity are examined. The behavior of the correlator between a localized spin and the electron spin density at large distances shows that the effective interaction between electrons on the Fermi level and low-energy localized spin fluctuations scales as {rho}{sup {minus}1}, where {rho} is the band-state density. This fact is developed into a renormalization of the band spectrum in a periodicmore » lattice. If the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between localized spins is much smaller than the Kondo fluctuation frequency {omega}{sub k}, the temperature of the crossover to the single-parameter Fermi liquid mode is determined by {omega}{sub k}. When the RKKY interaction becomes of order {omega}{sub k}, there is a new scale {omega}{sub sf}, the energy of the (antiferromagnetic) paramagnon mode, with {omega}{sub sf}{much_lt}{omega}{sub k}. Here the coherent Fermi liquid regime is realized only below a temperature T{sub coh} of order {omega}{sub sf}, while above T{sub coh} quasiparticle damping exhibits a linear temperature dependence. Finally, the nuclear-spin relaxation rate is calculated. 42 refs.« less

Sachs' free data in real connection variables

NASA Astrophysics Data System (ADS)

De Paoli, Elena; Speziale, Simone

2017-11-01

We discuss the Hamiltonian dynamics of general relativity with real connection variables on a null foliation, and use the Newman-Penrose formalism to shed light on the geometric meaning of the various constraints. We identify the equivalent of Sachs' constraint-free initial data as projections of connection components related to null rotations, i.e. the translational part of the ISO(2) group stabilising the internal null direction soldered to the hypersurface. A pair of second-class constraints reduces these connection components to the shear of a null geodesic congruence, thus establishing equivalence with the second-order formalism, which we show in details at the level of symplectic potentials. A special feature of the first-order formulation is that Sachs' propagating equations for the shear, away from the initial hypersurface, are turned into tertiary constraints; their role is to preserve the relation between connection and shear under retarded time evolution. The conversion of wave-like propagating equations into constraints is possible thanks to an algebraic Bianchi identity; the same one that allows one to describe the radiative data at future null infinity in terms of a shear of a (non-geodesic) asymptotic null vector field in the physical spacetime. Finally, we compute the modification to the spin coefficients and the null congruence in the presence of torsion.

Secondary isocurvature perturbations from acoustic reheating

NASA Astrophysics Data System (ADS)

Ota, Atsuhisa; Yamaguchi, Masahide

2018-06-01

The superhorizon (iso)curvature perturbations are conserved if the following conditions are satisfied: (i) (each) non adiabatic pressure perturbation is zero, (ii) the gradient terms are ignored, that is, at the leading order of the gradient expansion (iii) (each) total energy momentum tensor is conserved. We consider the case with the violation of the last two requirements and discuss the generation of secondary isocurvature perturbations during the late time universe. Second order gradient terms are not necessarily ignored even if we are interested in the long wavelength modes because of the convolutions which may pick products of short wavelength perturbations up. We then introduce second order conserved quantities on superhorizon scales under the conditions (i) and (iii) even in the presence of the gradient terms by employing the full second order cosmological perturbation theory. We also discuss the violation of the condition (iii), that is, the energy momentum tensor is conserved for the total system but not for each component fluid. As an example, we explicitly evaluate second order heat conduction between baryons and photons due to the weak Compton scattering, which dominates during the period just before recombination. We show that such secondary effects can be recast into the isocurvature perturbations on superhorizon scales if the local type primordial non Gaussianity exists a priori.

Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal Compounds.

PubMed

Moncho, Salvador; Autschbach, Jochen

2010-01-12

A benchmark study for relativistic density functional calculations of NMR spin-spin coupling constants has been performed. The test set contained 47 complexes with heavy metal atoms (W, Pt, Hg, Tl, Pb) with a total of 88 coupling constants involving one or two heavy metal atoms. One-, two-, three-, and four-bond spin-spin couplings have been computed at different levels of theory (nonhybrid vs hybrid DFT, scalar vs two-component relativistic). The computational model was based on geometries fully optimized at the BP/TZP scalar relativistic zeroth-order regular approximation (ZORA) and the conductor-like screening model (COSMO) to include solvent effects. The NMR computations also employed the continuum solvent model. Computations in the gas phase were performed in order to assess the importance of the solvation model. The relative median deviations between various computational models and experiment were found to range between 13% and 21%, with the highest-level computational model (hybrid density functional computations including scalar plus spin-orbit relativistic effects, the COSMO solvent model, and a Gaussian finite-nucleus model) performing best.

Quantum phases of two-component bosons with spin-orbit coupling in optical lattices

NASA Astrophysics Data System (ADS)

Yamamoto, Daisuke; Spielman, I. B.; Sá de Melo, C. A. R.

2017-12-01

Ultracold bosons in optical lattices are one of the few systems where bosonic matter is known to exhibit strong correlations. Here we push the frontier of our understanding of interacting bosons in optical lattices by adding synthetic spin-orbit coupling, and show that new kinds of density and chiral orders develop. The competition between the optical lattice period and the spin-orbit coupling length—which can be made comparable in experiments—along with the spin hybridization induced by a transverse field (i.e., Rabi coupling) and interparticle interactions create a rich variety of quantum phases including uniform, nonuniform, and phase-separated superfluids, as well as Mott insulators. The spontaneous symmetry-breaking phenomena at the transitions between them are explained by a two-order-parameter Ginzburg-Landau model with multiparticle umklapp processes. Finally, in order to characterize each phase, we calculated their experimentally measurable crystal momentum distributions.

Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Chenchen; Martínez, Todd J.; SLAC National Accelerator Laboratory, Menlo Park, California 94025

We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N{sup 2.6} for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 aremore » less than 0.5 kcal/mol for all systems tested (up to 162 atoms).« less

La 139 and Cu 63 NMR investigation of charge order in La 2 CuO 4 + y ( T c = 42 K)

DOE PAGES

Imai, T.; Lee, Y. S.

2018-03-14

Here, we report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La 2CuO 4+y single crystal with stage-4 excess oxygen order at T stage≃290 K. We show that the stage-4 order induces tilting of CuO 6 octahedra below T stage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at T charge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La 1.88Sr 0.12CuO 4 that sets in once the low-temperature tetragonalmore » phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below T charge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO 2 planes. This indicates that charge order in La 2CuO 4+y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at T spin(≃T c) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La 1.885Sr 0.115CuO 4, but both charge and spin order take place more sharply in the present case.« less

La 139 and Cu 63 NMR investigation of charge order in La 2 CuO 4 + y ( T c = 42 K)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Imai, T.; Lee, Y. S.

Here, we report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La 2CuO 4+y single crystal with stage-4 excess oxygen order at T stage≃290 K. We show that the stage-4 order induces tilting of CuO 6 octahedra below T stage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at T charge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La 1.88Sr 0.12CuO 4 that sets in once the low-temperature tetragonalmore » phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below T charge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO 2 planes. This indicates that charge order in La 2CuO 4+y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at T spin(≃T c) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La 1.885Sr 0.115CuO 4, but both charge and spin order take place more sharply in the present case.« less

Spin Transfer torques in Antiferromagnets

NASA Astrophysics Data System (ADS)

Saidaoui, Hamed; Waintal, Xavier; Manchon, Aurelien; Spsms, Cea, Grenoble France Collaboration

2013-03-01

Spin Transfer Torque (STT) has attracted tremendously growing interest in the past two decades. Consisting on the transfer of spin angular momentum of a spin polarized current to local magnetic moments, the STT gives rise to a complex dynamics of the magnetization. Depending on the the structure, the STT shows a dominated In plane component for spin valves, whereas both components coexist for magnetic tunneling junctions (MTJ). For latter case the symmetry of the structure is considered to be decisive in identifying the nature and behavior of the torque. In the present study we are interested in magnetic structures where we substitute either one or both of the magnetic layers by antiferromagnets (AF). We use Non-equilibrium Green's function formalism applied on a tight-binding model to investigate the nature of the spin torque. We notice the presence of two types of torque exerted on (AF), a torque which tends to rotate the order parameter and another one that competes with the exchange interaction. We conclude by comparison with previous works.

Gravity dual of spin and charge density waves

NASA Astrophysics Data System (ADS)

Jokela, Niko; Järvinen, Matti; Lippert, Matthew

2014-12-01

At high enough charge density, the homogeneous state of the D3-D7' model is unstable to fluctuations at nonzero momentum. We investigate the end point of this instability, finding a spatially modulated ground state, which is a charge and spin density wave. We analyze the phase structure of the model as a function of chemical potential and magnetic field and find the phase transition from the homogeneous state to be first order, with a second-order critical point at zero magnetic field.

Pure circular polarization electroluminescence at room temperature with spin-polarized light-emitting diodes

PubMed Central

Nishibayashi, Kazuhiro

2017-01-01

We report the room-temperature electroluminescence (EL) with nearly pure circular polarization (CP) from GaAs-based spin-polarized light-emitting diodes (spin-LEDs). External magnetic fields are not used during device operation. There are two small schemes in the tested spin-LEDs: first, the stripe-laser-like structure that helps intensify the EL light at the cleaved side walls below the spin injector Fe slab, and second, the crystalline AlOx spin-tunnel barrier that ensures electrically stable device operation. The purity of CP is depressively low in the low current density (J) region, whereas it increases steeply and reaches close to the pure CP when J > 100 A/cm2. There, either right- or left-handed CP component is significantly suppressed depending on the direction of magnetization of the spin injector. Spin-dependent reabsorption, spin-induced birefringence, and optical spin-axis conversion are suggested to account for the observed experimental results. PMID:28174272

Magnetic order induces symmetry breaking in the single-crystalline orthorhombic CuMnAs semimetal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emmanouilidou, Eve; Cao, Huibo; Tang, Peizhe

2017-12-04

Recently, orthorhombic CuMnAs has been proposed to be a magnetic material where topological fermions exist around the Fermi level. Here we report the magnetic structure of the orthorhombic Cu 0.95MnAs and Cu 0.98Mn 0.96As single crystals. While Cu 0.95MnAs is a commensurate antiferromagnet below 360 K with a propagation vector of k = 0,Cu 0.98Mn 0.96As undergoes a second-order paramagnetic to incommensurate antiferromagnetic phase transition at 320 K with k = (0.1,0,0), followed by a second-order incommensurate to commensurate antiferromagnetic phase transition at 230 K. In the commensurate antiferromagnetic state, the Mn spins order parallel to the crystallographic b axismore » but antiparallel to their nearest neighbors, with the spin orientation along the b axis. This magnetic order breaks S 2z, the two-fold rotational symmetry around the c axis, resulting in finite band gaps at the crossing point and the disappearance of the massless topological fermions. Furthermore, our first-principles calculations suggest that orthorhombic CuMnAs can still host spin-polarized surface states and signature induced by nontrivial topology, which makes it a promising candidate for antiferromagnetic spintronics.« less

First- and second-order metal-insulator phase transitions and topological aspects of a Hubbard-Rashba system

NASA Astrophysics Data System (ADS)

Marcelino, Edgar

2017-05-01

This paper considers a model consisting of a kinetic term, Rashba spin-orbit coupling and short-range Coulomb interaction at zero temperature. The Coulomb interaction is decoupled by a mean-field approximation in the spin channel using field theory methods. The results feature a first-order phase transition for any finite value of the chemical potential and quantum criticality for vanishing chemical potential. The Hall conductivity is also computed using the Kubo formula in a mean-field effective Hamiltonian. In the limit of infinite mass the kinetic term vanishes and all the phase transitions are of second order; in this case the spontaneous symmetry-breaking mechanism adds a ferromagnetic metallic phase to the system and features a zero-temperature quantization of the Hall conductivity in the insulating one.

Attitude-Independent Magnetometer Calibration for Spin-Stabilized Spacecraft

NASA Technical Reports Server (NTRS)

Natanson, Gregory

2005-01-01

The paper describes a three-step estimator to calibrate a Three-Axis Magnetometer (TAM) using TAM and slit Sun or star sensor measurements. In the first step, the Calibration Utility forms a loss function from the residuals of the magnitude of the geomagnetic field. This loss function is minimized with respect to biases, scale factors, and nonorthogonality corrections. The second step minimizes residuals of the projection of the geomagnetic field onto the spin axis under the assumption that spacecraft nutation has been suppressed by a nutation damper. Minimization is done with respect to various directions of the body spin axis in the TAM frame. The direction of the spin axis in the inertial coordinate system required for the residual computation is assumed to be unchanged with time. It is either determined independently using other sensors or included in the estimation parameters. In both cases all estimation parameters can be found using simple analytical formulas derived in the paper. The last step is to minimize a third loss function formed by residuals of the dot product between the geomagnetic field and Sun or star vector with respect to the misalignment angle about the body spin axis. The method is illustrated by calibrating TAM for the Fast Auroral Snapshot Explorer (FAST) using in-flight TAM and Sun sensor data. The estimated parameters include magnetic biases, scale factors, and misalignment angles of the spin axis in the TAM frame. Estimation of the misalignment angle about the spin axis was inconclusive since (at least for the selected time interval) the Sun vector was about 15 degrees from the direction of the spin axis; as a result residuals of the dot product between the geomagnetic field and Sun vectors were to a large extent minimized as a by-product of the second step.

Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy.

PubMed

Wang, Zechao; Tavabi, Amir H; Jin, Lei; Rusz, Ján; Tyutyunnikov, Dmitry; Jiang, Hanbo; Moritomo, Yutaka; Mayer, Joachim; Dunin-Borkowski, Rafal E; Yu, Rong; Zhu, Jing; Zhong, Xiaoyan

2018-03-01

In order to obtain a fundamental understanding of the interplay between charge, spin, orbital and lattice degrees of freedom in magnetic materials and to predict and control their physical properties 1-3 , experimental techniques are required that are capable of accessing local magnetic information with atomic-scale spatial resolution. Here, we show that a combination of electron energy-loss magnetic chiral dichroism 4 and chromatic-aberration-corrected transmission electron microscopy, which reduces the focal spread of inelastically scattered electrons by orders of magnitude when compared with the use of spherical aberration correction alone, can achieve atomic-scale imaging of magnetic circular dichroism and provide element-selective orbital and spin magnetic moments atomic plane by atomic plane. This unique capability, which we demonstrate for Sr 2 FeMoO 6 , opens the door to local atomic-level studies of spin configurations in a multitude of materials that exhibit different types of magnetic coupling, thereby contributing to a detailed understanding of the physical origins of magnetic properties of materials at the highest spatial resolution.

Characterization of the fluid and solid components of cyanogel systems during the gelation process

NASA Astrophysics Data System (ADS)

Fortmeyer, Ivy Camille

The work in this thesis concerns the sol-gel transformation in cyanogel systems comprised of d8 square planar chlorometalates (M=Pd(II), Pt(II)) and d6 octahedral hexacyanometalates (M=Fe(II), Co(III), Ru(II)). The body of this thesis is split into two chapters. The first chapter examines the physical changes in the solvent phase of the sol-gel network, and the second focuses on the polymer backbone of the gel. Studies on the water component of cyanogel systems during the gelation process were carried out with a variety of in situ spectroscopic techniques. The use of high resolution-magic angle spinning nuclear magnetic resonance (HR-MAS NMR) to identify and characterize different water environments was explored, but was ultimately found to disrupt gelation. Standard solution-phase 1H NMR proved sufficient for calculation and qualitative modeling of spin-spin and spin-lattice relaxations, providing distinct spectral markers of the gelation point and subsequent aging process. Vibrational spectroscopy was used to explore the hydrogen bonding environment of the water during gelation. The kinetics of polymerization of the cyanogel backbone was explored using both in situ and ex situ techniques. Data collected by 13C NMR and 195Pt NMR primarily demonstrated first order kinetics, implying a dissociative substitution mechanism at the chlorometalate center. Rate constants for gelation in the presence of various added monopotassium and nitrate salts were calculated. Added chloride was found to significantly slow gelation and was further explored using NMR and vibrational spectroscopy. A mechanism was proposed for the polymerization taking into account the dissociative substitution and the bridging geometries implied by 13C NMR.

Generalized Stoner criterion and versatile spin ordering in two-dimensional spin-orbit coupled electron systems

NASA Astrophysics Data System (ADS)

Liu, Weizhe Edward; Chesi, Stefano; Webb, David; Zülicke, U.; Winkler, R.; Joynt, Robert; Culcer, Dimitrie

2017-12-01

Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of materials and has been the subject of considerable ongoing research and controversy. Here we demonstrate that interacting two-dimensional electron systems with strong spin-orbit coupling exhibit a variety of time reversal symmetry breaking phases with unconventional spin alignment. We first prove that a Stoner-type criterion can be formulated for the spin polarization response to an electric field, which predicts that the spin polarization susceptibility diverges at a certain value of the electron-electron interaction strength. The divergence indicates the possibility of unconventional ferromagnetic phases even in the absence of any applied electric or magnetic field. This leads us, in the second part of this work, to study interacting Rashba spin-orbit coupled semiconductors in equilibrium in the Hartree-Fock approximation as a generic minimal model. Using classical Monte Carlo simulations, we construct the complete phase diagram of the system as a function of density and spin-orbit coupling strength. It includes both an out-of-plane spin-polarized phase and in-plane spin-polarized phases with shifted Fermi surfaces and rich spin textures, reminiscent of the Pomeranchuk instability, as well as two different Fermi-liquid phases having one and two Fermi surfaces, respectively, which are separated by a Lifshitz transition. We discuss possibilities for experimental observation and useful application of these novel phases, especially in the context of electric-field-controlled macroscopic spin polarizations.

Mixed-order phase transition in a minimal, diffusion-based spin model.

PubMed

Fronczak, Agata; Fronczak, Piotr

2016-07-01

In this paper we exactly solve, within the grand canonical ensemble, a minimal spin model with the hybrid phase transition. We call the model diffusion based because its Hamiltonian can be recovered from a simple dynamic procedure, which can be seen as an equilibrium statistical mechanics representation of a biased random walk. We outline the derivation of the phase diagram of the model, in which the triple point has the hallmarks of the hybrid transition: discontinuity in the average magnetization and algebraically diverging susceptibilities. At this point, two second-order transition curves meet in equilibrium with the first-order curve, resulting in a prototypical mixed-order behavior.

Spin-flop quasi-first order phase transition and putative tricritical point in Gd3Co

NASA Astrophysics Data System (ADS)

Samatham, S. Shanmukharao; Barua, Soumendu; Suresh, K. G.

2017-12-01

Magnetic nature of Gd3Co is investigated using detailed measurements of temperature and field dependent magnetization. The antiferromagnetic phase is field-instable due to prevailing ferromagnetic exchange correlations above Néel temperature TN ∼ 130K . Below TN , with gradually increasing magnetic fields, the compound undergoes a quasi-first order phase transition from AFM to spin-flop over region and eventually acquires ferromagnetic phase in higher fields. Further the point at which the quasi-first order transition ends and second order transition sets in is the tricritical point, TTCP ∼ 125.6K , HTCP ∼ 4.4kOe .

Next-to-next-to-leading order gravitational spin-orbit coupling via the effective field theory for spinning objects in the post-Newtonian scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levi, Michele; Steinhoff, Jan, E-mail: michele.levi@upmc.fr, E-mail: jan.steinhoff@aei.mpg.de

2016-01-01

We implement the effective field theory for gravitating spinning objects in the post-Newtonian scheme at the next-to-next-to-leading order level to derive the gravitational spin-orbit interaction potential at the third and a half post-Newtonian order for rapidly rotating compact objects. From the next-to-next-to-leading order interaction potential, which we obtain here in a Lagrangian form for the first time, we derive straightforwardly the corresponding Hamiltonian. The spin-orbit sector constitutes the most elaborate spin dependent sector at each order, and accordingly we encounter a proliferation of the relevant Feynman diagrams, and a significant increase of the computational complexity. We present in detail themore » evaluation of the interaction potential, going over all contributing Feynman diagrams. The computation is carried out in terms of the ''nonrelativistic gravitational'' fields, which are advantageous also in spin dependent sectors, together with the various gauge choices included in the effective field theory for gravitating spinning objects, which also optimize the calculation. In addition, we automatize the effective field theory computations, and carry out the automated computations in parallel. Such automated effective field theory computations would be most useful to obtain higher order post-Newtonian corrections. We compare our Hamiltonian to the ADM Hamiltonian, and arrive at a complete agreement between the ADM and effective field theory results. Finally, we provide Hamiltonians in the center of mass frame, and complete gauge invariant relations among the binding energy, angular momentum, and orbital frequency of an inspiralling binary with generic compact spinning components to third and a half post-Newtonian order. The derivation presented here is essential to obtain further higher order post-Newtonian corrections, and to reach the accuracy level required for the successful detection of gravitational radiation.« less

Dispersion interactions between neighboring Bi atoms in (BiH3 )2 and Te(BiR2 )2.

PubMed

Haack, Rebekka; Schulz, Stephan; Jansen, Georg

2018-03-13

Triggered by the observation of a short Bi⋯Bi distance and a BiTeBi bond angle of only 86.6° in the crystal structure of bis(diethylbismuthanyl)tellurane quantum chemical computations on interactions between neighboring Bi atoms in Te(BiR 2 ) 2 molecules (R = H, Me, Et) and in (BiH 3 ) 2 were undertaken. Bi⋯Bi distances atoms were found to significantly shorten upon inclusion of the d shells of the heavy metal atoms into the electron correlation treatment, and it was confirmed that interaction energies from spin component-scaled second-order Møller-Plesset theory (SCS-MP2) agree well with coupled-cluster singles and doubles theory including perturbative triples (CCSD(T)). Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT) was used to study the anisotropy of the interplay of dispersion attraction and steric repulsion between the Bi atoms. Finally, geometries and relative stabilities of syn-syn and syn-anti conformers of Te(BiR 2 ) 2 (R = H, Me, Et) and interconversion barriers between them were computed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Strong spin-photon coupling in silicon

NASA Astrophysics Data System (ADS)

Samkharadze, N.; Zheng, G.; Kalhor, N.; Brousse, D.; Sammak, A.; Mendes, U. C.; Blais, A.; Scappucci, G.; Vandersypen, L. M. K.

2018-03-01

Long coherence times of single spins in silicon quantum dots make these systems highly attractive for quantum computation, but how to scale up spin qubit systems remains an open question. As a first step to address this issue, we demonstrate the strong coupling of a single electron spin and a single microwave photon. The electron spin is trapped in a silicon double quantum dot, and the microwave photon is stored in an on-chip high-impedance superconducting resonator. The electric field component of the cavity photon couples directly to the charge dipole of the electron in the double dot, and indirectly to the electron spin, through a strong local magnetic field gradient from a nearby micromagnet. Our results provide a route to realizing large networks of quantum dot–based spin qubit registers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, I.Y.; Tirziu, A.; Tseytlin, A.A.

We consider circular strings rotating with equal spins S{sub 1}=S{sub 2}=S in two orthogonal planes in AdS{sub 5} and suggest that they may be dual to long gauge-theory operators built out of self-dual components of gauge field strength. As was found in hep-th/0404187, the one-loop anomalous dimensions of the such gauge-theory operators are described by an antiferromagnetic XXX{sub 1} spin chain and scale linearly with length L>>1. We find that in the case of rigid rotating string both the classical energy E{sub 0} and the 1-loop string correction E{sub 1} depend linearly on the spin S (within the stability regionmore » of the solution). This supports the identification of the rigid rotating string with the gauge-theory operator corresponding to the maximal-spin (ferromagnetic) state of the XXX{sub 1} spin chain. The energy of more general rotating and pulsating strings also happens to scale linearly with both the spin and the oscillation number. Such solutions should be dual to other lower-spin states of the spin chain, with the antiferromagnetic ground state presumably corresponding to the string pulsating in two planes with no rotation.« less

Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence

PubMed Central

Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J.L.; Liu, Ren-Bao

2014-01-01

Central spin decoherence caused by nuclear spin baths is often a critical issue in various quantum computing schemes, and it has also been used for sensing single-nuclear spins. Recent theoretical studies suggest that central spin decoherence can act as a probe of many-body physics in spin baths; however, identification and detection of many-body correlations of nuclear spins in nanoscale systems are highly challenging. Here, taking a phosphorus donor electron spin in a 29Si nuclear spin bath as our model system, we discover both theoretically and experimentally that many-body correlations in nanoscale nuclear spin baths produce identifiable signatures in decoherence of the central spin under multiple-pulse dynamical decoupling control. We demonstrate that under control by an odd or even number of pulses, the central spin decoherence is principally caused by second- or fourth-order nuclear spin correlations, respectively. This study marks an important step toward studying many-body physics using spin qubits. PMID:25205440

Experimental quantification of decoherence via the Loschmidt echo in a many spin system with scaled dipolar Hamiltonians

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buljubasich, Lisandro; Dente, Axel D.; Levstein, Patricia R.

2015-10-28

We performed Loschmidt echo nuclear magnetic resonance experiments to study decoherence under a scaled dipolar Hamiltonian by means of a symmetrical time-reversal pulse sequence denominated Proportionally Refocused Loschmidt (PRL) echo. The many-spin system represented by the protons in polycrystalline adamantane evolves through two steps of evolution characterized by the secular part of the dipolar Hamiltonian, scaled down with a factor |k| and opposite signs. The scaling factor can be varied continuously from 0 to 1/2, giving access to a range of complexity in the dynamics. The experimental results for the Loschmidt echoes showed a spreading of the decay rates thatmore » correlate directly to the scaling factors |k|, giving evidence that the decoherence is partially governed by the coherent dynamics. The average Hamiltonian theory was applied to give an insight into the spin dynamics during the pulse sequence. The calculations were performed for every single radio frequency block in contrast to the most widely used form. The first order of the average Hamiltonian numerically computed for an 8-spin system showed decay rates that progressively decrease as the secular dipolar Hamiltonian becomes weaker. Notably, the first order Hamiltonian term neglected by conventional calculations yielded an explanation for the ordering of the experimental decoherence rates. However, there is a strong overall decoherence observed in the experiments which is not reflected by the theoretical results. The fact that the non-inverted terms do not account for this effect is a challenging topic. A number of experiments to further explore the relation of the complete Hamiltonian with this dominant decoherence rate are proposed.« less

Spin foam propagator: A new perspective to include the cosmological constant

NASA Astrophysics Data System (ADS)

Han, Muxin; Huang, Zichang; Zipfel, Antonia

2018-04-01

In recent years, the calculation of the first nonvanishing order of the metric 2-point function or graviton propagator in a semiclassical limit has evolved as a standard test for the credibility of a proposed spin foam model. The existing results of spin foam graviton propagators rely heavily on the so-called double scaling limit where spins j are large and the Barbero-Immirzi parameter γ is small such that the area A ∝j γ is approximately constant. However, it seems that this double scaling limit is bound to break down in models including a cosmological constant. We explore this in detail for the recently proposed model [7 H. M. Haggard, M. Han, W. Kaminski, and A. Riello, Nucl. Phys. B900, 1 (2015), 10.1016/j.nuclphysb.2015.08.023.] by Haggard, Han, Kaminski, and Riello and discuss alternative definitions of a graviton propagator, in which the double scaling limit can be avoided.

Measuring absolute spin polarization in dissolution-DNP by Spin PolarimetrY Magnetic Resonance (SPY-MR).

PubMed

Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami

2015-11-01

Dynamic nuclear polarization at 1.2 K and 6.7 T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (ΔE

Molecules in high spin states: The millimeter and submillimeter spectrum of the MnS radical (X 6Sigma+)

NASA Astrophysics Data System (ADS)

Thompsen, J. M.; Brewster, M. A.; Ziurys, L. M.

2002-06-01

The pure rotational spectrum of MnS (v=0) in its X 6Sigma+ ground state has been recorded using millimeter and submillimeter direct absorption techniques in the range 160-502 GHz. MnS was synthesized in the gas phase by the reaction of manganese vapor and CS2 in a high-temperature Broida-type oven. Fourteen rotational transitions for this radical were measured, each consisting of six fine-structure components. In the lower rotational lines, hyperfine structure, arising from the 55Mn nuclear spin of 5/2, was also resolved in each spin component. These data were analyzed using a case (b) Hamiltonian, and rotational, fine structure, and hyperfine parameters determined for MnS. In the analysis, the third-order correction to the spin-rotation interaction, gammaS, and the fourth-order spin-spin coupling term, theta, were found necessary for an acceptable fit. The hyperfine constants determined suggest that MnS is more covalent than MnO, but more ionic than MnH. There additionally appears to be considerable sdsigma hybridization in molecular orbital formation for this molecule. Bond lengths of the 3d transition-metal sulfides were compared as well, and those of MnS, CuS, and TiS do not follow the trend of their oxide analogs. This result indicates that there are significant bonding differences between transition-metal sulfides and transition-metal oxides.

Field-induced spin density wave and spiral phases in a layered antiferromagnet

DOE PAGES

Stone, Matthew B.; Lumsden, Mark D.; Garlea, Vasile O.; ...

2015-07-28

Here we determine the low-field ordered magnetic phases of the S=1 dimerized antiferromagnet Ba 3Mn 2O 8 using single crystal neutron diffraction. We find that for magnetic fields between μ 0H=8.80 T and 10.56 T applied along themore » $$1\\bar{1}0$$ direction the system exhibits spin density wave order with incommensurate wave vectors of type (η,η,ε). For μ 0H > 10.56 T, the magnetic order changes to a spiral phase with incommensurate wave vectors only along the [hh0] direction. For both field induced ordered phases, the magnetic moments are lying in the plane perpendicular to the field direction. Finally, the nature of these two transitions is fundamentally different: the low-field transition is a second order transition to a spin-density wave ground state, while the one at higher field, toward the spiral phase, is of first order.« less

Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.

PubMed

Maurer, S A; Kussmann, J; Ochsenfeld, C

2014-08-07

We present a low-prefactor, cubically scaling scaled-opposite-spin second-order Møller-Plesset perturbation theory (SOS-MP2) method which is highly suitable for massively parallel architectures like graphics processing units (GPU). The scaling is reduced from O(N⁵) to O(N³) by a reformulation of the MP2-expression in the atomic orbital basis via Laplace transformation and the resolution-of-the-identity (RI) approximation of the integrals in combination with efficient sparse algebra for the 3-center integral transformation. In contrast to previous works that employ GPUs for post Hartree-Fock calculations, we do not simply employ GPU-based linear algebra libraries to accelerate the conventional algorithm. Instead, our reformulation allows to replace the rate-determining contraction step with a modified J-engine algorithm, that has been proven to be highly efficient on GPUs. Thus, our SOS-MP2 scheme enables us to treat large molecular systems in an accurate and efficient manner on a single GPU-server.

Mobile bound states of Rydberg excitations in a lattice

NASA Astrophysics Data System (ADS)

Letscher, Fabian; Petrosyan, David

2018-04-01

Spin-lattice models play a central role in the studies of quantum magnetism and nonequilibrium dynamics of spin excitations—-magnons. We show that a spin lattice with strong nearest-neighbor interactions and tunable long-range hopping of excitations can be realized by a regular array of laser-driven atoms, with an excited Rydberg state representing the spin-up state and a Rydberg-dressed ground state corresponding to the spin-down state. We find exotic interaction-bound states of magnons that propagate in the lattice via the combination of resonant two-site hopping and nonresonant second-order hopping processes. Arrays of trapped Rydberg-dressed atoms can thus serve as a flexible platform to simulate and study fundamental few-body dynamics in spin lattices.

Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

NASA Astrophysics Data System (ADS)

Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

2016-06-01

Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

Spin-neurons: A possible path to energy-efficient neuromorphic computers

NASA Astrophysics Data System (ADS)

Sharad, Mrigank; Fan, Deliang; Roy, Kaushik

2013-12-01

Recent years have witnessed growing interest in the field of brain-inspired computing based on neural-network architectures. In order to translate the related algorithmic models into powerful, yet energy-efficient cognitive-computing hardware, computing-devices beyond CMOS may need to be explored. The suitability of such devices to this field of computing would strongly depend upon how closely their physical characteristics match with the essential computing primitives employed in such models. In this work, we discuss the rationale of applying emerging spin-torque devices for bio-inspired computing. Recent spin-torque experiments have shown the path to low-current, low-voltage, and high-speed magnetization switching in nano-scale magnetic devices. Such magneto-metallic, current-mode spin-torque switches can mimic the analog summing and "thresholding" operation of an artificial neuron with high energy-efficiency. Comparison with CMOS-based analog circuit-model of a neuron shows that "spin-neurons" (spin based circuit model of neurons) can achieve more than two orders of magnitude lower energy and beyond three orders of magnitude reduction in energy-delay product. The application of spin-neurons can therefore be an attractive option for neuromorphic computers of future.

Spin-neurons: A possible path to energy-efficient neuromorphic computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharad, Mrigank; Fan, Deliang; Roy, Kaushik

Recent years have witnessed growing interest in the field of brain-inspired computing based on neural-network architectures. In order to translate the related algorithmic models into powerful, yet energy-efficient cognitive-computing hardware, computing-devices beyond CMOS may need to be explored. The suitability of such devices to this field of computing would strongly depend upon how closely their physical characteristics match with the essential computing primitives employed in such models. In this work, we discuss the rationale of applying emerging spin-torque devices for bio-inspired computing. Recent spin-torque experiments have shown the path to low-current, low-voltage, and high-speed magnetization switching in nano-scale magnetic devices.more » Such magneto-metallic, current-mode spin-torque switches can mimic the analog summing and “thresholding” operation of an artificial neuron with high energy-efficiency. Comparison with CMOS-based analog circuit-model of a neuron shows that “spin-neurons” (spin based circuit model of neurons) can achieve more than two orders of magnitude lower energy and beyond three orders of magnitude reduction in energy-delay product. The application of spin-neurons can therefore be an attractive option for neuromorphic computers of future.« less

Influence of uniaxial single-ion anisotropy on the magnetic and thermal properties of Heisenberg antiferromagnets within unified molecular field theory

NASA Astrophysics Data System (ADS)

Johnston, David C.

2017-03-01

The influence of uniaxial single-ion anisotropy -D Sz2 on the magnetic and thermal properties of Heisenberg antiferromagnets (AFMs) is investigated. The uniaxial anisotropy is treated exactly and the Heisenberg interactions are treated within unified molecular field theory (MFT) [Phys. Rev. B 91, 064427 (2015), 10.1103/PhysRevB.91.064427], where thermodynamic variables are expressed in terms of directly measurable parameters. The properties of collinear AFMs with ordering along the z axis (D >0 ) in applied field Hz=0 are calculated versus D and temperature T , including the ordered moment μ , the Néel temperature TN, the magnetic entropy, internal energy, heat capacity, and the anisotropic magnetic susceptibilities χ∥ and χ⊥ in the paramagnetic (PM) and AFM states. The high-field average magnetization per spin μz(Hz,D ,T ) is found, and the critical field Hc(D ,T ) is derived at which the second-order AFM to PM phase transition occurs. The magnetic properties of the spin-flop (SF) phase are calculated, including the zero-field properties TN(D ) and μ (D ,T ) . The high-field μz(Hz,D ,T ) is determined, together with the associated spin-flop field HSF(D ,T ) at which a second-order SF to PM phase transition occurs. The free energies of the AFM, SF, and PM phases are derived from which Hz-T phase diagrams are constructed. For fJ=-1 and -0.75 , where fJ=θp J/TN J and θp J and TN J are the Weiss temperature in the Curie-Weiss law and the Néel temperature due to exchange interactions alone, respectively, phase diagrams in the Hz-T plane similar to previous results are obtained. However, for fJ=0 we find a topologically different phase diagram where a spin-flop bubble with PM and AFM boundaries occurs at finite Hz and T . Also calculated are properties arising from a perpendicular magnetic field, including the perpendicular susceptibility χ⊥(D ,T ) , the associated effective torque at low fields arising from the -D Sz2 term in the Hamiltonian, the high-field perpendicular magnetization μ⊥, and the perpendicular critical field Hc ⊥ at which the second-order AFM to PM phase transition occurs. In addition to the above results for D >0 , the TN(D ) and ordered moment μ (T ,D ) for collinear AFM ordering along the x axis with D <0 are determined. In order to compare the properties of the above spin systems with those of noninteracting systems with -D Sz2 uniaxial anisotropy with either sign of D , Supplemental Material is provided in which results for the thermal and magnetic properties of such noninteracting spin systems are given.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnston, David C.

Here, the influence of uniaxial single-ion anisotropy –DS 2 z on the magnetic and thermal properties of Heisenberg antiferromagnets (AFMs) is investigated. The uniaxial anisotropy is treated exactly and the Heisenberg interactions are treated within unified molecular field theory (MFT), where thermodynamic variables are expressed in terms of directly measurable parameters. The properties of collinear AFMs with ordering along the z axis (D>0) in applied field H z = 0 are calculated versus D and temperature T, including the ordered moment μ, the Néel temperature T N, the magnetic entropy, internal energy, heat capacity, and the anisotropic magnetic susceptibilities χmore » ∥ and χ ⊥ in the paramagnetic (PM) and AFM states. The high-field average magnetization per spin μ z(H z,D,T) is found, and the critical field H c(D,T) is derived at which the second-order AFM to PM phase transition occurs. The magnetic properties of the spin-flop (SF) phase are calculated, including the zero-field properties T N(D) and μ(D,T). The high-field μ z(H z,D,T) is determined, together with the associated spin-flop field H SF(D,T) at which a second-order SF to PM phase transition occurs. The free energies of the AFM, SF, and PM phases are derived from which H z–T phase diagrams are constructed. For f J =–1 and –0.75, where f J = θ pJ/T NJ and θ pJ and T NJ are the Weiss temperature in the Curie-Weiss law and the Néel temperature due to exchange interactions alone, respectively, phase diagrams in the H z–T plane similar to previous results are obtained. However, for f J = 0 we find a topologically different phase diagram where a spin-flop bubble with PM and AFM boundaries occurs at finite H z and T. Also calculated are properties arising from a perpendicular magnetic field, including the perpendicular susceptibility χ ⊥(D,T), the associated effective torque at low fields arising from the –DS 2 z term in the Hamiltonian, the high-field perpendicular magnetization μ ⊥, and the perpendicular critical field H c⊥ at which the second-order AFM to PM phase transition occurs. In addition to the above results for D > 0, the T N(D) and ordered moment μ(T,D) for collinear AFM ordering along the x axis with D < 0 are determined. In order to compare the properties of the above spin systems with those of noninteracting systems with –DS 2 z uniaxial anisotropy with either sign of D, Supplemental Material is provided in which results for the thermal and magnetic properties of such noninteracting spin systems are given.« less

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

PubMed

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

2016-08-25

This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

DOE PAGES

Song, Chenchen; Martinez, Todd J.

2017-08-29

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

NASA Astrophysics Data System (ADS)

Song, Chenchen; Martínez, Todd J.

2017-10-01

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. The resulting energy conservation in micro-canonical AIMD demonstrates that the implementation provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.

Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Chenchen; Martinez, Todd J.

Analytic energy gradients for tensor hyper-contraction (THC) are derived and implemented for second-order Møller-Plesset perturbation theory (MP2), with and without the scaled-opposite-spin (SOS)-MP2 approximation. By exploiting the THC factorization, the formal scaling of MP2 and SOS-MP2 gradient calculations with respect to system size is reduced to quartic and cubic, respectively. An efficient implementation has been developed that utilizes both graphics processing units and sparse tensor techniques exploiting spatial sparsity of the atomic orbitals. THC-MP2 has been applied to both geometry optimization and ab initio molecular dynamics (AIMD) simulations. Furthermore, the resulting energy conservation in micro-canonical AIMD demonstrates that the implementationmore » provides accurate nuclear gradients with respect to the THC-MP2 potential energy surfaces.« less

(14)N overtone transition in double rotation solid-state NMR.

PubMed

Haies, Ibraheem M; Jarvis, James A; Brown, Lynda J; Kuprov, Ilya; Williamson, Philip T F; Carravetta, Marina

2015-10-07

Solid-state NMR transitions involving outer energy levels of the spin-1 (14)N nucleus are immune, to first order in perturbation theory, to the broadening caused by the nuclear quadrupole interaction. The corresponding overtone spectra, when acquired in conjunction with magic-angle sample spinning, result in lines, which are just a few kHz wide, permitting the direct detection of nitrogen compounds without the need for labeling. Despite the success of this technique, "overtone" resonances are still broadened due to indirect, second order effects arising from the large quadrupolar interaction. Here we demonstrate that another order of magnitude in spectral resolution may be gained by using double rotation. This brings the width of the (14)N solid-state NMR lines much closer to the region commonly associated with high-resolution solid-state NMR spectroscopy of (15)N and demonstrates the improvements in resolution that may be possible through the development of pulsed methodologies to suppress these second order effects.

Manifolds of magnetic ordered states and excitations in the almost Heisenberg pyrochlore antiferromagnet MgCr2O4

NASA Astrophysics Data System (ADS)

Gao, S.; Guratinder, K.; Stuhr, U.; White, J. S.; Mansson, M.; Roessli, B.; Fennell, T.; Tsurkan, V.; Loidl, A.; Ciomaga Hatnean, M.; Balakrishnan, G.; Raymond, S.; Chapon, L.; Garlea, V. O.; Savici, A. T.; Cervellino, A.; Bombardi, A.; Chernyshov, D.; Rüegg, Ch.; Haraldsen, J. T.; Zaharko, O.

2018-04-01

In spinels A Cr2O4(A =Mg, Zn), realization of the classical pyrochlore Heisenberg antiferromagnet model is complicated by a strong spin-lattice coupling: the extensive degeneracy of the ground state is lifted by a magneto-structural transition at TN=12.5 K. We study the resulting low-temperature low-symmetry crystal structure by synchrotron x-ray diffraction. The consistent features of x-ray low-temperature patterns are explained by the tetragonal model of Ehrenberg et al. [Pow. Diff. 17, 230 (2002), 10.1154/1.1479738], while other features depend on sample or cooling protocol. A complex, partially ordered magnetic state is studied by neutron diffraction and spherical neutron polarimetry. Multiple magnetic domains of configuration arms of the propagation vectors k1=(1/2 1/2 0 ) ,k2=(1 0 1/2 ) appear. The ordered moment reaches 1.94(3) μB/Cr3 + for k1 and 2.08(3) μB/Cr3 + for k2, if equal amount of the k1 and k2 phases is assumed. The magnetic arrangements have the dominant components along the [110] and [1 -10 ] diagonals and a smaller c component. We use inelastic neutron scattering to investigate the spin excitations, which comprise a mixture of dispersive spin waves propagating from the magnetic Bragg peaks and resonance modes centered at equal energy steps of 4.5 meV. We interpret these as acoustic and optical spin wave branches, but show that the neutron scattering cross sections of transitions within a unit of two corner-sharing tetrahedra match the observed intensity distribution of the resonances. The distinctive fingerprint of clusterlike excitations in the optical spin wave branches suggests that propagating excitations are localized by the complex crystal structure and magnetic orders.

Towards Simulating the Transverse Ising Model in a 2D Array of Trapped Ions

NASA Astrophysics Data System (ADS)

Sawyer, Brian

2013-05-01

Two-dimensional Coulomb crystals provide a useful platform for large-scale quantum simulation. Penning traps enable confinement of large numbers of ions (>100) and allow for the tunable-range spin-spin interactions demonstrated in linear ion strings, facilitating simulation of quantum magnetism at a scale that is currently intractable on classical computers. We readily confine hundreds of Doppler laser-cooled 9Be+ within a Penning trap, producing a planar array of ions with self-assembled triangular order. The transverse ``drumhead'' modes of our 2D crystal along with the valence electron spin of Be+ serve as a resource for generating spin-motion and spin-spin entanglement. Applying a spin-dependent optical dipole force (ODF) to the ion array, we perform spectroscopy and thermometry of individual drumhead modes. This ODF also allows us to engineer long-range Ising spin couplings of either ferromagnetic or anti-ferromagnetic character whose approximate power-law scaling with inter-ion distance, d, may be varied continuously from 1 /d0 to 1 /d3. An effective transverse magnetic field is applied via microwave radiation at the ~124-GHz spin-flip frequency, and ground states of the effective Ising Hamiltonian may in principle be prepared adiabatically by slowly decreasing this transverse field in the presence of the induced Ising coupling. Long-range anti-ferromagnetic interactions are of particular interest due to their inherent spin frustration and resulting large, near-degenerate manifold of ground states. We acknowledge support from NIST and the DARPA-OLE program.

Quantum Coherence and Random Fields at Mesoscopic Scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenbaum, Thomas F.

2016-03-01

We seek to explore and exploit model, disordered and geometrically frustrated magnets where coherent spin clusters stably detach themselves from their surroundings, leading to extreme sensitivity to finite frequency excitations and the ability to encode information. Global changes in either the spin concentration or the quantum tunneling probability via the application of an external magnetic field can tune the relative weights of quantum entanglement and random field effects on the mesoscopic scale. These same parameters can be harnessed to manipulate domain wall dynamics in the ferromagnetic state, with technological possibilities for magnetic information storage. Finally, extensions from quantum ferromagnets tomore » antiferromagnets promise new insights into the physics of quantum fluctuations and effective dimensional reduction. A combination of ac susceptometry, dc magnetometry, noise measurements, hole burning, non-linear Fano experiments, and neutron diffraction as functions of temperature, magnetic field, frequency, excitation amplitude, dipole concentration, and disorder address issues of stability, overlap, coherence, and control. We have been especially interested in probing the evolution of the local order in the progression from spin liquid to spin glass to long-range-ordered magnet.« less

Block correlated second order perturbation theory with a generalized valence bond reference function.

PubMed

Xu, Enhua; Li, Shuhua

2013-11-07

The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.

Hierarchy of Modes in an Interacting One-Dimensional System

NASA Astrophysics Data System (ADS)

Tsyplyatyev, O.; Schofield, A. J.; Jin, Y.; Moreno, M.; Tan, W. K.; Ford, C. J. B.; Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.

2015-05-01

Studying interacting fermions in one dimension at high energy, we find a hierarchy in the spectral weights of the excitations theoretically, and we observe evidence for second-level excitations experimentally. Diagonalizing a model of fermions (without spin), we show that levels of the hierarchy are separated by powers of R2/L2, where R is a length scale related to interactions and L is the system length. The first-level (strongest) excitations form a mode with parabolic dispersion, like that of a renormalized single particle. The second-level excitations produce a singular power-law line shape to the first-level mode and multiple power laws at the spectral edge. We measure momentum-resolved tunneling of electrons (fermions with spin) from or to a wire formed within a GaAs heterostructure, which shows parabolic dispersion of the first-level mode and well-resolved spin-charge separation at low energy with appreciable interaction strength. We find structure resembling the second-level excitations, which dies away quite rapidly at high momentum.

Observation of a hierarchy of modes in an interacting one-dimensional system

NASA Astrophysics Data System (ADS)

Ford, Christopher; Moreno, Maria; Jin, Yiqing; Tan, Wooi Kiat; Griffiths, Jon; Farrer, Ian; Jones, Geb; Anthore, Anne; Ritchie, David; Tsyplyatyev, Oleksandr; Schofield, Andrew

2015-03-01

Studying interacting fermions in 1D at high energy, we find a hierarchy in the spectral weights of the excitations theoretically and we observe evidence for second-level excitations experimentally. Diagonalising a model of fermions (without spin), we show that levels of the hierarchy are separated by powers of 2 /L2 , where  is a length-scale related to interactions and L is the system length. The first-level (strongest) excitations form a mode with parabolic dispersion, like that of a renormalised single particle. The second-level excitations produce a singular power-law line shape to the first-level mode and multiple power-laws at the spectral edge. We measure momentum-resolved tunneling of electrons (fermions with spin) from/to a wire formed within a GaAs heterostructure, which shows parabolic dispersion of the first-level mode and well-resolved spin-charge separation at low energy with appreciable interaction strength. We find structure resembling the second-level excitations, which dies away quite rapidly at high momentum.

LETTER TO THE EDITOR: On the relations between the zero-field splitting parameters in the extended Stevens operator notation and the conventional ones used in EMR for orthorhombic and lower symmetry

NASA Astrophysics Data System (ADS)

Rudowicz, C.

2000-06-01

Electron magnetic resonance (EMR) studies of paramagnetic species with the spin S ≥ 1 at orthorhombic symmetry sites require an axial zero-field splitting (ZFS) parameter and a rhombic one of the second order (k = 2), whereas at triclinic sites all five ZFS (k = 2) parameters are expressed in the crystallographic axis system. For the spin S ≥ 2 also the higher-order ZFS terms must be considered. In the principal axis system, instead of the five ZFS (k = 2) parameters, the two principal ZFS values can be used, as for orthorhombic symmetry; however, then the orientation of the principal axes with respect to the crystallographic axis system must be provided. Recently three serious cases of incorrect relations between the extended Stevens ZFS parameters and the conventional ones have been identified in the literature. The first case concerns a controversy concerning the second-order rhombic ZFS parameters and was found to have lead to misinterpretation, in a review article, of several values of either E or b22 published earlier. The second case concerns the set of five relations between the extended Stevens ZFS parameters bkq and the conventional ones Dij for triclinic symmetry, four of which turn out to be incorrect. The third case concerns the omission of the scaling factors fk for the extended Stevens ZFS parameters bkq. In all cases the incorrect relations in question have been published in spite of the earlier existence of the correct relations in the literature. The incorrect relations are likely to lead to further misinterpretation of the published values of the ZFS parameters for orthorhombic and lower symmetry. The purpose of this paper is to make the spectroscopists working in the area of EMR (including EPR and ESR) and related spectroscopies aware of the problem and to reduce proliferation of the incorrect relations.

Combined Molecular and Spin Dynamics Simulation of Lattice Vacancies in BCC Iron

NASA Astrophysics Data System (ADS)

Mudrick, Mark; Perera, Dilina; Eisenbach, Markus; Landau, David P.

Using an atomistic model that treats translational and spin degrees of freedom equally, combined molecular and spin dynamics simulations have been performed to study dynamic properties of BCC iron at varying levels of defect impurity. Atomic interactions are described by an empirical many-body potential, and spin interactions with a Heisenberg-like Hamiltonian with a coordinate dependent exchange interaction. Equations of motion are solved numerically using the second-order Suzuki-Trotter decomposition for the time evolution operator. We analyze the spatial and temporal correlation functions for atomic displacements and magnetic order to obtain the effect of vacancy defects on the phonon and magnon excitations. We show that vacancy clusters in the material cause splitting of the characteristic transverse spin-wave excitations, indicating the production of additional excitation modes. Additionally, we investigate the coupling of the atomic and magnetic modes. These modes become more distinct with increasing vacancy cluster size. This material is based upon work supported by the U.S. Department of Energy Office of Science Graduate Student Research (SCGSR) program.

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data.

PubMed

Pitonák, Michal; Neogrády, Pavel; Cerný, Jirí; Grimme, Stefan; Hobza, Pavel

2009-01-12

Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS-MP2, SCSN-MP2 and SCS(MI)-MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.

Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin-orbit splittings of light and heavy elements.

PubMed

Cao, Zhanli; Li, Zhendong; Wang, Fan; Liu, Wenjian

2017-02-01

The spin-separated exact two-component (X2C) relativistic Hamiltonian [sf-X2C+so-DKHn, J. Chem. Phys., 2012, 137, 154114] is combined with the equation-of-motion coupled-cluster method with singles and doubles (EOM-CCSD) for the treatment of spin-orbit splittings of open-shell molecular systems. Scalar relativistic effects are treated to infinite order from the outset via the spin-free part of the X2C Hamiltonian (sf-X2C), whereas the spin-orbit couplings (SOC) are handled at the CC level via the first-order Douglas-Kroll-Hess (DKH) type of spin-orbit operator (so-DKH1). Since the exponential of single excitations, i.e., exp(T 1 ), introduces sufficient spin orbital relaxations, the inclusion of SOC at the CC level is essentially the same in accuracy as the inclusion of SOC from the outset in terms of the two-component spinors determined variationally by the sf-X2C+so-DKH1 Hamiltonian, but is computationally more efficient. Therefore, such an approach (denoted as sf-X2C-EOM-CCSD(SOC)) can achieve uniform accuracy for the spin-orbit splittings of both light and heavy elements. For light elements, the treatment of SOC can even be postponed until the EOM step (denoted as sf-X2C-EOM(SOC)-CCSD), so as to further reduce the computational cost. To reveal the efficacy of sf-X2C-EOM-CCSD(SOC) and sf-X2C-EOM(SOC)-CCSD, the spin-orbit splittings of the 2 Π states of monohydrides up to the sixth row of the periodic table are investigated. The results show that sf-X2C-EOM-CCSD(SOC) predicts very accurate results (within 5%) for elements up to the fifth row, whereas sf-X2C-EOM(SOC)-CCSD is useful only for light elements (up to the third row but with some exceptions). For comparison, the sf-X2C-S-TD-DFT-SOC approach [spin-adapted open-shell time-dependent density functional theory, Mol. Phys., 2013, 111, 3741] is applied to the same systems. The overall accuracy (1-10%) is satisfactory.

Ultracold Atoms in a Square Lattice with Spin-Orbit Coupling: Charge Order, Superfluidity, and Topological Signatures

NASA Astrophysics Data System (ADS)

Rosenberg, Peter; Shi, Hao; Zhang, Shiwei

2017-12-01

We present an ab initio, numerically exact study of attractive fermions in square lattices with Rashba spin-orbit coupling. The ground state of this system is a supersolid, with coexisting charge and superfluid order. The superfluid is composed of both singlet and triplet pairs induced by spin-orbit coupling. We perform large-scale calculations using the auxiliary-field quantum Monte Carlo method to provide the first full, quantitative description of the charge, spin, and pairing properties of the system. In addition to characterizing the exotic physics, our results will serve as essential high-accuracy benchmarks for the intense theoretical and especially experimental efforts in ultracold atoms to realize and understand an expanding variety of quantum Hall and topological superconductor systems.

Direct Prediction of EPR Spectra from Lipid Bilayers: Understanding Structure and Dynamics in Biological Membranes.

PubMed

Catte, Andrea; White, Gaye F; Wilson, Mark R; Oganesyan, Vasily S

2018-06-02

Of the many biophysical techniques now being brought to bear on studies of membranes, electron paramagnetic resonance (EPR) of nitroxide spin probes was the first to provide information about both mobility and ordering in lipid membranes. Here, we report the first prediction of variable temperature EPR spectra of model lipid bilayers in the presence and absence of cholesterol from the results of large scale fully atomistic molecular dynamics (MD) simulations. Three types of structurally different spin probes were employed in order to study different parts of the bilayer. Our results demonstrate very good agreement with experiment and thus confirm the accuracy of the latest lipid force fields. The atomic resolution of the simulations allows the interpretation of the molecular motions and interactions in terms of their impact on the sensitive EPR line shapes. Direct versus indirect effects of cholesterol on the dynamics of spin probes are analysed. Given the complexity of structural organisation in lipid bilayers, the advantage of using a combined MD-EPR simulation approach is two-fold. Firstly, prediction of EPR line shapes directly from MD trajectories of actual phospholipid structures allows unambiguous interpretation of EPR spectra of biological membranes in terms of complex motions. Secondly, such an approach provides an ultimate test bed for the up-to-date MD simulation models employed in the studies of biological membranes, an area that currently attracts great attention. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Second derivatives for approximate spin projection methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, Lee M.; Hratchian, Hrant P., E-mail: hhratchian@ucmerced.edu

2015-02-07

The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical secondmore » derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.« less

Spin resonance and spin fluctuations in a quantum wire

NASA Astrophysics Data System (ADS)

Pokrovsky, V. L.

2017-02-01

This is a review of theoretical works on spin resonance in a quantum wire associated with the spin-orbit interaction. We demonstrate that the spin-orbit induced internal "magnetic field" leads to a narrow spin-flip resonance at low temperatures in the absence of an applied magnetic field. An applied dc magnetic field perpendicular to and small compared with the spin-orbit field enhances the resonance absorption by several orders of magnitude. The component of applied field parallel to the spin-orbit field separates the resonance frequencies of right and left movers and enables a linearly polarized ac electric field to produce a dynamic magnetization as well as electric and spin currents. We start with a simple model of noninteracting electrons and then consider the interaction that is not weak in 1d electron system. We show that electron spin resonance in the spin-orbit field persists in the Luttinger liquid. The interaction produces an additional singularity (cusp) in the spin-flip channel associated with the plasma oscillation. As it was shown earlier by Starykh and his coworkers, the interacting 1d electron system in the external field with sufficiently large parallel component becomes unstable with respect to the appearance of a spin-density wave. This instability suppresses the spin resonance. The observation of the electron spin resonance in a thin wires requires low temperature and high intensity of electromagnetic field in the terahertz diapason. The experiment satisfying these two requirements is possible but rather difficult. An alternative approach that does not require strong ac field is to study two-time correlations of the total spin of the wire with an optical method developed by Crooker and coworkers. We developed theory of such correlations. We prove that the correlation of the total spin component parallel to the internal magnetic field is dominant in systems with the developed spin-density waves but it vanishes in Luttinger liquid. Thus, the measurement of spin correlations is a diagnostic tool to distinguish between the two states of electronic liquid in the quantum wire.

Interaction of Strain and Nuclear Spins in Silicon: Quadrupolar Effects on Ionized Donors

NASA Astrophysics Data System (ADS)

Franke, David P.; Hrubesch, Florian M.; Künzl, Markus; Becker, Hans-Werner; Itoh, Kohei M.; Stutzmann, Martin; Hoehne, Felix; Dreher, Lukas; Brandt, Martin S.

2015-07-01

The nuclear spins of ionized donors in silicon have become an interesting quantum resource due to their very long coherence times. Their perfect isolation, however, comes at a price, since the absence of the donor electron makes the nuclear spin difficult to control. We demonstrate that the quadrupolar interaction allows us to effectively tune the nuclear magnetic resonance of ionized arsenic donors in silicon via strain and determine the two nonzero elements of the S tensor linking strain and electric field gradients in this material to S11=1.5 ×1022 V /m2 and S44=6 ×1022 V /m2 . We find a stronger benefit of dynamical decoupling on the coherence properties of transitions subject to first-order quadrupole shifts than on those subject to only second-order shifts and discuss applications of quadrupole physics including mechanical driving of magnetic resonance, cooling of mechanical resonators, and strain-mediated spin coupling.

Enhanced specific heat jump in electron-doped CaMnO3: Spin ordering driven by charge separation

NASA Astrophysics Data System (ADS)

Moritomo, Y.; Machida, A.; Nishibori, E.; Takata, M.; Sakata, M.

2001-12-01

Temperature variation of the magnetic susceptibility χ, resistivity ρ, specific heat C, and lattice constants has been investigated in electron-doped CaMnO3. The parent CaMnO3 is an antiferromagnetic band insulator, and shows an insulator-metal crossover with electron doping, together with an enhanced ferromagnetic component. We have found an enhancement of the specific heat jump ΔC at the spin-ordering temperature Tspin and interpreted the enhancement in terms of the intrinsic charge separation.

Multiple Quantum Coherences (MQ) NMR and Entanglement Dynamics in the Mixed-Three-Spin XXX Heisenberg Model with Single-Ion Anisotropy

NASA Astrophysics Data System (ADS)

Hamid, Arian Zad

2016-12-01

We analytically investigate Multiple Quantum (MQ) NMR dynamics in a mixed-three-spin (1/2,1,1/2) system with XXX Heisenberg model at the front of an external homogeneous magnetic field B. A single-ion anisotropy property ζ is considered for the spin-1. The intensities dependence of MQ NMR coherences on their orders (zeroth and second orders) for two pairs of spins (1,1/2) and (1/2,1/2) of the favorite tripartite system are obtained. It is also investigated dynamics of the pairwise quantum entanglement for the bipartite (sub)systems (1,1/2) and (1/2,1/2) permanently coupled by, respectively, coupling constants J}1 and J}2, by means of concurrence and fidelity. Then, some straightforward comparisons are done between these quantities and the intensities of MQ NMR coherences and ultimately some interesting results are reported. We also show that the time evolution of MQ coherences based on the reduced density matrix of the pair spins (1,1/2) is closely connected with the dynamics of the pairwise entanglement. Finally, we prove that one can introduce MQ coherence of the zeroth order corresponds to the pair spins (1,1/2) as an entanglement witness at some special time intervals.

First-Principles Calculations of Current-Induced Spin-Transfer Torques in Magnetic Domain Walls

NASA Astrophysics Data System (ADS)

Tang, Ling; Xu, Zhijun; Yang, Zejin

2013-05-01

Current-induced spin-transfer torques (STTs) have been studied in Fe, Co and Ni domain walls (DWs) by the method based on the first-principles noncollinear calculations of scattering wavefunctions expanded in the tight-binding linearized muffin-tin orbital (TB-LMTO) basis. The results show that the out-of-plane component of nonadiabatic STT in Fe DW has localized form, which is in contrast to the typical nonlocal oscillating nonadiabatic torques obtained in Co and Ni DWs. Meanwhile, the degree of nonadiabaticity in STT is also much greater for Fe DW. Further, our results demonstrate that compared to the well-known first-order nonadiabatic STT, the torque in the third-order spatial derivative of local spin can better describe the distribution of localized nonadiabatic STT in Fe DW. The dynamics of local spin driven by this third-order torques in Fe DW have been investigated by the Landau-Lifshitz-Gilbert (LLG) equation. The calculated results show that with the same amplitude of STTs the DW velocity induced by this third-order term is about half of the wall speed for the case of the first-order nonadiabatic STT.

Spherical integral transforms of second-order gravitational tensor components onto third-order gravitational tensor components

NASA Astrophysics Data System (ADS)

Šprlák, Michal; Novák, Pavel

2017-02-01

New spherical integral formulas between components of the second- and third-order gravitational tensors are formulated in this article. First, we review the nomenclature and basic properties of the second- and third-order gravitational tensors. Initial points of mathematical derivations, i.e., the second- and third-order differential operators defined in the spherical local North-oriented reference frame and the analytical solutions of the gradiometric boundary-value problem, are also summarized. Secondly, we apply the third-order differential operators to the analytical solutions of the gradiometric boundary-value problem which gives 30 new integral formulas transforming (1) vertical-vertical, (2) vertical-horizontal and (3) horizontal-horizontal second-order gravitational tensor components onto their third-order counterparts. Using spherical polar coordinates related sub-integral kernels can efficiently be decomposed into azimuthal and isotropic parts. Both spectral and closed forms of the isotropic kernels are provided and their limits are investigated. Thirdly, numerical experiments are performed to test the consistency of the new integral transforms and to investigate properties of the sub-integral kernels. The new mathematical apparatus is valid for any harmonic potential field and may be exploited, e.g., when gravitational/magnetic second- and third-order tensor components become available in the future. The new integral formulas also extend the well-known Meissl diagram and enrich the theoretical apparatus of geodesy.

Polarized neutron scattering studies of chiral criticality, and new universality classes of phase transitions

NASA Astrophysics Data System (ADS)

Plakhty, V. P.; Wosnitza, J.; Kulda, J.; Brückel, Th.; Schweika, W.; Visser, D.; Gavrilov, S. V.; Moskvin, E. V.; Kremer, R. K.; Banks, M. G.

2006-11-01

Using a novel polarised neutron scattering technique, the critical exponents for the spin chirality and chiral susceptibility are determined for the triangular lattice antiferromagnet (TLA) CsMnBr 3 in the ranges of reduced temperature τ>10 -3 and τ>7×10 -3, respectively. Their values, βC=0.44(2) and γC=0.85(3), together with the scaling relation α+2β+γ=2.13(9), including the critical exponent where α for the specific heat, prove that the spin-ordering transition belongs to the XY chiral universality class. In the case of helimagnet Ho, it is found that β-2β=0.14(4), where β is the staggered magnetisation exponent. The scaling relation α+2β+γ=2 could be fulfilled with a reasonable α=0.23(4), although for the chiral critical exponents βC=0.90(2) and γC=0.69(5) one needs α=-0.49(5) in contradiction with any experimental data. As the scaling relation always holds, we assume that the spin-ordering transition in Ho is of the first order. In the quantum antiferromagnet CsCuCl 3, a triangular spin order coexists with a long-period Dzyaloshinskii helix. The Dzyaloshinskii axial vector should remove the helix chiral degeneracy, which has not been observed in reality. The critical exponent β=0.22(2) is found to be in agreement with the XY chiral scenario for a TLA. Chiral scattering above TN is very weak, probably being masked by zero-point quantum fluctuations. A modulation of the crystal structure with the periodicity of the helix is observed, indicating strong coupling of the Dzyaloshinskii-Moriya interaction with the lattice.

Coherent spin dynamics of carriers in ferromagnetic semiconductor heterostructures with an Mn δ layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaitsev, S. V., E-mail: szaitsev@issp.ac.ru; Akimov, I. A.; Langer, L.

2016-09-15

The coherent spin dynamics of carriers in the heterostructures that contain an InGaAs/GaAs quantum well (QW) and an Mn δ layer, which are separated by a narrow GaAs spacer 2–10 nm thick, is comprehensively studied by the magnetooptical Kerr effect method at a picosecond time resolution. The exchange interaction of photoexcited electrons in QW with the ferromagnetic Mn δ layer manifests itself in magnetic-field and temperature dependences of the Larmor precession frequency of electron spins and is found to be very weak (several microelectron volts). Two nonoscillating components related to holes exist apart from an electron contribution to the Kerrmore » signal of polarization plane rotation. At the initial stage, a fast relaxation process, which corresponds to the spin relaxation of free photoexcited holes, is detected in the structures with a wide spacer. The second component is caused by the further spin dephasing of energyrelaxed holes, which are localized at strong QW potential fluctuations in the structures under study. The decay of all contributions to the Kerr signal in time increases substantially when the spacer thickness decreases, which correlates with the enhancement of nonradiative recombination in QW.« less

Second-scale nuclear spin coherence time of ultracold 23Na40K molecules.

PubMed

Park, Jee Woo; Yan, Zoe Z; Loh, Huanqian; Will, Sebastian A; Zwierlein, Martin W

2017-07-28

Coherence, the stability of the relative phase between quantum states, is central to quantum mechanics and its applications. For ultracold dipolar molecules at sub-microkelvin temperatures, internal states with robust coherence are predicted to offer rich prospects for quantum many-body physics and quantum information processing. We report the observation of stable coherence between nuclear spin states of ultracold fermionic sodium-potassium (NaK) molecules in the singlet rovibrational ground state. Ramsey spectroscopy reveals coherence times on the scale of 1 second; this enables high-resolution spectroscopy of the molecular gas. Collisional shifts are shown to be absent down to the 100-millihertz level. This work opens the door to the use of molecules as a versatile quantum memory and for precision measurements on dipolar quantum matter. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Lorentz-symmetry test at Planck-scale suppression with nucleons in a spin-polarized 133Cs cold atom clock

NASA Astrophysics Data System (ADS)

Pihan-Le Bars, H.; Guerlin, C.; Lasseri, R.-D.; Ebran, J.-P.; Bailey, Q. G.; Bize, S.; Khan, E.; Wolf, P.

2017-04-01

We introduce an improved model that links the frequency shift of the 133Cs hyperfine Zeeman transitions |F =3 ,mF ⟩↔|F =4 ,mF ⟩ to the Lorentz-violating Standard Model extension (SME) coefficients of the proton and neutron. The new model uses Lorentz transformations developed to second order in boost and additionally takes the nuclear structure into account, beyond the simple Schmidt model used previously in Standard Model extension analyses, thereby providing access to both proton and neutron SME coefficients including the isotropic coefficient c˜T T. Using this new model in a second analysis of the data delivered by the FO2 dual Cs/Rb fountain at Paris Observatory and previously analyzed in [1], we improve by up to 13 orders of magnitude the present maximum sensitivities for laboratory tests [2] on the c˜Q, c˜T J, and c˜T T coefficients for the neutron and on the c˜Q coefficient for the proton, reaching respectively 10-20, 10-17, 10-13, and 10-15 GeV .

Magnetotransport in Artificial Kagome Spin Ice

NASA Astrophysics Data System (ADS)

Chern, Gia-Wei

2017-12-01

Magnetic nanoarrays with special geometries exhibit nontrivial collective behaviors similar to those observed in spin-ice materials. Here, we present a circuit model to describe the complex magnetotransport phenomena in artificial kagome spin ice. In this picture, the system can be viewed as a resistor network driven by voltage sources that are located at vertices of the honeycomb array. The differential voltages across different terminals of these sources are related to the ice rules that govern the local magnetization ordering. The circuit model relates the transverse Hall voltage of kagome ice to the underlying spin correlations. Treating the magnetic nanoarray as metamaterials, we present a mesoscopic constitutive equation relating the Hall resistance to magnetization components of the system. We further show that the Hall signal is significantly enhanced when the kagome ice undergoes a magnetic-charge-ordering transition. Our analysis can be readily generalized to other lattice geometries, providing a quantitative method for the design of magnetoresistance devices based on artificial spin ice.

Master equation and two heat reservoirs.

PubMed

Trimper, Steffen

2006-11-01

A simple spin-flip process is analyzed under the presence of two heat reservoirs. While one flip process is triggered by a bath at temperature T, the inverse process is activated by a bath at a different temperature T'. The situation can be described by using a master equation approach in a second quantized Hamiltonian formulation. The stationary solution leads to a generalized Fermi-Dirac distribution with an effective temperature Te. Likewise the relaxation time is given in terms of Te. Introducing a spin representation we perform a Landau expansion for the averaged spin as order parameter and consequently, a free energy functional can be derived. Owing to the two reservoirs the model is invariant with respect to a simultaneous change sigma<-->-sigma and T<-->T'. This symmetry generates a third order term in the free energy which gives rise a dynamically induced first order transition.

Effect of interacting second- and third-order stimulus-dependent correlations on population-coding asymmetries.

PubMed

Montangie, Lisandro; Montani, Fernando

2016-10-01

Spike correlations among neurons are widely encountered in the brain. Although models accounting for pairwise interactions have proved able to capture some of the most important features of population activity at the level of the retina, the evidence shows that pairwise neuronal correlation analysis does not resolve cooperative population dynamics by itself. By means of a series expansion for short time scales of the mutual information conveyed by a population of neurons, the information transmission can be broken down into firing rate and correlational components. In a proposed extension of this framework, we investigate the information components considering both second- and higher-order correlations. We show that the existence of a mixed stimulus-dependent correlation term defines a new scenario for the interplay between pairwise and higher-than-pairwise interactions in noise and signal correlations that would lead either to redundancy or synergy in the information-theoretic sense.

Spin dynamics near a putative antiferromagnetic quantum critical point in Cu-substituted BaFe 2 As 2 and its relation to high-temperature superconductivity

DOE PAGES

Kim, M. G.; Wang, M.; Tucker, G. S.; ...

2015-12-02

We present the results of elastic and inelastic neutron scattering measurements on nonsuperconducting Ba(Fe 0.957Cu 0.043) 2As 2, a composition close to a quantum critical point between antiferromagnetic (AFM) ordered and paramagnetic phases. By comparing these results with the spin fluctuations in the low-Cu composition as well as the parent compound BaFe 2As 2 and superconducting Ba(Fe 1–xNi x) 2As 2 compounds, we demonstrate that paramagnon-like spin fluctuations are evident in the antiferromagnetically ordered state of Ba(Fe 0.957Cu 0.043) 2As 2, which is distinct from the AFM-like spin fluctuations in the superconducting compounds. Our observations suggest that Cu substitution decouplesmore » the interaction between quasiparticles and the spin fluctuations. In addition, we show that the spin-spin correlation length ξ(T) increases rapidly as the temperature is lowered and find ω/T scaling behavior, the hallmark of quantum criticality, at an antiferromagnetic quantum critical point.« less

Linear Hyperfine Tuning of Donor Spins in Silicon Using Hydrostatic Strain

NASA Astrophysics Data System (ADS)

Mansir, J.; Conti, P.; Zeng, Z.; Pla, J. J.; Bertet, P.; Swift, M. W.; Van de Walle, C. G.; Thewalt, M. L. W.; Sklenard, B.; Niquet, Y. M.; Morton, J. J. L.

2018-04-01

We experimentally study the coupling of group V donor spins in silicon to mechanical strain, and measure strain-induced frequency shifts that are linear in strain, in contrast to the quadratic dependence predicted by the valley repopulation model (VRM), and therefore orders of magnitude greater than that predicted by the VRM for small strains |ɛ |<10-5. Through both tight-binding and first principles calculations we find that these shifts arise from a linear tuning of the donor hyperfine interaction term by the hydrostatic component of strain and achieve semiquantitative agreement with the experimental values. Our results provide a framework for making quantitative predictions of donor spins in silicon nanostructures, such as those being used to develop silicon-based quantum processors and memories. The strong spin-strain coupling we measure (up to 150 GHz per strain, for Bi donors in Si) offers a method for donor spin tuning—shifting Bi donor electron spins by over a linewidth with a hydrostatic strain of order 10-6—as well as opportunities for coupling to mechanical resonators.

Theory of the magnetic susceptibility including zero-point spin fluctuations of itinerant nearly ferromagnetic compounds

NASA Astrophysics Data System (ADS)

Konno, Rikio; Hatayama, Nobukuni; Takahashi, Yoshinori

2018-05-01

We have investigated the temperature dependence of the magnetic susceptibility of itinerant nearly ferromagnetic compounds based on the spin fluctuation theory. It is based on the conservation of the local spin amplitude that consists of both the thermal and the zero-point components. The linear dependence of the zero-point spin fluctuation amplitude on the inverse of magnetic susceptibility is usually assumed. The purpose of our present study is to include its higher order terms and to see their effects on the magnetic susceptibility. For the thermal amplitude, it shows T2-linear temperature dependence at low temperatures.

Antiferromagnetic resonance excited by oscillating electric currents

NASA Astrophysics Data System (ADS)

Sluka, Volker

2017-12-01

In antiferromagnetic materials the order parameter exhibits resonant modes at frequencies that can be in the terahertz range, making them interesting components for spintronic devices. Here, it is shown that antiferromagnetic resonance can be excited using the inverse spin-Hall effect in a system consisting of an antiferromagnetic insulator coupled to a normal-metal waveguide. The time-dependent interplay between spin torque, ac spin accumulation, and magnetic degrees of freedom is studied. It is found that the dynamics of the antiferromagnet affects the frequency-dependent conductivity of the normal metal. Further, a comparison is made between spin-current-induced and Oersted-field-induced excitation under the condition of constant power injection.

Spin-orbit torques and anisotropic magnetization damping in skyrmion crystals

NASA Astrophysics Data System (ADS)

Hals, Kjetil M. D.; Brataas, Arne

2014-02-01

The length scale of the magnetization gradients in chiral magnets is determined by the relativistic Dzyaloshinskii-Moriya interaction. Thus, even conventional spin-transfer torques are controlled by the relativistic spin-orbit coupling in these systems, and additional relativistic corrections to the current-induced torques and magnetization damping become important for a complete understanding of the current-driven magnetization dynamics. We theoretically study the effects of reactive and dissipative homogeneous spin-orbit torques and anisotropic damping on the current-driven skyrmion dynamics in cubic chiral magnets. Our results demonstrate that spin-orbit torques play a significant role in the current-induced skyrmion velocity. The dissipative spin-orbit torque generates a relativistic Magnus force on the skyrmions, whereas the reactive spin-orbit torque yields a correction to both the drift velocity along the current direction and the transverse velocity associated with the Magnus force. The spin-orbit torque corrections to the velocity scale linearly with the skyrmion size, which is inversely proportional to the spin-orbit coupling. Consequently, the reactive spin-orbit torque correction can be the same order of magnitude as the nonrelativistic contribution. More importantly, the dissipative spin-orbit torque can be the dominant force that causes a deflected motion of the skyrmions if the torque exhibits a linear or quadratic relationship with the spin-orbit coupling. In addition, we demonstrate that the skyrmion velocity is determined by anisotropic magnetization damping parameters governed by the skyrmion size.

Adaptive multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model

NASA Astrophysics Data System (ADS)

Navarro, Cristóbal A.; Huang, Wei; Deng, Youjin

2016-08-01

This work presents an adaptive multi-GPU Exchange Monte Carlo approach for the simulation of the 3D Random Field Ising Model (RFIM). The design is based on a two-level parallelization. The first level, spin-level parallelism, maps the parallel computation as optimal 3D thread-blocks that simulate blocks of spins in shared memory with minimal halo surface, assuming a constant block volume. The second level, replica-level parallelism, uses multi-GPU computation to handle the simulation of an ensemble of replicas. CUDA's concurrent kernel execution feature is used in order to fill the occupancy of each GPU with many replicas, providing a performance boost that is more notorious at the smallest values of L. In addition to the two-level parallel design, the work proposes an adaptive multi-GPU approach that dynamically builds a proper temperature set free of exchange bottlenecks. The strategy is based on mid-point insertions at the temperature gaps where the exchange rate is most compromised. The extra work generated by the insertions is balanced across the GPUs independently of where the mid-point insertions were performed. Performance results show that spin-level performance is approximately two orders of magnitude faster than a single-core CPU version and one order of magnitude faster than a parallel multi-core CPU version running on 16-cores. Multi-GPU performance is highly convenient under a weak scaling setting, reaching up to 99 % efficiency as long as the number of GPUs and L increase together. The combination of the adaptive approach with the parallel multi-GPU design has extended our possibilities of simulation to sizes of L = 32 , 64 for a workstation with two GPUs. Sizes beyond L = 64 can eventually be studied using larger multi-GPU systems.

Design and Analysis of A Spin-Stabilized Projectile Experimental Apparatus

NASA Astrophysics Data System (ADS)

Siegel, Noah; Rodebaugh, Gregory; Elkins, Christopher; van Poppel, Bret; Benson, Michael; Cremins, Michael; Lachance, Austin; Ortega, Raymond; Vanderyacht, Douglas

2017-11-01

Spinning objects experience an effect termed `The Magnus Moment' due to an uneven pressure distribution based on rotation within a crossflow. Unlike the Magnus force, which is often small for spin-stabilized projectiles, the Magnus moment can have a strong detrimental effect on aerodynamic flight stability. Simulations often fail to accurately predict the Magnus moment in the subsonic flight regime. In an effort to characterize the conditions that cause the Magnus moment, researchers in this work employed Magnetic Resonance Velocimetry (MRV) techniques to measure three dimensional, three component, sub-millimeter resolution fluid velocity fields around a scaled model of a spinning projectile in flight. The team designed, built, and tested using a novel water channel apparatus that was fully MRI-compliant - water-tight and non-ferrous - and capable of spinning a projectile at a constant rotational speed. A supporting numerical simulation effort informed the design process of the scaled projectile to thicken the hydrodynamic boundary layer near the outer surface of the projectile. Preliminary testing produced two-dimensional and three-dimensional velocity data and revealed an asymmetric boundary layer around the projectile, which is indicative of the Magnus effect.

Implementation of Magnetic Dipole Interaction in the Planewave-Basis Approach for Slab Systems

NASA Astrophysics Data System (ADS)

Oda, Tatsuki; Obata, Masao

2018-06-01

We implemented the magnetic dipole interaction (MDI) in a first-principles planewave-basis electronic structure calculation based on spin density functional theory. This implementation, employing the two-dimensional Ewald summation, enables us to obtain the total magnetic anisotropy energy of slab materials with contributions originating from both spin-orbit and magnetic dipole-dipole couplings on the same footing. The implementation was demonstrated using an iron square lattice. The result indicates that the magnetic anisotropy of the MDI is much less than that obtained from the atomic magnetic moment model due to the prolate quadrupole component of the spin magnetic moment density. We discuss the reduction in the anisotropy of the MDI in the case of modulation of the quadrupole component and the effect of magnetic field arising from the MDI on atomic scale.

Magnetic Ordering of Erbium and Uranium NICKEL(2) SILICON(2) by Neutron Scattering

NASA Astrophysics Data System (ADS)

Lin, Hong

The magnetic ordering has been studied in UNi _2Si_2 and erbium single crystals by elastic neutron scattering. Abundant results are given regarding the magnetic structure, magnetic phase transitions, and the effect of a magnetic field on these properties. Three ordered phases are observed in UNi _2Si_2. They have been determined to be an incommensurate longitudinal spin density wave with a magnetic wave vector around q = 0.74c ^* in the high temperature phase, a simple body-centred antiferromagnet in the intermediate temperature phase, and a square wave in the low temperature phase. This square wave can be viewed equivalently as a longitudinal spin density wave with q = 2/3c ^* superimposed on a ferromagnetic component. Hysteresis and sample dependence are observed in the low-temperature phase transition. The two lower temperature phase transitions are both first order. The transition to paramagnetism is second order with a critical exponent beta = 0.35 +/- 0.03. When a magnetic field is applied along the c axis, the intermediate temperature phase is destabilised and disappears above a field of 3.5T. Although there is no new phase induced by the field, there exists a reentrant point where the three ordered phases can coexist. Erbium has three distinct ordered phases: the cone phase at low temperatures, the c-axis modulated (CAM) phase at higher temperatures, and the intermediate phase with moments modulated both along c and perpendicular to c. Within these phases the modulation of the moments may lock in to the lattice. The observed weak harmonics of the wave vector q in the basal plane for the cone phase and the q = 1/4c^* structure in the intermediate phase can be explained by a basal-plane spin slip model. The effect of magnetic field along the c axis on the magnetic structure is to stabilise the cone phase and to destabilise the intermediate phase. A new lock-in structure with q = 1/4c^* in the cone phase is induced by fields above 1.8T. The presence of the field also stabilises the lock-in structure with q = 2/7c^* in both the intermediate and the CAM phases.

Ferromagnetism and spin glass ordering in transition metal alloys (invited)

NASA Astrophysics Data System (ADS)

Crane, S.; Carnegie, D. W., Jr.; Claus, H.

1982-03-01

Magnetic properties of transition metal alloys near the percolation threshold are often complicated by metallurgical effects. Alloys like AuFe, VFe, CuNi, RhNi, and PdNi are in general not random solid solutions but have various degrees of atomic clustering or short-range order (SRO), depending on the heat treatment. First, it is shown how the magnetic ordering temperature of these alloys varies with the degree of clustering or SRO. Second, by systematically changing this degree of clustering or SRO, important information can be obtained about the magnetic phase diagram. In all these alloys below the percolation limit, the onset of ferromagnetic order is probably preceded by a spin glass-type ordering. However, details of the magnetic phase diagram near the critical point can be quite different alloy systems.

Net Shape Spin Formed Cryogenic Aluminum Lithium Cryogenic Tank Domes for Lower Cost Higher Performance Launch Vehicles

NASA Technical Reports Server (NTRS)

Curreri, Peter A.; Hoffman, Eric; Domack, Marcia; Brewster, Jeb; Russell, Carolyn

2013-01-01

With the goal of lower cost (simplified manufacturing and lower part count) and higher performance (higher strength to weight alloys) the NASA Technical Maturation Program in 2006 funded a proposal to investigate spin forming of space launch vehicle cryogenic tank domes. The project funding continued under the NASA Exploration Technology Development Program through completion in FY12. The first phase of the project involved spin forming of eight, 1 meter diameter "path finder" domes. Half of these were processed using a concave spin form process (MT Aerospace, Augsburg Germany) and the other half using a convex process (Spincraft, Boston MA). The convex process has been used to produce the Ares Common Bulkhead and the concave process has been used to produce dome caps for the Space Shuttle light weight external tank and domes for the NASDA H2. Aluminum Lithium material was chosen because of its higher strength to weight ratio than the Aluminum 2219 baseline. Aluminum lithium, in order to obtain the desired temper (T8), requires a cold stretch after the solution heat treatment and quench. This requirement favors the concave spin form process which was selected for scale up. This paper describes the results of processing four, 5.5 meter diameter (upper stage scale) net shaped spin formed Aluminum Lithium domes. In order to allow scalability beyond the limits of foundry and rolling mills (about 12 foot width) the circular blank contained one friction stir weld (heavy lifter scales require a flat blank containing two welds). Mechanical properties data (tensile, fracture toughness, stress corrosion, and simulated service testing) for the parent metal and weld will also be discussed.

Influence of uniaxial single-ion anisotropy on the magnetic and thermal properties of Heisenberg antiferromagnets within unified molecular field theory

DOE PAGES

Johnston, David C.

2017-03-17

Here, the influence of uniaxial single-ion anisotropy –DS 2 z on the magnetic and thermal properties of Heisenberg antiferromagnets (AFMs) is investigated. The uniaxial anisotropy is treated exactly and the Heisenberg interactions are treated within unified molecular field theory (MFT), where thermodynamic variables are expressed in terms of directly measurable parameters. The properties of collinear AFMs with ordering along the z axis (D>0) in applied field H z = 0 are calculated versus D and temperature T, including the ordered moment μ, the Néel temperature T N, the magnetic entropy, internal energy, heat capacity, and the anisotropic magnetic susceptibilities χmore » ∥ and χ ⊥ in the paramagnetic (PM) and AFM states. The high-field average magnetization per spin μ z(H z,D,T) is found, and the critical field H c(D,T) is derived at which the second-order AFM to PM phase transition occurs. The magnetic properties of the spin-flop (SF) phase are calculated, including the zero-field properties T N(D) and μ(D,T). The high-field μ z(H z,D,T) is determined, together with the associated spin-flop field H SF(D,T) at which a second-order SF to PM phase transition occurs. The free energies of the AFM, SF, and PM phases are derived from which H z–T phase diagrams are constructed. For f J =–1 and –0.75, where f J = θ pJ/T NJ and θ pJ and T NJ are the Weiss temperature in the Curie-Weiss law and the Néel temperature due to exchange interactions alone, respectively, phase diagrams in the H z–T plane similar to previous results are obtained. However, for f J = 0 we find a topologically different phase diagram where a spin-flop bubble with PM and AFM boundaries occurs at finite H z and T. Also calculated are properties arising from a perpendicular magnetic field, including the perpendicular susceptibility χ ⊥(D,T), the associated effective torque at low fields arising from the –DS 2 z term in the Hamiltonian, the high-field perpendicular magnetization μ ⊥, and the perpendicular critical field H c⊥ at which the second-order AFM to PM phase transition occurs. In addition to the above results for D > 0, the T N(D) and ordered moment μ(T,D) for collinear AFM ordering along the x axis with D < 0 are determined. In order to compare the properties of the above spin systems with those of noninteracting systems with –DS 2 z uniaxial anisotropy with either sign of D, Supplemental Material is provided in which results for the thermal and magnetic properties of such noninteracting spin systems are given.« less

Phases of higher spin black holes: Hawking-Page, transitions between black holes, and a critical point

NASA Astrophysics Data System (ADS)

Bañados, Máximo; Düring, Gustavo; Faraggi, Alberto; Reyes, Ignacio A.

2017-08-01

We study the thermodynamic phase diagram of three-dimensional s l (N ;R ) higher spin black holes. By analyzing the semiclassical partition function we uncover a rich structure that includes Hawking-Page transitions to the AdS3 vacuum, first order phase transitions among black hole states, and a second order critical point. Our analysis is explicit for N =4 but we extrapolate some of our conclusions to arbitrary N . In particular, we argue that even N is stable in the ensemble under consideration but odd N is not.

Bifurcation analysis and phase diagram of a spin-string model with buckled states.

PubMed

Ruiz-Garcia, M; Bonilla, L L; Prados, A

2017-12-01

We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

Bifurcation analysis and phase diagram of a spin-string model with buckled states

NASA Astrophysics Data System (ADS)

Ruiz-Garcia, M.; Bonilla, L. L.; Prados, A.

2017-12-01

We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

Engineering frequency-dependent superfluidity in Bose-Fermi mixtures

NASA Astrophysics Data System (ADS)

Arzamasovs, Maksims; Liu, Bo

2018-04-01

Unconventional superconductivity and superfluidity are among the most exciting and fascinating quantum phenomena in condensed-matter physics. Usually such states are characterized by nontrivial spin or spatial symmetry of the pairing order parameter, such as "spin triplet" or "p wave." However, besides spin and spatial dependence the order parameter may have unconventional frequency dependence which is also permitted by Fermi-Dirac statistics. Odd-frequency fermionic pairing is an exciting paradigm when discussing exotic superfluidity or superconductivity and is yet to be realized in experiments. In this paper we propose a symmetry-based method of controlling frequency dependence of the pairing order parameter via manipulating the inversion symmetry of the system. First, a toy model is introduced to illustrate that frequency dependence of the order parameter can be achieved through our proposed approach. Second, by taking advantage of recent rapid developments in producing spin-orbit-coupled dispersions in ultracold gases, we propose a Bose-Fermi mixture to realize such frequency-dependent superfluid. The key idea is introducing the frequency-dependent attraction between fermions mediated by Bogoliubov phonons with asymmetric dispersion. Our proposal should pave an alternative way for exploring frequency-dependent superfluids with cold atoms.

Fast Single-Shot Hold Spin Readout in Double Quantum Dots

NASA Astrophysics Data System (ADS)

Bogan, Alexander; Studenikin, Sergei; Korkusinski, Marek; Aers, Geof; Gaudreau, Louis; Zawadzki, Piotr; Sachrajda, Andy; Tracy, Lisa; Reno, John; Hargett, Terry

Solid state spin qubits in quantum dots hold promise as scalable, high-density qubits in quantum information processing architectures. While much of the experimental investigation of these devices and their physics has focused on confined electron spins, hole spins in III-V semiconductors are attractive alternatives to electrons due to the reduced hyperfine coupling between the spin and the incoherent nuclear environment. In this talk, we will discuss a measurement protocol of the hole spin relaxation time T1 in a gated lateral GaAs double quantum dot tuned to the one and two-hole regimes, as well as a new technique for single-shot projective measurement of a single spin in tens of nanoseconds or less. The technique makes use of fast non-spin-conserving inter-dot transitions permitted by strong spin-orbit interactions for holes, as well as the latching of the charge state of the second quantum dot for enhanced sensitivity. This technique allows a direct measurement of the single spin relaxation time on time-scales set by physical device rather than by limitations of the measurement circuit.

Higher spin Chern-Simons theory and the super Boussinesq hierarchy

NASA Astrophysics Data System (ADS)

Gutperle, Michael; Li, Yi

2018-05-01

In this paper, we construct a map between a solution of supersymmetric Chern-Simons higher spin gravity based on the superalgebra sl(3|2) with Lifshitz scaling and the N = 2 super Boussinesq hierarchy. We show that under this map the time evolution equations of both theories coincide. In addition, we identify the Poisson structure of the Chern-Simons theory induced by gauge transformation with the second Hamiltonian structure of the super Boussinesq hierarchy.

Rectifying full-counting statistics in a spin Seebeck engine

NASA Astrophysics Data System (ADS)

Tang, Gaomin; Chen, Xiaobin; Ren, Jie; Wang, Jian

2018-02-01

In terms of the nonequilibrium Green's function framework, we formulate the full-counting statistics of conjugate thermal spin transport in a spin Seebeck engine, which is made by a metal-ferromagnet insulator interface driven by a temperature bias. We obtain general expressions of scaled cumulant generating functions of both heat and spin currents that hold special fluctuation symmetry relations, and demonstrate intriguing properties, such as rectification and negative differential effects of high-order fluctuations of thermal excited spin current, maximum output spin power, and efficiency. The transport and noise depend on the strongly fluctuating electron density of states at the interface. The results are relevant for designing an efficient spin Seebeck engine and can broaden our view in nonequilibrium thermodynamics and the nonlinear phenomenon in quantum transport systems.

The absence of intraband scattering in a consistent theory of Gilbert damping in pure metallic ferromagnets.

PubMed

Edwards, D M

2016-03-02

Damping of magnetization dynamics in a ferromagnetic metal, arising from spin-orbit coupling, is usually characterised by the Gilbert parameter α. Recent calculations of this quantity, using a formula due to Kambersky, find that it is infinite for a perfect crystal owing to an intraband scattering term which is of third order in the spin-orbit parameter ξ. This surprising result conflicts with recent work by Costa and Muniz who study damping numerically by direct calculation of the dynamical transverse susceptibility in the presence of spin-orbit coupling. We resolve this inconsistency by following the approach of Costa and Muniz for a slightly simplified model where it is possible to calculate α analytically. We show that to second order in ξ one retrieves the Kambersky result for α, but to higher order one does not obtain any divergent intraband terms. The present work goes beyond that of Costa and Muniz by pointing out the necessity of including the effect of long-range Coulomb interaction in calculating damping for large ξ. A direct derivation of the Kambersky formula is given which shows clearly the restriction of its validity to second order in ξ so that no intraband scattering terms appear. This restriction has an important effect on the damping over a substantial range of impurity content and temperature. The experimental situation is discussed.

Theoretical study of homonuclear J coupling between quadrupolar spins: single-crystal, DOR, and J-resolved NMR.

PubMed

Perras, Frédéric A; Bryce, David L

2014-05-01

The theory describing homonuclear indirect nuclear spin-spin coupling (J) interactions between pairs of quadrupolar nuclei is outlined and supported by numerical calculations. The expected first-order multiplets for pairs of magnetically equivalent (A2), chemically equivalent (AA'), and non-equivalent (AX) quadrupolar nuclei are given. The various spectral changeovers from one first-order multiplet to another are investigated with numerical simulations using the SIMPSON program and the various thresholds defining each situation are given. The effects of chemical equivalence, as well as quadrupolar coupling, chemical shift differences, and dipolar coupling on double-rotation (DOR) and J-resolved NMR experiments for measuring homonuclear J coupling constants are investigated. The simulated J coupling multiplets under DOR conditions largely resemble the ideal multiplets predicted for single crystals, and a characteristic multiplet is expected for each of the A2, AA', and AX cases. The simulations demonstrate that it should be straightforward to distinguish between magnetic inequivalence and equivalence using J-resolved NMR, as was speculated previously. Additionally, it is shown that the second-order quadrupolar-dipolar cross-term does not affect the splittings in J-resolved experiments. Overall, the homonuclear J-resolved experiment for half-integer quadrupolar nuclei is demonstrated to be robust with respect to the effects of first- and second-order quadrupolar coupling, dipolar coupling, and chemical shift differences. Copyright © 2014 Elsevier Inc. All rights reserved.

Automatic small bowel tumor diagnosis by using multi-scale wavelet-based analysis in wireless capsule endoscopy images.

PubMed

Barbosa, Daniel C; Roupar, Dalila B; Ramos, Jaime C; Tavares, Adriano C; Lima, Carlos S

2012-01-11

Wireless capsule endoscopy has been introduced as an innovative, non-invasive diagnostic technique for evaluation of the gastrointestinal tract, reaching places where conventional endoscopy is unable to. However, the output of this technique is an 8 hours video, whose analysis by the expert physician is very time consuming. Thus, a computer assisted diagnosis tool to help the physicians to evaluate CE exams faster and more accurately is an important technical challenge and an excellent economical opportunity. The set of features proposed in this paper to code textural information is based on statistical modeling of second order textural measures extracted from co-occurrence matrices. To cope with both joint and marginal non-Gaussianity of second order textural measures, higher order moments are used. These statistical moments are taken from the two-dimensional color-scale feature space, where two different scales are considered. Second and higher order moments of textural measures are computed from the co-occurrence matrices computed from images synthesized by the inverse wavelet transform of the wavelet transform containing only the selected scales for the three color channels. The dimensionality of the data is reduced by using Principal Component Analysis. The proposed textural features are then used as the input of a classifier based on artificial neural networks. Classification performances of 93.1% specificity and 93.9% sensitivity are achieved on real data. These promising results open the path towards a deeper study regarding the applicability of this algorithm in computer aided diagnosis systems to assist physicians in their clinical practice.

Coupled ferroelectric polarization and magnetization in spinel FeCr2S4

PubMed Central

Lin, L.; Zhu, H. X.; Jiang, X. M.; Wang, K. F.; Dong, S.; Yan, Z. B.; Yang, Z. R.; Wan, J. G.; Liu, J.-M.

2014-01-01

One of the core issues for multiferroicity is the strongly coupled ferroelectric polarization and magnetization, while so far most multiferroics have antiferromagnetic order with nearly zero magnetization. Magnetic spinel compounds with ferrimagnetic order may be alternative candidates offering large magnetization when ferroelectricity can be activated simultaneously. In this work, we investigate the ferroelectricity and magnetism of spinel FeCr2S4 in which the Fe2+ sublattice and Cr3+ sublattice are coupled in antiparallel alignment. Well defined ferroelectric transitions below the Fe2+ orbital ordering termperature Too = 8.5 K are demonstrated. The ferroelectric polarization has two components. One component arises mainly from the noncollinear conical spin order associated with the spin-orbit coupling, which is thus magnetic field sensitive. The other is probably attributed to the Jahn-Teller distortion induced lattice symmetry breaking, occuring below the orbital ordering of Fe2+. Furthermore, the coupled ferroelectric polarization and magnetization in response to magnetic field are observed. The present work suggests that spinel FeCr2S4 is a multiferroic offering both ferroelectricity and ferrimagnetism with large net magnetization. PMID:25284432

Practical recipes for the model order reduction, dynamical simulation and compressive sampling of large-scale open quantum systems

NASA Astrophysics Data System (ADS)

Sidles, John A.; Garbini, Joseph L.; Harrell, Lee E.; Hero, Alfred O.; Jacky, Jonathan P.; Malcomb, Joseph R.; Norman, Anthony G.; Williamson, Austin M.

2009-06-01

Practical recipes are presented for simulating high-temperature and nonequilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass macroscopic test masses as the limiting case of large-j spins. The simulation technique has three stages: first the deliberate introduction of noise into the simulation, then the conversion of that noise into an equivalent continuous measurement and control process, and finally, projection of the trajectory onto state-space manifolds having reduced dimensionality and possessing a Kähler potential of multilinear algebraic form. These state-spaces can be regarded as ruled algebraic varieties upon which a projective quantum model order reduction (MOR) is performed. The Riemannian sectional curvature of ruled Kählerian varieties is analyzed, and proved to be non-positive upon all sections that contain a rule. These manifolds are shown to contain Slater determinants as a special case and their identity with Grassmannian varieties is demonstrated. The resulting simulation formalism is used to construct a positive P-representation for the thermal density matrix. Single-spin detection by magnetic resonance force microscopy (MRFM) is simulated, and the data statistics are shown to be those of a random telegraph signal with additive white noise. Larger-scale spin-dust models are simulated, having no spatial symmetry and no spatial ordering; the high-fidelity projection of numerically computed quantum trajectories onto low dimensionality Kähler state-space manifolds is demonstrated. The reconstruction of quantum trajectories from sparse random projections is demonstrated, the onset of Donoho-Stodden breakdown at the Candès-Tao sparsity limit is observed, a deterministic construction for sampling matrices is given and methods for quantum state optimization by Dantzig selection are given.

Organic-inorganic hybrid materials as semiconducting channels in thin-film field-effect transistors

PubMed

Kagan; Mitzi; Dimitrakopoulos

1999-10-29

Organic-inorganic hybrid materials promise both the superior carrier mobility of inorganic semiconductors and the processability of organic materials. A thin-film field-effect transistor having an organic-inorganic hybrid material as the semiconducting channel was demonstrated. Hybrids based on the perovskite structure crystallize from solution to form oriented molecular-scale composites of alternating organic and inorganic sheets. Spin-coated thin films of the semiconducting perovskite (C(6)H(5)C(2)H(4)NH(3))(2)SnI(4) form the conducting channel, with field-effect mobilities of 0.6 square centimeters per volt-second and current modulation greater than 10(4). Molecular engineering of the organic and inorganic components of the hybrids is expected to further improve device performance for low-cost thin-film transistors.

A second metastable spin-ordered state on ferrimagnetic single crystal Cu2 OSeO 3

NASA Astrophysics Data System (ADS)

Chou, Chih Chieh; Huang, C. L.; Tseng, K. F.; Mukherjee, S.; Her, J. L.; Matsuda, Y. H.; Kindo, K.; Berger, H.; Yang, H. D.

2011-03-01

DC and AC susceptibilities were executed on ferrimagnetic single crystal Cu 2 OSe O3 under magnetic field (H) and hydrostatic pressure (P) circumstance. With increasing H , the ferrimagnetic transition at TC ~ 60 K tends to a higher temperature. Furthermore, the TC rises with a linear slope and magnetization is enhanced with increasing P . Features of the ladder shown in the M vs. H curve or the peak observed in the d M / d H vs. H curve are noted at HSF ~ 0.5 kOe, exhibiting a competing ordered state in magnetic fields below TC . Remarkably, another shoulder is observed at ~ 1 kOe in the d M / d H vs. H curve, revealing a metastable spin ordered state in Cu 2 OSe O3 . In addition, the novel state is retained and enhanced by applied pressure. However, at H up to 55 T, there is no more observable slop change in magnetization. These magnetic properties suggest a complex spin orientation in the spin-frustrated system Cu 2 OSe O3 .

Access to long-term optical memories using photon echoes retrieved from electron spins in semiconductor quantum wells

NASA Astrophysics Data System (ADS)

Poltavtsev, S. V.; Langer, L.; Yugova, I. A.; Salewski, M.; Kapitonov, Y. V.; Yakovlev, D. R.; Karczewski, G.; Wojtowicz, T.; Akimov, I. A.; Bayer, M.

2016-10-01

We use spontaneous (two-pulse) and stimulated (three-pulse) photon echoes for studying the coherent evolution of optically excited ensemble of trions which are localized in semiconductor CdTe/CdMgTe quantum well. Application of transverse magnetic field leads to the Larmor precession of the resident electron spins, which shuffles optically induced polarization between optically accessible and inaccessible states. This results in several spectacular phenomena. First, magnetic field induces oscillations of spontaneous photon echo amplitude. Second, in three-pulse excitation scheme, the photon echo decay is extended by several orders of magnitude. In this study, short-lived optical excitation which is created by the first pulse is coherently transferred into a long-lived electron spin state using the second optical pulse. This coherent spin state of electron ensemble persists much longer than any optical excitation in the system, preserving information on initial optical field, which can be retrieved as a photon echo by means of third optical pulse.

Avoided ferromagnetic quantum critical point: unusual short-range ordered state in CeFePO.

PubMed

Lausberg, S; Spehling, J; Steppke, A; Jesche, A; Luetkens, H; Amato, A; Baines, C; Krellner, C; Brando, M; Geibel, C; Klauss, H-H; Steglich, F

2012-11-21

Cerium 4f electronic spin dynamics in single crystals of the heavy-fermion system CeFePO is studied by means of ac susceptibility, specific heat, and muon-spin relaxation (μSR). Short-range static magnetism occurs below the freezing temperature T(g) ≈ 0.7 K, which prevents the system from accessing a putative ferromagnetic quantum critical point. In the μSR, the sample-averaged muon asymmetry function is dominated by strongly inhomogeneous spin fluctuations below 10 K and exhibits a characteristic time-field scaling relation expected from glassy spin dynamics, strongly evidencing cooperative and critical spin fluctuations. The overall behavior can be ascribed neither to canonical spin glasses nor other disorder-driven mechanisms.

The spin-temperature theory of dynamic nuclear polarization and nuclear spin-lattice relaxation

NASA Technical Reports Server (NTRS)

Byvik, C. E.; Wollan, D. S.

1974-01-01

A detailed derivation of the equations governing dynamic nuclear polarization (DNP) and nuclear spin lattice relaxation by use of the spin temperature theory has been carried to second order in a perturbation expansion of the density matrix. Nuclear spin diffusion in the rapid diffusion limit and the effects of the coupling of the electron dipole-dipole reservoir (EDDR) with the nuclear spins are incorporated. The complete expression for the dynamic nuclear polarization has been derived and then examined in detail for the limit of well resolved solid effect transitions. Exactly at the solid effect transition peaks, the conventional solid-effect DNP results are obtained, but with EDDR effects on the nuclear relaxation and DNP leakage factor included. Explicit EDDR contributions to DNP are discussed, and a new DNP effect is predicted.

Simulations of non-relativistic quantum chromodynamics at strong and weak coupling

NASA Astrophysics Data System (ADS)

Shakespeare, Norman Harold

In this thesis heavy quarks are investigated using lattice nonrelativistic quantum chromodynamics (NRQCD). Two major research works are presented. In the first major work, simulations are done for the three quarkonium systems cc¯, bc¯, and bb¯. The hyperfine splittings are computed at both leading and next-to-leading order in the relativistic expansion, using a large number of lattice spacings. A detailed comparison between mean-link and average plaquette tadpole renormalization schemes is undertaken with a number of features favouring the use of mean-links. These include much better scaling behavior of the hyperfine splittings and smaller relativistic corrections to the spin splittings. Signs of a breakdown in the NRQCD expansion are seen when the bare quark mass, in lattice units, falls below about one. In the second work, coefficients for the perturbative expansion of the static quark self energy are extracted from Monte Carlo simulations in the perturbative region of lattice quantum chromodynamics (QCD). A very large systematic study resulted in a major extension of existing methods. Twisted boundary conditions are used to eliminate the effects of zero modes and to suppress tunneling between the degenerate Z3 vacua. The Monte Carlo results are in excellent agreement with analytic perturbation theory, which is known through second order. New results for the third order coefficient are reported. Preliminary work is reported on quark propagators which will be used to measure second order mass renormalizations for NRQCD fermions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Weizhou, E-mail: wzw@lynu.edu.cn, E-mail: ybw@gzu.edu.cn; Zhang, Yu; Sun, Tao

High-level coupled cluster singles, doubles, and perturbative triples [CCSD(T)] computations with up to the aug-cc-pVQZ basis set (1924 basis functions) and various extrapolations toward the complete basis set (CBS) limit are presented for the sandwich, T-shaped, and parallel-displaced benzene⋯naphthalene complex. Using the CCSD(T)/CBS interaction energies as a benchmark, the performance of some newly developed wave function and density functional theory methods has been evaluated. The best performing methods were found to be the dispersion-corrected PBE0 functional (PBE0-D3) and spin-component scaled zeroth-order symmetry-adapted perturbation theory (SCS-SAPT0). The success of SCS-SAPT0 is very encouraging because it provides one method for energy componentmore » analysis of π-stacked complexes with 200 atoms or more. Most newly developed methods do, however, overestimate the interaction energies. The results of energy component analysis show that interaction energies are overestimated mainly due to the overestimation of dispersion energy.« less

A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs

NASA Astrophysics Data System (ADS)

Wesenberg, Devin

Understanding of fundamental physics of transport properties in thin film nanostructures is crucial for application in spintronic, spin caloritronics and thermoelectric applications. Much of the difficulty in the understanding stems from the measurement itself. In this dissertation I present our thermal isolation platform that is primarily used for detection of thermally induced effects in a wide variety of materials. We can accurately and precisely produce in-plane thermal gradients in these membranes, allowing for thin film measurements on 2-D structures. First, we look at thermoelectric enhancements of doped semiconducting single-walled carbon nanotube thin films. We use the Wiedemann-Franz law to calculate contributions to thermal conductivity and find interesting underlying physics as we dope the films, thus changing the Fermi level. Adapting the tube diameter leads to structural differences, which greatly affects both phonon and electron contributions to thermal conductivity. These unique films can be designed as thermoelectric materials that are easy to manufacture and can be utilized in a variety of situations. Second, we look at work measuring enhanced contributions to thermopower and thermal conductivity of unique ferromagnetic metals. We observe improved thermopower due to the ultra-low damping of the magnon system. For spintronic and spin caloritronic applications, having a low damping is important for device engineering and allows for long spin lifetimes. Third, we present on spin transport through disordered magnetic insulators. We observe spin Hall effect driven magnon transport through materials with no long-range order but with local antiferromagnetic exchange interactions. We are the first to observe this type of transport, which may lead spintronic investigations in a new and profound direction. Finally, we look at transverse effects in a thin ferromagnetic metal. Our observation of the planer Nernst effect and planar Hall effect across long length scales shows that effects in this range are dominated by traditional magneto-thermoelectric effects without any evidence of spin transport. A careful understanding of thermal and electric gradients is needed to aid in understanding of transport properties of thin films.

Coherent Dynamics of a Hybrid Quantum Spin-Mechanical Oscillator System

NASA Astrophysics Data System (ADS)

Lee, Kenneth William, III

A fully functional quantum computer must contain at least two important components: a quantum memory for storing and manipulating quantum information and a quantum data bus to securely transfer information between quantum memories. Typically, a quantum memory is composed of a matter system, such as an atom or an electron spin, due to their prolonged quantum coherence. Alternatively, a quantum data bus is typically composed of some propagating degree of freedom, such as a photon, which can retain quantum information over long distances. Therefore, a quantum computer will likely be a hybrid quantum device, consisting of two or more disparate quantum systems. However, there must be a reliable and controllable quantum interface between the memory and bus in order to faithfully interconvert quantum information. The current engineering challenge for quantum computers is scaling the device to large numbers of controllable quantum systems, which will ultimately depend on the choice of the quantum elements and interfaces utilized in the device. In this thesis, we present and characterize a hybrid quantum device comprised of single nitrogen-vacancy (NV) centers embedded in a high quality factor diamond mechanical oscillator. The electron spin of the NV center is a leading candidate for the realization of a quantum memory due to its exceptional quantum coherence times. On the other hand, mechanical oscillators are highly sensitive to a wide variety of external forces, and have the potential to serve as a long-range quantum bus between quantum systems of disparate energy scales. These two elements are interfaced through crystal strain generated by vibrations of the mechanical oscillator. Importantly, a strain interface allows for a scalable architecture, and furthermore, opens the door to integration into a larger quantum network through coupling to an optical interface. There are a few important engineering challenges associated with this device. First, there have been no previous demonstrations of a strain-mediated spin-mechanical interface and hence the system is largely uncharacterized. Second, fabricating high quality diamond mechanical oscillators is difficult due to the robust and chemically inert nature of diamond. Finally, engineering highly coherent NV centers with a coherent optical interface in nanostructured diamond remains an outstanding challenge. In this thesis, we theoretically and experimentally address each of these challenges, and show that with future improvements, this device is suitable for future quantum-enabled applications. First, we theoretically and experimentally demonstrate a dynamic, strain-mediated coupling between the spin and orbital degrees of freedom of the NV center and the driven mechanical motion of a single-crystal diamond cantilever. We employ Ramsey interferometry to demonstrate coherent, mechanical driving of the NV spin evolution. Using this interferometry technique, we present the first demonstration of nanoscale strain imaging, and quantitatively characterize the previously unknown spin-strain coupling constants. Next, we use the driven motion of the cantilever to perform deterministic control of the frequency and polarization dependence of the optical transitions of the NV center. Importantly, this experiment constitutes the first demonstration of on-chip control of both the frequency and polarization state of a single photon produced by a quantum emitter. In the final experiment, we use mechanical driving to engineer a series of spin ``clock" states and demonstrate a significant increase in the spin coherence time of the NV center. We conclude this thesis with a theoretical discussion of prospective applications for this device, including generation of non-classical mechanical states and spin-spin entanglement, as well as an evaluation of the current limitations of our devices, including a possible avenues for improvement to reach the regime of strong spin-phonon coupling.

Tracking spin-axis orbital alignment in selected binary systems: the Torun Rossiter-McLaughlin effect survey

NASA Astrophysics Data System (ADS)

Sybilski, P.; Pawłaszek, R. K.; Sybilska, A.; Konacki, M.; Hełminiak, K. G.; Kozłowski, S. K.; Ratajczak, M.

2018-07-01

We have obtained high-resolution spectra of four eclipsing binary systems (FM Leo, NN Del, V963 Cen and AI Phe) with the view to gaining an insight into the relative orientations of their stellar spin axes and orbital axes. The so-called Rossiter-McLaughlin (RM) effect, i.e. the fact that the broadening and the amount of blue or redshift in the spectra during an eclipse depends on the tilt of the spin axis of the background star, has the potential of reconciling observations and theoretical models if such a tilt is found. We analyse the RM effect by disentangling the spectra, removing the front component and measuring the remaining, distorted lines with a broadening function (BF) obtained from single-value decomposition (SVD), weighting by the intensity centre of the BF in the eclipse. All but one of our objects show no significant misalignment, suggesting that aligned systems are dominant. We provide stellar as well as orbital parameters for our systems. With five measured spin-orbit angles, we increase significantly (from 9 to 14) the number of stars for which it has been measured. The spin-orbit angle β calculated for AI Phe's secondary component shows a misalignment of 87±17°. NN Del, with a large separation of components and a long dynamical time-scale for circularization and synchronization, is an example of a close to primordial spin-orbit angle measurement.

Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides.

PubMed

Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye B; Ruud, Kenneth

2015-08-11

We present an implementation of the nuclear spin-rotation (SR) constants based on the relativistic four-component Dirac-Coulomb Hamiltonian. This formalism has been implemented in the framework of the Hartree-Fock and Kohn-Sham theory, allowing assessment of both pure and hybrid exchange-correlation functionals. In the density-functional theory (DFT) implementation of the response equations, a noncollinear generalized gradient approximation (GGA) has been used. The present approach enforces a restricted kinetic balance condition for the small-component basis at the integral level, leading to very efficient calculations of the property. We apply the methodology to study relativistic effects on the spin-rotation constants by performing calculations on XHn (n = 1-4) for all elements X in the p-block of the periodic table and comparing the effects of relativity on the nuclear SR tensors to that observed for the nuclear magnetic shielding tensors. Correlation effects as described by the density-functional theory are shown to be significant for the spin-rotation constants, whereas the differences between the use of GGA and hybrid density functionals are much smaller. Our calculated relativistic spin-rotation constants at the DFT level of theory are only in fair agreement with available experimental data. It is shown that the scaling of the relativistic effects for the spin-rotation constants (varying between Z(3.8) and Z(4.5)) is as strong as for the chemical shieldings but with a much smaller prefactor.

Frustrated spin-1/2 Ising antiferromagnet on a square lattice in a transverse field

NASA Astrophysics Data System (ADS)

Bobák, A.; Jurčišinová, E.; Jurčišin, M.; Žukovič, M.

2018-02-01

We investigate the phase transitions and tricritical behaviors of the frustrated Ising antiferromagnet with first- (J1<0 ) and second- (J2<0 ) nearest-neighbor interactions in a transverse field Ω on the square lattice using an effective-field theory with correlations based on a single-spin approximation. We have proposed a functional for the free energy to obtain the phase diagram in the T -R (R =J2/|J1| ) or T -Ω planes. It is shown that due to the transverse field the phase transition between ordered and disordered phases changes in the tricritical point (TCP) from the second order to the first order. The longitudinal and transverse magnetizations are also studied for selected values of R and Ω . In particular, the variation of TCP at the ground state in the three-dimensional space is constructed. For some special cases, values of the critical temperature and the critical transverse field have been determined analytically.

Psychometric evaluation of the Chinese version of the Patient Perceptions of Empowerment Scale (PPES).

PubMed

Yeh, Mei-Yu; Lin, Sieh-Hwa; Tung, Tao-Hsin

2014-01-01

To evaluate the psychometric properties of the Chinese version of the Patient Perceptions of Empowerment Scale (PPES) and to perform a cross-cultural validity assessment. In this cross-sectional survey, 554 inpatients in three general hospitals in northern Taiwan were recruited. Principal component analysis was used to examine the factor structure of the scale. Confirmatory factor analyses were conducted on the measurement model of the Chinese version of the PPES. Confirmatory factor analyses supported the presence of a second-order four-factor model (information, decision, individual, and self-management) of the Chinese version of the PPES when used with a Taiwanese inpatient population. The results indicate that the 11-item, second-order, four-factor Chinese version of the PPES provided best goodness-of-fit for the data in this study. The 11-item four-factor Chinese version of the PPES is a self-completion scale. This study demonstrated that the Chinese version of the PPES is a reliable and valid self-report instrument for the assessment of patient perceptions of empowerment in clinical practice. Further adaptation and evaluation of the scale will hopefully stimulate further studies on PPES in the fields of psychometrics in Taiwan.

Psychometric Evaluation of the Chinese Version of the Patient Perceptions of Empowerment Scale (PPES)

PubMed Central

Lin, Sieh-Hwa

2014-01-01

Objectives. To evaluate the psychometric properties of the Chinese version of the Patient Perceptions of Empowerment Scale (PPES) and to perform a cross-cultural validity assessment. Methods. In this cross-sectional survey, 554 inpatients in three general hospitals in northern Taiwan were recruited. Principal component analysis was used to examine the factor structure of the scale. Confirmatory factor analyses were conducted on the measurement model of the Chinese version of the PPES. Results. Confirmatory factor analyses supported the presence of a second-order four-factor model (information, decision, individual, and self-management) of the Chinese version of the PPES when used with a Taiwanese inpatient population. The results indicate that the 11-item, second-order, four-factor Chinese version of the PPES provided best goodness-of-fit for the data in this study. Conclusion. The 11-item four-factor Chinese version of the PPES is a self-completion scale. This study demonstrated that the Chinese version of the PPES is a reliable and valid self-report instrument for the assessment of patient perceptions of empowerment in clinical practice. Further adaptation and evaluation of the scale will hopefully stimulate further studies on PPES in the fields of psychometrics in Taiwan. PMID:24971354

Superluminal tunneling of a relativistic half-integer spin particle through a potential barrier

NASA Astrophysics Data System (ADS)

Nanni, Luca

2017-11-01

This paper investigates the problem of a relativistic Dirac half-integer spin free particle tunneling through a rectangular quantum-mechanical barrier. If the energy difference between the barrier and the particle is positive, and the barrier width is large enough, there is proof that the tunneling may be superluminal. For first spinor components of particle and antiparticle states, the tunneling is always superluminal regardless the barrier width. Conversely, the second spinor components of particle and antiparticle states may be either subluminal or superluminal depending on the barrier width. These results derive from studying the tunneling time in terms of phase time. For the first spinor components of particle and antiparticle states, it is always negative while for the second spinor components of particle and antiparticle states, it is always positive, whatever the height and width of the barrier. In total, the tunneling time always remains positive for particle states while it becomes negative for antiparticle ones. Furthermore, the phase time tends to zero, increasing the potential barrier both for particle and antiparticle states. This agrees with the interpretation of quantum tunneling that the Heisenberg uncertainty principle provides. This study's results are innovative with respect to those available in the literature. Moreover, they show that the superluminal behaviour of particles occurs in those processes with high-energy confinement.

Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory

NASA Astrophysics Data System (ADS)

Franzke, Yannick J.; Middendorf, Nils; Weigend, Florian

2018-03-01

We present an efficient algorithm for one- and two-component analytical energy gradients with respect to nuclear displacements in the exact two-component decoupling approach to the one-electron Dirac equation (X2C). Our approach is a generalization of the spin-free ansatz by Cheng and Gauss [J. Chem. Phys. 135, 084114 (2011)], where the perturbed one-electron Hamiltonian is calculated by solving a first-order response equation. Computational costs are drastically reduced by applying the diagonal local approximation to the unitary decoupling transformation (DLU) [D. Peng and M. Reiher, J. Chem. Phys. 136, 244108 (2012)] to the X2C Hamiltonian. The introduced error is found to be almost negligible as the mean absolute error of the optimized structures amounts to only 0.01 pm. Our implementation in TURBOMOLE is also available within the finite nucleus model based on a Gaussian charge distribution. For a X2C/DLU gradient calculation, computational effort scales cubically with the molecular size, while storage increases quadratically. The efficiency is demonstrated in calculations of large silver clusters and organometallic iridium complexes.

Magnetic structure and dispersion relation of the S = 1 2 quasi-one-dimensional Ising-like antiferromagnet BaCo 2 V 2 O 8 in a transverse magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuda, M.; Onishi, H.; Okutani, A.

Here, BaCo 2V 2O 8 consists of Co chains in which a Co 2+ ion carries a fictitious spin 1/2 with Ising anisotropy. We performed elastic and inelastic neutron scattering experiments in BaCo 2V 2O 8 in a magnetic field perpendicular to the c axis which is the chain direction. With applying magnetic field along the a axis at 3.5 K, the antiferromagnetic order with the easy axis along the c axis, observed in zero magnetic field, is completely suppressed at 8 T, while the magnetic field gradually induces an antiferromagnetic order with the spin component along the b axis.more » We also studied magnetic excitations as a function of transverse magnetic field. The lower boundary of the spinon excitations splits gradually with increasing magnetic field. The overall feature of the magnetic excitation spectra in the magnetic field is reproduced by the theoretical calculation based on the spin 1/2 XXZ antiferromagnetic chain model, which predicts that the dynamic magnetic structure factor of the spin component along the chain direction is enhanced and that along the field direction has clear incommensurate correlations.« less

Magnetic structure and dispersion relation of the S = 1 2 quasi-one-dimensional Ising-like antiferromagnet BaCo 2 V 2 O 8 in a transverse magnetic field

DOE PAGES

Matsuda, M.; Onishi, H.; Okutani, A.; ...

2017-07-25

Here, BaCo 2V 2O 8 consists of Co chains in which a Co 2+ ion carries a fictitious spin 1/2 with Ising anisotropy. We performed elastic and inelastic neutron scattering experiments in BaCo 2V 2O 8 in a magnetic field perpendicular to the c axis which is the chain direction. With applying magnetic field along the a axis at 3.5 K, the antiferromagnetic order with the easy axis along the c axis, observed in zero magnetic field, is completely suppressed at 8 T, while the magnetic field gradually induces an antiferromagnetic order with the spin component along the b axis.more » We also studied magnetic excitations as a function of transverse magnetic field. The lower boundary of the spinon excitations splits gradually with increasing magnetic field. The overall feature of the magnetic excitation spectra in the magnetic field is reproduced by the theoretical calculation based on the spin 1/2 XXZ antiferromagnetic chain model, which predicts that the dynamic magnetic structure factor of the spin component along the chain direction is enhanced and that along the field direction has clear incommensurate correlations.« less

Magnetic structure and dispersion relation of the S =1/2 quasi-one-dimensional Ising-like antiferromagnet BaCo2V2O8 in a transverse magnetic field

NASA Astrophysics Data System (ADS)

Matsuda, M.; Onishi, H.; Okutani, A.; Ma, J.; Agrawal, H.; Hong, T.; Pajerowski, D. M.; Copley, J. R. D.; Okunishi, K.; Mori, M.; Kimura, S.; Hagiwara, M.

2017-07-01

BaCo2V2O8 consists of Co chains in which a Co2 + ion carries a fictitious spin 1/2 with Ising anisotropy. We performed elastic and inelastic neutron scattering experiments in BaCo2V2O8 in a magnetic field perpendicular to the c axis which is the chain direction. With applying magnetic field along the a axis at 3.5 K, the antiferromagnetic order with the easy axis along the c axis, observed in zero magnetic field, is completely suppressed at 8 T, while the magnetic field gradually induces an antiferromagnetic order with the spin component along the b axis. We also studied magnetic excitations as a function of transverse magnetic field. The lower boundary of the spinon excitations splits gradually with increasing magnetic field. The overall feature of the magnetic excitation spectra in the magnetic field is reproduced by the theoretical calculation based on the spin 1/2 X X Z antiferromagnetic chain model, which predicts that the dynamic magnetic structure factor of the spin component along the chain direction is enhanced and that along the field direction has clear incommensurate correlations.

Spin-density fluctuations and the fluctuation-dissipation theorem in 3 d ferromagnetic metals

DOE PAGES

Wysocki, Alex L.; Valmispild, V. N.; Kutepov, A.; ...

2017-11-15

Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using themore » fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.« less

Spin-density fluctuations and the fluctuation-dissipation theorem in 3 d ferromagnetic metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wysocki, Alex L.; Valmispild, V. N.; Kutepov, A.

Spatial and time scales of spin-density fluctuations (SDFs) were analyzed in 3d ferromagnets using ab initio linear-response calculations of complete wave-vector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDFs are spread continuously over the entire Brillouin zone and while the majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin-wave contribution and a much larger high-energy component from more localized excitations. Furthermore, using themore » fluctuation-dissipation theorem, the on-site spin correlator and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed.« less

Satellite transitions acquired in real time by magic angle spinning (STARTMAS): ``Ultrafast'' high-resolution MAS NMR spectroscopy of spin I =3/2 nuclei

NASA Astrophysics Data System (ADS)

Thrippleton, Michael J.; Ball, Thomas J.; Wimperis, Stephen

2008-01-01

The satellite transitions acquired in real time by magic angle spinning (STARTMAS) NMR experiment combines a train of pulses with sample rotation at the magic angle to refocus the first- and second-order quadrupolar broadening of spin I =3/2 nuclei in a series of echoes, while allowing the isotropic chemical and quadrupolar shifts to evolve. The result is real-time isotropic NMR spectra at high spinning rates using conventional MAS equipment. In this paper we describe in detail how STARTMAS data can be acquired and processed with ease on commercial equipment. We also discuss the advantages and limitations of the approach and illustrate the discussion with numerical simulations and experimental data from four different powdered solids.

Chip-Scale Atomic Magnetometers

NASA Astrophysics Data System (ADS)

Knappe, Svenja

2010-03-01

Atomic magnetometers have reached sensitivities rivaling those of superconducting quantum interference devices (SQUIDs) in some frequency ranges [1]. A major advancement in atomic magnetometry was made possible by implementing interrogation schemes that suppress spin-exchange collisions between the alkali atoms [2]. Good signal-to-noise can be achieved by operation at very high alkali densities. At the same time, it introduces the challenge to create uniform spin-polarization and monitor the atomic precession about the magnetic field in atomic vapors with large optical densities. Off-resonant detection of the polarization rotation rather than the absorption is essential to operate in this regime. By use of microfabrication methods, we are miniaturizing such atomic magnetometers. They consist of miniature vapor cells with volumes of a few cubic millimeters integrated with micro-optical components. We present the advancement in sensitivities of such devices over nearly four orders of magnitude [3]. This allows for small low-power room-temperature devices with sensitivities that get close to those of SQUIDs in the frequency range around 100 Hz. We outline the current performance of chip-scale atomic magnetometers and the major challenges. Apart from efficient pumping and probing at high optical densities, these include magnetic noise caused by several sensor components and environmental factors, noise on the light fields, as well as magnetic fields from current-carrying parts, such as heaters, lasers, and photodetectors.[4pt] [1] Allred et al., Phys. Rev. Lett. 89, 130801 (2002) [0pt] [2] Happer and Tam, Phys. Rev. A 16, 1877 (1977) [0pt] [3] Griffith et al., Appl. Phys. Lett 94, 023502 (2009)

Localized waves in three-component coupled nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Xu, Tao; Chen, Yong

2016-09-01

We study the generalized Darboux transformation to the three-component coupled nonlinear Schrödinger equation. First- and second-order localized waves are obtained by this technique. In first-order localized wave, we get the interactional solutions between first-order rogue wave and one-dark, one-bright soliton respectively. Meanwhile, the interactional solutions between one-breather and first-order rogue wave are also given. In second-order localized wave, one-dark-one-bright soliton together with second-order rogue wave is presented in the first component, and two-bright soliton together with second-order rogue wave are gained respectively in the other two components. Besides, we observe second-order rogue wave together with one-breather in three components. Moreover, by increasing the absolute values of two free parameters, the nonlinear waves merge with each other distinctly. These results further reveal the interesting dynamic structures of localized waves in the three-component coupled system. Project supported by the Global Change Research Program of China (Grant No. 2015CB953904), the National Natural Science Foundation of China (Grant Nos. 11275072 and 11435005), the Doctoral Program of Higher Education of China (Grant No. 20120076110024), the Network Information Physics Calculation of Basic Research Innovation Research Group of China (Grant No. 61321064), and Shanghai Collaborative Innovation Center of Trustworthy Software for Internet of Things, China (Grant No. ZF1213).

GW170104: Observation of a 50-Solar-Mass Binary Black Hole Coalescence at Redshift 0.2

NASA Astrophysics Data System (ADS)

Abbott, B. P.; Abbott, R.; Abbott, T. D.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Adya, V. B.; Affeldt, C.; Afrough, M.; Agarwal, B.; Agathos, M.; Agatsuma, K.; Aggarwal, N.; Aguiar, O. D.; Aiello, L.; Ain, A.; Ajith, P.; Allen, B.; Allen, G.; Allocca, A.; Altin, P. A.; Amato, A.; Ananyeva, A.; Anderson, S. B.; Anderson, W. G.; Antier, S.; Appert, S.; Arai, K.; Araya, M. C.; Areeda, J. S.; Arnaud, N.; Arun, K. G.; Ascenzi, S.; Ashton, G.; Ast, M.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; AultONeal, K.; Avila-Alvarez, A.; Babak, S.; Bacon, P.; Bader, M. K. M.; Bae, S.; Baker, P. T.; Baldaccini, F.; Ballardin, G.; Ballmer, S. W.; Banagiri, S.; Barayoga, J. C.; Barclay, S. E.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barta, D.; Bartlett, J.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Baune, C.; Bawaj, M.; Bazzan, M.; Bécsy, B.; Beer, C.; Bejger, M.; Belahcene, I.; Bell, A. S.; Berger, B. K.; Bergmann, G.; Berry, C. P. L.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Bhagwat, S.; Bhandare, R.; Bilenko, I. A.; Billingsley, G.; Billman, C. R.; Birch, J.; Birney, R.; Birnholtz, O.; Biscans, S.; Bisht, A.; Bitossi, M.; Biwer, C.; Bizouard, M. A.; Blackburn, J. K.; Blackman, J.; Blair, C. D.; Blair, D. G.; Blair, R. M.; Bloemen, S.; Bock, O.; Bode, N.; Boer, M.; Bogaert, G.; Bohe, A.; Bondu, F.; Bonnand, R.; Boom, B. A.; Bork, R.; Boschi, V.; Bose, S.; Bouffanais, Y.; Bozzi, A.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brockill, P.; Broida, J. E.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brown, N. M.; Brunett, S.; Buchanan, C. C.; Buikema, A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Buskulic, D.; Buy, C.; Byer, R. L.; Cabero, M.; Cadonati, L.; Cagnoli, G.; Cahillane, C.; Calderón Bustillo, J.; Callister, T. A.; Calloni, E.; Camp, J. B.; Canepa, M.; Canizares, P.; Cannon, K. C.; Cao, H.; Cao, J.; Capano, C. D.; Capocasa, E.; Carbognani, F.; Caride, S.; Carney, M. F.; Casanueva Diaz, J.; Casentini, C.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C. B.; Cerboni Baiardi, L.; Cerretani, G.; Cesarini, E.; Chamberlin, S. J.; Chan, M.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Chatterjee, D.; Chatziioannou, K.; Cheeseboro, B. D.; Chen, H. Y.; Chen, Y.; Cheng, H.-P.; Chincarini, A.; Chiummo, A.; Chmiel, T.; Cho, H. S.; Cho, M.; Chow, J. H.; Christensen, N.; Chu, Q.; Chua, A. J. K.; Chua, S.; Chung, A. K. W.; Chung, S.; Ciani, G.; Ciolfi, R.; Cirelli, C. E.; Cirone, A.; Clara, F.; Clark, J. A.; Cleva, F.; Cocchieri, C.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C. G.; Cominsky, L. R.; Constancio, M.; Conti, L.; Cooper, S. J.; Corban, P.; Corbitt, T. R.; Corley, K. R.; Cornish, N.; Corsi, A.; Cortese, S.; Costa, C. A.; Coughlin, M. W.; Coughlin, S. B.; Coulon, J.-P.; Countryman, S. T.; Couvares, P.; Covas, P. B.; Cowan, E. E.; Coward, D. M.; Cowart, M. J.; Coyne, D. C.; Coyne, R.; Creighton, J. D. E.; Creighton, T. D.; Cripe, J.; Crowder, S. G.; Cullen, T. J.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dal Canton, T.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Dasgupta, A.; Da Silva Costa, C. F.; Dattilo, V.; Dave, I.; Davier, M.; Davis, D.; Daw, E. J.; Day, B.; De, S.; DeBra, D.; Deelman, E.; Degallaix, J.; De Laurentis, M.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dergachev, V.; De Rosa, R.; DeRosa, R. T.; DeSalvo, R.; Devenson, J.; Devine, R. C.; Dhurandhar, S.; Díaz, M. C.; Di Fiore, L.; Di Giovanni, M.; Di Girolamo, T.; Di Lieto, A.; Di Pace, S.; Di Palma, I.; Di Renzo, F.; Doctor, Z.; Dolique, V.; Donovan, F.; Dooley, K. L.; Doravari, S.; Dorrington, I.; Douglas, R.; Dovale Álvarez, M.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Du, Z.; Ducrot, M.; Duncan, J.; Dwyer, S. E.; Edo, T. B.; Edwards, M. C.; Effler, A.; Eggenstein, H.-B.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Eisenstein, R. A.; Essick, R. C.; Etienne, Z. B.; Etzel, T.; Evans, M.; Evans, T. M.; Factourovich, M.; Fafone, V.; Fair, H.; Fairhurst, S.; Fan, X.; Farinon, S.; Farr, B.; Farr, W. M.; Fauchon-Jones, E. J.; Favata, M.; Fays, M.; Fehrmann, H.; Feicht, J.; Fejer, M. M.; Fernandez-Galiana, A.; Ferrante, I.; Ferreira, E. C.; Ferrini, F.; Fidecaro, F.; Fiori, I.; Fiorucci, D.; Fisher, R. P.; Flaminio, R.; Fletcher, M.; Fong, H.; Forsyth, P. W. F.; Forsyth, S. S.; Fournier, J.-D.; Frasca, S.; Frasconi, F.; Frei, Z.; Freise, A.; Frey, R.; Frey, V.; Fries, E. M.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gabbard, H.; Gabel, M.; Gadre, B. U.; Gaebel, S. M.; Gair, J. R.; Gammaitoni, L.; Ganija, M. R.; Gaonkar, S. G.; Garufi, F.; Gaudio, S.; Gaur, G.; Gayathri, V.; Gehrels, N.; Gemme, G.; Genin, E.; Gennai, A.; George, D.; George, J.; Gergely, L.; Germain, V.; Ghonge, S.; Ghosh, Abhirup; Ghosh, Archisman; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, K.; Glover, L.; Goetz, E.; Goetz, R.; Gomes, S.; González, G.; Gonzalez Castro, J. M.; Gopakumar, A.; Gorodetsky, M. L.; Gossan, S. E.; Gosselin, M.; Gouaty, R.; Grado, A.; Graef, C.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greco, G.; Green, A. C.; Groot, P.; Grote, H.; Grunewald, S.; Gruning, P.; Guidi, G. M.; Guo, X.; Gupta, A.; Gupta, M. K.; Gushwa, K. E.; Gustafson, E. K.; Gustafson, R.; Hall, B. R.; Hall, E. D.; Hammond, G.; Haney, M.; Hanke, M. M.; Hanks, J.; Hanna, C.; Hannam, M. D.; Hannuksela, O. A.; Hanson, J.; Hardwick, T.; Harms, J.; Harry, G. M.; Harry, I. W.; Hart, M. J.; Haster, C.-J.; Haughian, K.; Healy, J.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Hennig, J.; Henry, J.; Heptonstall, A. W.; Heurs, M.; Hild, S.; Hoak, D.; Hofman, D.; Holt, K.; Holz, D. E.; Hopkins, P.; Horst, C.; Hough, J.; Houston, E. A.; Howell, E. J.; Hu, Y. M.; Huerta, E. A.; Huet, D.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Indik, N.; Ingram, D. R.; Inta, R.; Intini, G.; Isa, H. N.; Isac, J.-M.; Isi, M.; Iyer, B. R.; Izumi, K.; Jacqmin, T.; Jani, K.; Jaranowski, P.; Jawahar, S.; Jiménez-Forteza, F.; Johnson, W. W.; Johnson-McDaniel, N. K.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; Junker, J.; Kalaghatgi, C. V.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Karki, S.; Karvinen, K. S.; Kasprzack, M.; Katolik, M.; Katsavounidis, E.; Katzman, W.; Kaufer, S.; Kawabe, K.; Kéfélian, F.; Keitel, D.; Kemball, A. J.; Kennedy, R.; Kent, C.; Key, J. S.; Khalili, F. Y.; Khan, I.; Khan, S.; Khan, Z.; Khazanov, E. A.; Kijbunchoo, N.; Kim, Chunglee; Kim, J. C.; Kim, W.; Kim, W. S.; Kim, Y.-M.; Kimbrell, S. J.; King, E. J.; King, P. J.; Kirchhoff, R.; Kissel, J. S.; Kleybolte, L.; Klimenko, S.; Koch, P.; Koehlenbeck, S. M.; Koley, S.; Kondrashov, V.; Kontos, A.; Korobko, M.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Krämer, C.; Kringel, V.; Krishnan, B.; Królak, A.; Kuehn, G.; Kumar, P.; Kumar, R.; Kumar, S.; Kuo, L.; Kutynia, A.; Kwang, S.; Lackey, B. D.; Lai, K. H.; Landry, M.; Lang, R. N.; Lange, J.; Lantz, B.; Lanza, R. K.; Lartaux-Vollard, A.; Lasky, P. D.; Laxen, M.; Lazzarini, A.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Lee, H. W.; Lee, K.; Lehmann, J.; Lenon, A.; Leonardi, M.; Leroy, N.; Letendre, N.; Levin, Y.; Li, T. G. F.; Libson, A.; Littenberg, T. B.; Liu, J.; Lo, R. K. L.; Lockerbie, N. A.; London, L. T.; Lord, J. E.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J. D.; Lovelace, G.; Lück, H.; Lumaca, D.; Lundgren, A. P.; Lynch, R.; Ma, Y.; Macfoy, S.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magaña Hernandez, I.; Magaña-Sandoval, F.; Magaña Zertuche, L.; Magee, R. M.; Majorana, E.; Maksimovic, I.; Man, N.; Mandic, V.; Mangano, V.; Mansell, G. L.; Manske, M.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markakis, C.; Markosyan, A. S.; Maros, E.; Martelli, F.; Martellini, L.; Martin, I. W.; Martynov, D. V.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Masso-Reid, M.; Mastrogiovanni, S.; Matas, A.; Matichard, F.; Matone, L.; Mavalvala, N.; Mayani, R.; Mazumder, N.; McCarthy, R.; McClelland, D. E.; McCormick, S.; McCuller, L.; McGuire, S. C.; McIntyre, G.; McIver, J.; McManus, D. J.; McRae, T.; McWilliams, S. T.; Meacher, D.; Meadors, G. D.; Meidam, J.; Mejuto-Villa, E.; Melatos, A.; Mendell, G.; Mercer, R. A.; Merilh, E. L.; Merzougui, M.; Meshkov, S.; Messenger, C.; Messick, C.; Metzdorff, R.; Meyers, P. M.; Mezzani, F.; Miao, H.; Michel, C.; Middleton, H.; Mikhailov, E. E.; Milano, L.; Miller, A. L.; Miller, A.; Miller, B. B.; Miller, J.; Millhouse, M.; Minazzoli, O.; Minenkov, Y.; Ming, J.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Montani, M.; Moore, B. C.; Moore, C. J.; Moraru, D.; Moreno, G.; Morriss, S. R.; Mours, B.; Mow-Lowry, C. M.; Mueller, G.; Muir, A. W.; Mukherjee, Arunava; Mukherjee, D.; Mukherjee, S.; Mukund, N.; Mullavey, A.; Munch, J.; Muniz, E. A. M.; Murray, P. G.; Napier, K.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Nelemans, G.; Nelson, T. J. N.; Neri, M.; Nery, M.; Neunzert, A.; Newport, J. M.; Newton, G.; Ng, K. K. Y.; Nguyen, T. T.; Nichols, D.; Nielsen, A. B.; Nissanke, S.; Nitz, A.; Noack, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Oberling, J.; Ochsner, E.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oliver, M.; Oppermann, P.; Oram, Richard J.; O'Reilly, B.; Ormiston, R.; Ortega, L. F.; O'Shaughnessy, R.; Ottaway, D. J.; Overmier, H.; Owen, B. J.; Pace, A. E.; Page, J.; Page, M. A.; Pai, A.; Pai, S. A.; Palamos, J. R.; Palashov, O.; Palomba, C.; Pal-Singh, A.; Pan, H.; Pang, B.; Pang, P. T. H.; Pankow, C.; Pannarale, F.; Pant, B. C.; Paoletti, F.; Paoli, A.; Papa, M. A.; Paris, H. R.; Parker, W.; Pascucci, D.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patricelli, B.; Pearlstone, B. L.; Pedraza, M.; Pedurand, R.; Pekowsky, L.; Pele, A.; Penn, S.; Perez, C. J.; Perreca, A.; Perri, L. M.; Pfeiffer, H. P.; Phelps, M.; Piccinni, O. J.; Pichot, M.; Piergiovanni, F.; Pierro, V.; Pillant, G.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poggiani, R.; Popolizio, P.; Porter, E. K.; Post, A.; Powell, J.; Prasad, J.; Pratt, J. W. W.; Predoi, V.; Prestegard, T.; Prijatelj, M.; Principe, M.; Privitera, S.; Prodi, G. A.; Prokhorov, L. G.; Puncken, O.; Punturo, M.; Puppo, P.; Pürrer, M.; Qi, H.; Qin, J.; Qiu, S.; Quetschke, V.; Quintero, E. A.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Radkins, H.; Raffai, P.; Raja, S.; Rajan, C.; Rakhmanov, M.; Ramirez, K. E.; Rapagnani, P.; Raymond, V.; Razzano, M.; Read, J.; Regimbau, T.; Rei, L.; Reid, S.; Reitze, D. H.; Rew, H.; Reyes, S. D.; Ricci, F.; Ricker, P. M.; Rieger, S.; Riles, K.; Rizzo, M.; Robertson, N. A.; Robie, R.; Robinet, F.; Rocchi, A.; Rolland, L.; Rollins, J. G.; Roma, V. J.; Romano, J. D.; Romano, R.; Romel, C. L.; Romie, J. H.; Rosińska, D.; Ross, M. P.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Rynge, M.; Sachdev, S.; Sadecki, T.; Sadeghian, L.; Sakellariadou, M.; Salconi, L.; Saleem, M.; Salemi, F.; Samajdar, A.; Sammut, L.; Sampson, L. M.; Sanchez, E. J.; Sandberg, V.; Sandeen, B.; Sanders, J. R.; Sassolas, B.; Sathyaprakash, B. S.; Saulson, P. R.; Sauter, O.; Savage, R. L.; Sawadsky, A.; Schale, P.; Scheuer, J.; Schmidt, E.; Schmidt, J.; Schmidt, P.; Schnabel, R.; Schofield, R. M. S.; Schönbeck, A.; Schreiber, E.; Schuette, D.; Schulte, B. W.; Schutz, B. F.; Schwalbe, S. G.; Scott, J.; Scott, S. M.; Seidel, E.; Sellers, D.; Sengupta, A. S.; Sentenac, D.; Sequino, V.; Sergeev, A.; Shaddock, D. A.; Shaffer, T. J.; Shah, A. A.; Shahriar, M. S.; Shao, L.; Shapiro, B.; Shawhan, P.; Sheperd, A.; Shoemaker, D. H.; Shoemaker, D. M.; Siellez, K.; Siemens, X.; Sieniawska, M.; Sigg, D.; Silva, A. D.; Singer, A.; Singer, L. P.; Singh, A.; Singh, R.; Singhal, A.; Sintes, A. M.; Slagmolen, B. J. J.; Smith, B.; Smith, J. R.; Smith, R. J. E.; Son, E. J.; Sonnenberg, J. A.; Sorazu, B.; Sorrentino, F.; Souradeep, T.; Spencer, A. P.; Srivastava, A. K.; Staley, A.; Steinke, M.; Steinlechner, J.; Steinlechner, S.; Steinmeyer, D.; Stephens, B. C.; Stevenson, S. P.; Stone, R.; Strain, K. A.; Stratta, G.; Strigin, S. E.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sun, L.; Sunil, S.; Sutton, P. J.; Swinkels, B. L.; Szczepańczyk, M. J.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tápai, M.; Taracchini, A.; Taylor, J. A.; Taylor, R.; Theeg, T.; Thomas, E. G.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Tiwari, S.; Tiwari, V.; Tokmakov, K. V.; Toland, K.; Tonelli, M.; Tornasi, Z.; Torrie, C. I.; Töyrä, D.; Travasso, F.; Traylor, G.; Trifirò, D.; Trinastic, J.; Tringali, M. C.; Trozzo, L.; Tsang, K. W.; Tse, M.; Tso, R.; Tuyenbayev, D.; Ueno, K.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Usman, S. A.; Vahi, K.; Vahlbruch, H.; Vajente, G.; Valdes, G.; Vallisneri, M.; van Bakel, N.; van Beuzekom, M.; van den Brand, J. F. J.; Van Den Broeck, C.; Vander-Hyde, D. C.; van der Schaaf, L.; van Heijningen, J. V.; van Veggel, A. A.; Vardaro, M.; Varma, V.; Vass, S.; Vasúth, M.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Venugopalan, G.; Verkindt, D.; Vetrano, F.; Viceré, A.; Viets, A. D.; Vinciguerra, S.; Vine, D. J.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Voss, D. V.; Vousden, W. D.; Vyatchanin, S. P.; Wade, A. R.; Wade, L. E.; Wade, M.; Wald, R. M.; Walet, R.; Walker, M.; Wallace, L.; Walsh, S.; Wang, G.; Wang, H.; Wang, J. Z.; Wang, M.; Wang, Y.-F.; Wang, Y.; Ward, R. L.; Warner, J.; Was, M.; Watchi, J.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Wen, L.; Wessel, E. K.; Weßels, P.; Westphal, T.; Wette, K.; Whelan, J. T.; Whiting, B. F.; Whittle, C.; Williams, D.; Williams, R. D.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M. H.; Winkler, W.; Wipf, C. C.; Wittel, H.; Woan, G.; Woehler, J.; Wofford, J.; Wong, K. W. K.; Worden, J.; Wright, J. L.; Wu, D. S.; Wu, G.; Yam, W.; Yamamoto, H.; Yancey, C. C.; Yap, M. J.; Yu, Hang; Yu, Haocun; Yvert, M.; ZadroŻny, A.; Zanolin, M.; Zelenova, T.; Zendri, J.-P.; Zevin, M.; Zhang, L.; Zhang, M.; Zhang, T.; Zhang, Y.-H.; Zhao, C.; Zhou, M.; Zhou, Z.; Zhu, X. J.; Zimmerman, A.; Zucker, M. E.; Zweizig, J.; LIGO Scientific; Virgo Collaboration

2017-06-01

We describe the observation of GW170104, a gravitational-wave signal produced by the coalescence of a pair of stellar-mass black holes. The signal was measured on January 4, 2017 at 10∶11:58.6 UTC by the twin advanced detectors of the Laser Interferometer Gravitational-Wave Observatory during their second observing run, with a network signal-to-noise ratio of 13 and a false alarm rate less than 1 in 70 000 years. The inferred component black hole masses are 31. 2-6.0+8.4M⊙ and 19. 4-5.9+5.3 M⊙ (at the 90% credible level). The black hole spins are best constrained through measurement of the effective inspiral spin parameter, a mass-weighted combination of the spin components perpendicular to the orbital plane, χeff=-0.1 2-0.30+0.21 . This result implies that spin configurations with both component spins positively aligned with the orbital angular momentum are disfavored. The source luminosity distance is 88 0-390+450 Mpc corresponding to a redshift of z =0.1 8-0.07+0.08 . We constrain the magnitude of modifications to the gravitational-wave dispersion relation and perform null tests of general relativity. Assuming that gravitons are dispersed in vacuum like massive particles, we bound the graviton mass to mg≤7.7 ×10-23 eV /c2 . In all cases, we find that GW170104 is consistent with general relativity.

GW170104: Observation of a 50-Solar-Mass Binary Black Hole Coalescence at Redshift 0.2.

PubMed

Abbott, B P; Abbott, R; Abbott, T D; Acernese, F; Ackley, K; Adams, C; Adams, T; Addesso, P; Adhikari, R X; Adya, V B; Affeldt, C; Afrough, M; Agarwal, B; Agathos, M; Agatsuma, K; Aggarwal, N; Aguiar, O D; Aiello, L; Ain, A; Ajith, P; Allen, B; Allen, G; Allocca, A; Altin, P A; Amato, A; Ananyeva, A; Anderson, S B; Anderson, W G; Antier, S; Appert, S; Arai, K; Araya, M C; Areeda, J S; Arnaud, N; Arun, K G; Ascenzi, S; Ashton, G; Ast, M; Aston, S M; Astone, P; Aufmuth, P; Aulbert, C; AultONeal, K; Avila-Alvarez, A; Babak, S; Bacon, P; Bader, M K M; Bae, S; Baker, P T; Baldaccini, F; Ballardin, G; Ballmer, S W; Banagiri, S; Barayoga, J C; Barclay, S E; Barish, B C; Barker, D; Barone, F; Barr, B; Barsotti, L; Barsuglia, M; Barta, D; Bartlett, J; Bartos, I; Bassiri, R; Basti, A; Batch, J C; Baune, C; Bawaj, M; Bazzan, M; Bécsy, B; Beer, C; Bejger, M; Belahcene, I; Bell, A S; Berger, B K; Bergmann, G; Berry, C P L; Bersanetti, D; Bertolini, A; Betzwieser, J; Bhagwat, S; Bhandare, R; Bilenko, I A; Billingsley, G; Billman, C R; Birch, J; Birney, R; Birnholtz, O; Biscans, S; Bisht, A; Bitossi, M; Biwer, C; Bizouard, M A; Blackburn, J K; Blackman, J; Blair, C D; Blair, D G; Blair, R M; Bloemen, S; Bock, O; Bode, N; Boer, M; Bogaert, G; Bohe, A; Bondu, F; Bonnand, R; Boom, B A; Bork, R; Boschi, V; Bose, S; Bouffanais, Y; Bozzi, A; Bradaschia, C; Brady, P R; Braginsky, V B; Branchesi, M; Brau, J E; Briant, T; Brillet, A; Brinkmann, M; Brisson, V; Brockill, P; Broida, J E; Brooks, A F; Brown, D A; Brown, D D; Brown, N M; Brunett, S; Buchanan, C C; Buikema, A; Bulik, T; Bulten, H J; Buonanno, A; Buskulic, D; Buy, C; Byer, R L; Cabero, M; Cadonati, L; Cagnoli, G; Cahillane, C; Calderón Bustillo, J; Callister, T A; Calloni, E; Camp, J B; Canepa, M; Canizares, P; Cannon, K C; Cao, H; Cao, J; Capano, C D; Capocasa, E; Carbognani, F; Caride, S; Carney, M F; Casanueva Diaz, J; Casentini, C; Caudill, S; Cavaglià, M; Cavalier, F; Cavalieri, R; Cella, G; Cepeda, C B; Cerboni Baiardi, L; Cerretani, G; Cesarini, E; Chamberlin, S J; Chan, M; Chao, S; Charlton, P; Chassande-Mottin, E; Chatterjee, D; Chatziioannou, K; Cheeseboro, B D; Chen, H Y; Chen, Y; Cheng, H-P; Chincarini, A; Chiummo, A; Chmiel, T; Cho, H S; Cho, M; Chow, J H; Christensen, N; Chu, Q; Chua, A J K; Chua, S; Chung, A K W; Chung, S; Ciani, G; Ciolfi, R; Cirelli, C E; Cirone, A; Clara, F; Clark, J A; Cleva, F; Cocchieri, C; Coccia, E; Cohadon, P-F; Colla, A; Collette, C G; Cominsky, L R; Constancio, M; Conti, L; Cooper, S J; Corban, P; Corbitt, T R; Corley, K R; Cornish, N; Corsi, A; Cortese, S; Costa, C A; Coughlin, M W; Coughlin, S B; Coulon, J-P; Countryman, S T; Couvares, P; Covas, P B; Cowan, E E; Coward, D M; Cowart, M J; Coyne, D C; Coyne, R; Creighton, J D E; Creighton, T D; Cripe, J; Crowder, S G; Cullen, T J; Cumming, A; Cunningham, L; Cuoco, E; Dal Canton, T; Danilishin, S L; D'Antonio, S; Danzmann, K; Dasgupta, A; Da Silva Costa, C F; Dattilo, V; Dave, I; Davier, M; Davis, D; Daw, E J; Day, B; De, S; DeBra, D; Deelman, E; Degallaix, J; De Laurentis, M; Deléglise, S; Del Pozzo, W; Denker, T; Dent, T; Dergachev, V; De Rosa, R; DeRosa, R T; DeSalvo, R; Devenson, J; Devine, R C; Dhurandhar, S; Díaz, M C; Di Fiore, L; Di Giovanni, M; Di Girolamo, T; Di Lieto, A; Di Pace, S; Di Palma, I; Di Renzo, F; Doctor, Z; Dolique, V; Donovan, F; Dooley, K L; Doravari, S; Dorrington, I; Douglas, R; Dovale Álvarez, M; Downes, T P; Drago, M; Drever, R W P; Driggers, J C; Du, Z; Ducrot, M; Duncan, J; Dwyer, S E; Edo, T B; Edwards, M C; Effler, A; Eggenstein, H-B; Ehrens, P; Eichholz, J; Eikenberry, S S; Eisenstein, R A; Essick, R C; Etienne, Z B; Etzel, T; Evans, M; Evans, T M; Factourovich, M; Fafone, V; Fair, H; Fairhurst, S; Fan, X; Farinon, S; Farr, B; Farr, W M; Fauchon-Jones, E J; Favata, M; Fays, M; Fehrmann, H; Feicht, J; Fejer, M M; Fernandez-Galiana, A; Ferrante, I; Ferreira, E C; Ferrini, F; Fidecaro, F; Fiori, I; Fiorucci, D; Fisher, R P; Flaminio, R; Fletcher, M; Fong, H; Forsyth, P W F; Forsyth, S S; Fournier, J-D; Frasca, S; Frasconi, F; Frei, Z; Freise, A; Frey, R; Frey, V; Fries, E M; Fritschel, P; Frolov, V V; Fulda, P; Fyffe, M; Gabbard, H; Gabel, M; Gadre, B U; Gaebel, S M; Gair, J R; Gammaitoni, L; Ganija, M R; Gaonkar, S G; Garufi, F; Gaudio, S; Gaur, G; Gayathri, V; Gehrels, N; Gemme, G; Genin, E; Gennai, A; George, D; George, J; Gergely, L; Germain, V; Ghonge, S; Ghosh, Abhirup; Ghosh, Archisman; Ghosh, S; Giaime, J A; Giardina, K D; Giazotto, A; Gill, K; Glover, L; Goetz, E; Goetz, R; Gomes, S; González, G; Gonzalez Castro, J M; Gopakumar, A; Gorodetsky, M L; Gossan, S E; Gosselin, M; Gouaty, R; Grado, A; Graef, C; Granata, M; Grant, A; Gras, S; Gray, C; Greco, G; Green, A C; Groot, P; Grote, H; Grunewald, S; Gruning, P; Guidi, G M; Guo, X; Gupta, A; Gupta, M K; Gushwa, K E; Gustafson, E K; Gustafson, R; Hall, B R; Hall, E D; Hammond, G; Haney, M; Hanke, M M; Hanks, J; Hanna, C; Hannam, M D; Hannuksela, O A; Hanson, J; Hardwick, T; Harms, J; Harry, G M; Harry, I W; Hart, M J; Haster, C-J; Haughian, K; Healy, J; Heidmann, A; Heintze, M C; Heitmann, H; Hello, P; Hemming, G; Hendry, M; Heng, I S; Hennig, J; Henry, J; Heptonstall, A W; Heurs, M; Hild, S; Hoak, D; Hofman, D; Holt, K; Holz, D E; Hopkins, P; Horst, C; Hough, J; Houston, E A; Howell, E J; Hu, Y M; Huerta, E A; Huet, D; Hughey, B; Husa, S; Huttner, S H; Huynh-Dinh, T; Indik, N; Ingram, D R; Inta, R; Intini, G; Isa, H N; Isac, J-M; Isi, M; Iyer, B R; Izumi, K; Jacqmin, T; Jani, K; Jaranowski, P; Jawahar, S; Jiménez-Forteza, F; Johnson, W W; Johnson-McDaniel, N K; Jones, D I; Jones, R; Jonker, R J G; Ju, L; Junker, J; Kalaghatgi, C V; Kalogera, V; Kandhasamy, S; Kang, G; Kanner, J B; Karki, S; Karvinen, K S; Kasprzack, M; Katolik, M; Katsavounidis, E; Katzman, W; Kaufer, S; Kawabe, K; Kéfélian, F; Keitel, D; Kemball, A J; Kennedy, R; Kent, C; Key, J S; Khalili, F Y; Khan, I; Khan, S; Khan, Z; Khazanov, E A; Kijbunchoo, N; Kim, Chunglee; Kim, J C; Kim, W; Kim, W S; Kim, Y-M; Kimbrell, S J; King, E J; King, P J; Kirchhoff, R; Kissel, J S; Kleybolte, L; Klimenko, S; Koch, P; Koehlenbeck, S M; Koley, S; Kondrashov, V; Kontos, A; Korobko, M; Korth, W Z; Kowalska, I; Kozak, D B; Krämer, C; Kringel, V; Krishnan, B; Królak, A; Kuehn, G; Kumar, P; Kumar, R; Kumar, S; Kuo, L; Kutynia, A; Kwang, S; Lackey, B D; Lai, K H; Landry, M; Lang, R N; Lange, J; Lantz, B; Lanza, R K; Lartaux-Vollard, A; Lasky, P D; Laxen, M; Lazzarini, A; Lazzaro, C; Leaci, P; Leavey, S; Lee, C H; Lee, H K; Lee, H M; Lee, H W; Lee, K; Lehmann, J; Lenon, A; Leonardi, M; Leroy, N; Letendre, N; Levin, Y; Li, T G F; Libson, A; Littenberg, T B; Liu, J; Lo, R K L; Lockerbie, N A; London, L T; Lord, J E; Lorenzini, M; Loriette, V; Lormand, M; Losurdo, G; Lough, J D; Lovelace, G; Lück, H; Lumaca, D; Lundgren, A P; Lynch, R; Ma, Y; Macfoy, S; Machenschalk, B; MacInnis, M; Macleod, D M; Magaña Hernandez, I; Magaña-Sandoval, F; Magaña Zertuche, L; Magee, R M; Majorana, E; Maksimovic, I; Man, N; Mandic, V; Mangano, V; Mansell, G L; Manske, M; Mantovani, M; Marchesoni, F; Marion, F; Márka, S; Márka, Z; Markakis, C; Markosyan, A S; Maros, E; Martelli, F; Martellini, L; Martin, I W; Martynov, D V; Marx, J N; Mason, K; Masserot, A; Massinger, T J; Masso-Reid, M; Mastrogiovanni, S; Matas, A; Matichard, F; Matone, L; Mavalvala, N; Mayani, R; Mazumder, N; McCarthy, R; McClelland, D E; McCormick, S; McCuller, L; McGuire, S C; McIntyre, G; McIver, J; McManus, D J; McRae, T; McWilliams, S T; Meacher, D; Meadors, G D; Meidam, J; Mejuto-Villa, E; Melatos, A; Mendell, G; Mercer, R A; Merilh, E L; Merzougui, M; Meshkov, S; Messenger, C; Messick, C; Metzdorff, R; Meyers, P M; Mezzani, F; Miao, H; Michel, C; Middleton, H; Mikhailov, E E; Milano, L; Miller, A L; Miller, A; Miller, B B; Miller, J; Millhouse, M; Minazzoli, O; Minenkov, Y; Ming, J; Mishra, C; Mitra, S; Mitrofanov, V P; Mitselmakher, G; Mittleman, R; Moggi, A; Mohan, M; Mohapatra, S R P; Montani, M; Moore, B C; Moore, C J; Moraru, D; Moreno, G; Morriss, S R; Mours, B; Mow-Lowry, C M; Mueller, G; Muir, A W; Mukherjee, Arunava; Mukherjee, D; Mukherjee, S; Mukund, N; Mullavey, A; Munch, J; Muniz, E A M; Murray, P G; Napier, K; Nardecchia, I; Naticchioni, L; Nayak, R K; Nelemans, G; Nelson, T J N; Neri, M; Nery, M; Neunzert, A; Newport, J M; Newton, G; Ng, K K Y; Nguyen, T T; Nichols, D; Nielsen, A B; Nissanke, S; Nitz, A; Noack, A; Nocera, F; Nolting, D; Normandin, M E N; Nuttall, L K; Oberling, J; Ochsner, E; Oelker, E; Ogin, G H; Oh, J J; Oh, S H; Ohme, F; Oliver, M; Oppermann, P; Oram, Richard J; O'Reilly, B; Ormiston, R; Ortega, L F; O'Shaughnessy, R; Ottaway, D J; Overmier, H; Owen, B J; Pace, A E; Page, J; Page, M A; Pai, A; Pai, S A; Palamos, J R; Palashov, O; Palomba, C; Pal-Singh, A; Pan, H; Pang, B; Pang, P T H; Pankow, C; Pannarale, F; Pant, B C; Paoletti, F; Paoli, A; Papa, M A; Paris, H R; Parker, W; Pascucci, D; Pasqualetti, A; Passaquieti, R; Passuello, D; Patricelli, B; Pearlstone, B L; Pedraza, M; Pedurand, R; Pekowsky, L; Pele, A; Penn, S; Perez, C J; Perreca, A; Perri, L M; Pfeiffer, H P; Phelps, M; Piccinni, O J; Pichot, M; Piergiovanni, F; Pierro, V; Pillant, G; Pinard, L; Pinto, I M; Pitkin, M; Poggiani, R; Popolizio, P; Porter, E K; Post, A; Powell, J; Prasad, J; Pratt, J W W; Predoi, V; Prestegard, T; Prijatelj, M; Principe, M; Privitera, S; Prodi, G A; Prokhorov, L G; Puncken, O; Punturo, M; Puppo, P; Pürrer, M; Qi, H; Qin, J; Qiu, S; Quetschke, V; Quintero, E A; Quitzow-James, R; Raab, F J; Rabeling, D S; Radkins, H; Raffai, P; Raja, S; Rajan, C; Rakhmanov, M; Ramirez, K E; Rapagnani, P; Raymond, V; Razzano, M; Read, J; Regimbau, T; Rei, L; Reid, S; Reitze, D H; Rew, H; Reyes, S D; Ricci, F; Ricker, P M; Rieger, S; Riles, K; Rizzo, M; Robertson, N A; Robie, R; Robinet, F; Rocchi, A; Rolland, L; Rollins, J G; Roma, V J; Romano, J D; Romano, R; Romel, C L; Romie, J H; Rosińska, D; Ross, M P; Rowan, S; Rüdiger, A; Ruggi, P; Ryan, K; Rynge, M; Sachdev, S; Sadecki, T; Sadeghian, L; Sakellariadou, M; Salconi, L; Saleem, M; Salemi, F; Samajdar, A; Sammut, L; Sampson, L M; Sanchez, E J; Sandberg, V; Sandeen, B; Sanders, J R; Sassolas, B; Sathyaprakash, B S; Saulson, P R; Sauter, O; Savage, R L; Sawadsky, A; Schale, P; Scheuer, J; Schmidt, E; Schmidt, J; Schmidt, P; Schnabel, R; Schofield, R M S; Schönbeck, A; Schreiber, E; Schuette, D; Schulte, B W; Schutz, B F; Schwalbe, S G; Scott, J; Scott, S M; Seidel, E; Sellers, D; Sengupta, A S; Sentenac, D; Sequino, V; Sergeev, A; Shaddock, D A; Shaffer, T J; Shah, A A; Shahriar, M S; Shao, L; Shapiro, B; Shawhan, P; Sheperd, A; Shoemaker, D H; Shoemaker, D M; Siellez, K; Siemens, X; Sieniawska, M; Sigg, D; Silva, A D; Singer, A; Singer, L P; Singh, A; Singh, R; Singhal, A; Sintes, A M; Slagmolen, B J J; Smith, B; Smith, J R; Smith, R J E; Son, E J; Sonnenberg, J A; Sorazu, B; Sorrentino, F; Souradeep, T; Spencer, A P; Srivastava, A K; Staley, A; Steinke, M; Steinlechner, J; Steinlechner, S; Steinmeyer, D; Stephens, B C; Stevenson, S P; Stone, R; Strain, K A; Stratta, G; Strigin, S E; Sturani, R; Stuver, A L; Summerscales, T Z; Sun, L; Sunil, S; Sutton, P J; Swinkels, B L; Szczepańczyk, M J; Tacca, M; Talukder, D; Tanner, D B; Tápai, M; Taracchini, A; Taylor, J A; Taylor, R; Theeg, T; Thomas, E G; Thomas, M; Thomas, P; Thorne, K A; Thorne, K S; Thrane, E; Tiwari, S; Tiwari, V; Tokmakov, K V; Toland, K; Tonelli, M; Tornasi, Z; Torrie, C I; Töyrä, D; Travasso, F; Traylor, G; Trifirò, D; Trinastic, J; Tringali, M C; Trozzo, L; Tsang, K W; Tse, M; Tso, R; Tuyenbayev, D; Ueno, K; Ugolini, D; Unnikrishnan, C S; Urban, A L; Usman, S A; Vahi, K; Vahlbruch, H; Vajente, G; Valdes, G; Vallisneri, M; van Bakel, N; van Beuzekom, M; van den Brand, J F J; Van Den Broeck, C; Vander-Hyde, D C; van der Schaaf, L; van Heijningen, J V; van Veggel, A A; Vardaro, M; Varma, V; Vass, S; Vasúth, M; Vecchio, A; Vedovato, G; Veitch, J; Veitch, P J; Venkateswara, K; Venugopalan, G; Verkindt, D; Vetrano, F; Viceré, A; Viets, A D; Vinciguerra, S; Vine, D J; Vinet, J-Y; Vitale, S; Vo, T; Vocca, H; Vorvick, C; Voss, D V; Vousden, W D; Vyatchanin, S P; Wade, A R; Wade, L E; Wade, M; Wald, R M; Walet, R; Walker, M; Wallace, L; Walsh, S; Wang, G; Wang, H; Wang, J Z; Wang, M; Wang, Y-F; Wang, Y; Ward, R L; Warner, J; Was, M; Watchi, J; Weaver, B; Wei, L-W; Weinert, M; Weinstein, A J; Weiss, R; Wen, L; Wessel, E K; Weßels, P; Westphal, T; Wette, K; Whelan, J T; Whiting, B F; Whittle, C; Williams, D; Williams, R D; Williamson, A R; Willis, J L; Willke, B; Wimmer, M H; Winkler, W; Wipf, C C; Wittel, H; Woan, G; Woehler, J; Wofford, J; Wong, K W K; Worden, J; Wright, J L; Wu, D S; Wu, G; Yam, W; Yamamoto, H; Yancey, C C; Yap, M J; Yu, Hang; Yu, Haocun; Yvert, M; Zadrożny, A; Zanolin, M; Zelenova, T; Zendri, J-P; Zevin, M; Zhang, L; Zhang, M; Zhang, T; Zhang, Y-H; Zhao, C; Zhou, M; Zhou, Z; Zhu, X J; Zimmerman, A; Zucker, M E; Zweizig, J

2017-06-02

We describe the observation of GW170104, a gravitational-wave signal produced by the coalescence of a pair of stellar-mass black holes. The signal was measured on January 4, 2017 at 10∶11:58.6 UTC by the twin advanced detectors of the Laser Interferometer Gravitational-Wave Observatory during their second observing run, with a network signal-to-noise ratio of 13 and a false alarm rate less than 1 in 70 000 years. The inferred component black hole masses are 31.2_{-6.0}^{+8.4}M_{⊙} and 19.4_{-5.9}^{+5.3}M_{⊙} (at the 90% credible level). The black hole spins are best constrained through measurement of the effective inspiral spin parameter, a mass-weighted combination of the spin components perpendicular to the orbital plane, χ_{eff}=-0.12_{-0.30}^{+0.21}. This result implies that spin configurations with both component spins positively aligned with the orbital angular momentum are disfavored. The source luminosity distance is 880_{-390}^{+450}  Mpc corresponding to a redshift of z=0.18_{-0.07}^{+0.08}. We constrain the magnitude of modifications to the gravitational-wave dispersion relation and perform null tests of general relativity. Assuming that gravitons are dispersed in vacuum like massive particles, we bound the graviton mass to m_{g}≤7.7×10^{-23}  eV/c^{2}. In all cases, we find that GW170104 is consistent with general relativity.

Electrical control of a confined electron spin in a silicene quantum dot

NASA Astrophysics Data System (ADS)

Szafran, Bartłomiej; Mreńca-Kolasińska, Alina; Rzeszotarski, Bartłomiej; Żebrowski, Dariusz

2018-04-01

We study spin control for an electron confined in a flake of silicene. We find that the lowest-energy conduction-band levels are split by the diagonal intrinsic spin-orbit coupling into Kramers doublets with a definite projection of the spin on the orbital magnetic moment. We study the spin control by AC electric fields using the nondiagonal Rashba component of the spin-orbit interactions with the time-dependent atomistic tight-binding approach. The Rashba interactions in AC electric fields produce Rabi spin-flip times of the order of a nanosecond. These times can be reduced to tens of picoseconds provided that the vertical electric field is tuned to an avoided crossing opened by the Rashba spin-orbit interaction. We demonstrate that the speedup of the spin transitions is possible due to the intervalley coupling induced by the armchair edge of the flake. The study is confronted with the results for circular quantum dots decoupled from the edge with well defined angular momentum and valley index.

Holographic entanglement entropy in Suzuki-Trotter decomposition of spin systems.

PubMed

Matsueda, Hiroaki

2012-03-01

In quantum spin chains at criticality, two types of scaling for the entanglement entropy exist: one comes from conformal field theory (CFT), and the other is for entanglement support of matrix product state (MPS) approximation. On the other hand, the quantum spin-chain models can be mapped onto two-dimensional (2D) classical ones by the Suzuki-Trotter decomposition. Motivated by the scaling and the mapping, we introduce information entropy for 2D classical spin configurations as well as a spectrum, and examine their basic properties in the Ising and the three-state Potts models on the square lattice. They are defined by the singular values of the reduced density matrix for a Monte Carlo snapshot. We find scaling relations of the entropy compatible with the CFT and the MPS results. Thus, we propose that the entropy is a kind of "holographic" entanglement entropy. At T(c), the spin configuration is fractal, and various sizes of ordered clusters coexist. Then, the singular values automatically decompose the original snapshot into a set of images with different length scales, respectively. This is the origin of the scaling. In contrast to the MPS scaling, long-range spin correlation can be described by only few singular values. Furthermore, the spectrum, which is a set of logarithms of the singular values, also seems to be a holographic entanglement spectrum. We find multiple gaps in the spectrum, and in contrast to the topological phases, the low-lying levels below the gap represent spontaneous symmetry breaking. These contrasts are strong evidence of the dual nature of the holography. Based on these observations, we discuss the amount of information contained in one snapshot.

Strength and scales of itinerant spin fluctuations in 3 d paramagnetic metals

DOE PAGES

Wysocki, Aleksander L.; Kutepov, Andrey; Antropov, Vladimir P.

2016-10-10

The full spin density fluctuations (SDF) spectra in 3d paramagnetic metals are analyzed from first principles using the linear response technique. Using the calculated complete wave vector and energy dependence of the dynamic spin susceptibility, we obtain the most important, but elusive, characteristic of SDF in solids: on-site spin correlator (SC). We demonstrate that the SDF have a mixed character consisting of interacting collective and single-particle excitations of similar strength spreading continuously over the entire Brillouin zone and a wide energy range up to femtosecond time scales. These excitations cannot be adiabatically separated and their intrinsically multiscale nature should alwaysmore » be taken into account for a proper description of metallic systems. Altogether, in all studied systems, despite the lack of local moment, we found a very large SC resulting in an effective fluctuating moment of the order of several Bohr magnetons.« less

Strength and scales of itinerant spin fluctuations in 3 d paramagnetic metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wysocki, Aleksander L.; Kutepov, Andrey; Antropov, Vladimir P.

The full spin density fluctuations (SDF) spectra in 3d paramagnetic metals are analyzed from first principles using the linear response technique. Using the calculated complete wave vector and energy dependence of the dynamic spin susceptibility, we obtain the most important, but elusive, characteristic of SDF in solids: on-site spin correlator (SC). We demonstrate that the SDF have a mixed character consisting of interacting collective and single-particle excitations of similar strength spreading continuously over the entire Brillouin zone and a wide energy range up to femtosecond time scales. These excitations cannot be adiabatically separated and their intrinsically multiscale nature should alwaysmore » be taken into account for a proper description of metallic systems. Altogether, in all studied systems, despite the lack of local moment, we found a very large SC resulting in an effective fluctuating moment of the order of several Bohr magnetons.« less

Characterizing Solution Surface Loop Conformational Flexibility of the GM2 Activator Protein

PubMed Central

2015-01-01

GM2AP has a β-cup topology with numerous X-ray structures showing multiple conformations for some of the surface loops, revealing conformational flexibility that may be related to function, where function is defined as either membrane binding associated with ligand binding and extraction or interaction with other proteins. Here, site-directed spin labeling (SDSL) electron paramagnetic resonance (EPR) spectroscopy and molecular dynamic (MD) simulations are used to characterize the mobility and conformational flexibility of various structural regions of GM2AP. A series of 10 single cysteine amino acid substitutions were generated, and the constructs were chemically modified with the methanethiosulfonate spin label. Continuous wave (CW) EPR line shapes were obtained and subsequently simulated using the microscopic order macroscopic disorder (MOMD) program. Line shapes for sites that have multiple conformations in the X-ray structures required two spectral components, whereas spectra of the remaining sites were adequately fit with single-component parameters. For spin labeled sites L126C and I66C, spectra were acquired as a function of temperature, and simulations provided for the determination of thermodynamic parameters associated with conformational change. Binding to GM2 ligand did not alter the conformational flexibility of the loops, as evaluated by EPR and NMR spectroscopies. These results confirm that the conformational flexibility observed in the surface loops of GM2AP crystals is present in solution and that the exchange is slow on the EPR time scale (>ns). Furthermore, MD simulation results are presented and agree well with the conformational heterogeneity revealed by SDSL. PMID:25127419

Calculation of binary magnetic properties and potential energy curve in xenon dimer: second virial coefficient of (129)Xe nuclear shielding.

PubMed

Hanni, Matti; Lantto, Perttu; Runeberg, Nino; Jokisaari, Jukka; Vaara, Juha

2004-09-22

Quantum chemical calculations of the nuclear shielding tensor, the nuclear quadrupole coupling tensor, and the spin-rotation tensor are reported for the Xe dimer using ab initio quantum chemical methods. The binary chemical shift delta, the anisotropy of the shielding tensor Delta sigma, the nuclear quadrupole coupling tensor component along the internuclear axis chi( parallel ), and the spin-rotation constant C( perpendicular ) are presented as a function of internuclear distance. The basis set superposition error is approximately corrected for by using the counterpoise correction (CP) method. Electron correlation effects are systematically studied via the Hartree-Fock, complete active space self-consistent field, second-order Møller-Plesset many-body perturbation, and coupled-cluster singles and doubles (CCSD) theories, the last one without and with noniterative triples, at the nonrelativistic all-electron level. We also report a high-quality theoretical interatomic potential for the Xe dimer, gained using the relativistic effective potential/core polarization potential scheme. These calculations used valence basis set of cc-pVQZ quality supplemented with a set of midbond functions. The second virial coefficient of Xe nuclear shielding, which is probably the experimentally best-characterized intermolecular interaction effect in nuclear magnetic resonance spectroscopy, is computed as a function of temperature, and compared to experiment and earlier theoretical results. The best results for the second virial coefficient, obtained using the CCSD(CP) binary chemical shift curve and either our best theoretical potential or the empirical potentials from the literature, are in good agreement with experiment. Zero-point vibrational corrections of delta, Delta sigma, chi (parallel), and C (perpendicular) in the nu=0, J=0 rovibrational ground state of the xenon dimer are also reported.

Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maurer, S. A.; Kussmann, J.; Ochsenfeld, C., E-mail: Christian.Ochsenfeld@cup.uni-muenchen.de

2014-08-07

We present a low-prefactor, cubically scaling scaled-opposite-spin second-order Møller-Plesset perturbation theory (SOS-MP2) method which is highly suitable for massively parallel architectures like graphics processing units (GPU). The scaling is reduced from O(N{sup 5}) to O(N{sup 3}) by a reformulation of the MP2-expression in the atomic orbital basis via Laplace transformation and the resolution-of-the-identity (RI) approximation of the integrals in combination with efficient sparse algebra for the 3-center integral transformation. In contrast to previous works that employ GPUs for post Hartree-Fock calculations, we do not simply employ GPU-based linear algebra libraries to accelerate the conventional algorithm. Instead, our reformulation allows tomore » replace the rate-determining contraction step with a modified J-engine algorithm, that has been proven to be highly efficient on GPUs. Thus, our SOS-MP2 scheme enables us to treat large molecular systems in an accurate and efficient manner on a single GPU-server.« less

The aluminum ordering in aluminosilicates: a dipolar 27Al NMR spectroscopy study.

PubMed

Gee, Becky A

2004-01-01

The spatial ordering of aluminum atoms in CsAl(SiO3)2 and 3Al2O3.2SiO2 was probed by 27Al dipolar solid-state NMR spectroscopy. The 27Al response to a Hahn spin-echo pulse sequence in a series of aluminum-containing model crystalline compounds demonstrates that quantitative 27Al homonuclear dipolar second moments can be obtained to within +/-20% of the theoretical values, if evaluation of the spin-echo response curve is limited to short evolution periods (2t1 < or = 0.10 ms). Additionally, selective excitation of the central transition m = 1/2 --> -1/2 is necessary in order to ensure quantitative results. Restriction of spin exchange affecting the dephasing of the magnetization may decelerate the spin-echo decay at longer evolution periods. Considering these restraints, the method was used to probe the spatial distribution of aluminum atoms among the tetrahedral sites in two aluminosilicate materials. Experimental 27Al spin-echo response data for the aluminosilicates CsAl(SiO3)2 (synthetic pollucite) and 3Al2O3.2SiO2 (mullite) are compared with theoretical data based on (I) various degrees of aluminum-oxygen-aluminum bond formation among tetrahedrally coordinated aluminum atoms (Al(T(d) )-O-Al(T(d) )) and (II) the maximum avoidance of Al(T(d) )-O-Al(T(d) ) bonding. Analysis of the second moment values and resulting echo decay responses suggests that partial suppression of spin exchange among aluminum atoms in crystallographically distinct sites may contribute to the 27Al spin echo decay in 3Al2O3.2SiO2, thus complicating quantitative analysis of the data. Silicon-29 and aluminum-27 magic angle spinning (MAS) NMR spectra of 3Al2O3.2SiO2 are consistent with those previously reported. The experimental 27Al spin-echo response behavior of CsAl(SiO3)2 differs from the theoretical response behavior based on the maximum avoidance of Al-O-Al bonding between tetrahedral aluminum sites in CsAl(SiO3)2. A single unresolved resonance is observed in both the silicon-29 and aluminum-27 MAS spectra of CsAl(SiO3)2. Copyright 2003 John Wiley & Sons, Ltd.

Absence of Long-Range Order in a Triangular Spin System with Dipolar Interactions

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-05-01

The antiferromagnetic Heisenberg model on the triangular lattice is perhaps the best known example of frustrated magnets, but it orders at low temperatures. Recent density matrix renormalization group (DMRG) calculations find that the next nearest neighbor interaction J2 enhances the frustration, and it leads to a spin liquid for J2/J1∈(0.08 ,0.15 ). In addition, a DMRG study of a dipolar Heisenberg model with longer range interactions gives evidence for a spin liquid at a small dipole tilting angle θ ∈[0 ,1 0 ° ). In both cases, the putative spin liquid region appears to be small. Here, we show that for the triangular lattice dipolar Heisenberg model, a robust quantum paramagnetic phase exists in a surprisingly wide region, θ ∈[0 ,5 4 ° ) , for dipoles tilted along the lattice diagonal direction. We obtain the phase diagram of the model by functional renormalization group (RG), which treats all magnetic instabilities on equal footing. The quantum paramagnetic phase is characterized by a smooth continuous flow of vertex functions and spin susceptibility down to the lowest RG scale, in contrast to the apparent breakdown of RG flow in phases with stripe or spiral order. Our finding points to a promising direction to search for quantum spin liquids in ultracold dipolar molecules.

Optimizing Adiabaticity in a Trapped-Ion Quantum Simulator

NASA Astrophysics Data System (ADS)

Richerme, Phil; Senko, Crystal; Korenblit, Simcha; Smith, Jacob; Lee, Aaron; Monroe, Christopher

2013-05-01

Trapped-ion quantum simulators are a leading platform for the study of interacting spin systems, such as fully-connected Ising models with transverse and axial fields. Phonon-mediated spin-dependent optical dipole forces act globally on a linear chain of trapped Yb-171+ ions to generate the spin-spin couplings, with the form and range of such couplings controlled by laser frequencies and trap voltages. The spins are initially prepared along an effective transverse magnetic field, which is large compared to the Ising couplings and slowly ramped down during the quantum simulation. The system remains in the ground state throughout the evolution if the ramp is adiabatic, and the spin ordering is directly measured by state-dependent fluorescence imaging of the ions onto a camera. Two techniques can improve the identification of the ground state at the end of simulations that are unavoidably diabatic. First, we show an optimized ramp protocol that gives a maximal probability of measuring the true ground state given a finite ramp time. Second, we show that no spin ordering is more prevalent than the ground state(s), even for non-adiabatic ramps. This work is supported by grants from the U.S. Army Research Office with funding from the DARPA OLE program, IARPA, and the MURI program; and the NSF Physics Frontier Center at JQI.

Simulation of radiation energy release in air showers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glaser, Christian; Erdmann, Martin; Hörandel, Jörg R.

2016-09-01

A simulation study of the energy released by extensive air showers in the form of MHz radiation is performed using the CoREAS simulation code. We develop an efficient method to extract this radiation energy from air-shower simulations. We determine the longitudinal profile of the radiation energy release and compare it to the longitudinal profile of the energy deposit by the electromagnetic component of the air shower. We find that the radiation energy corrected for the geometric dependence of the geomagnetic emission scales quadratically with the energy in the electromagnetic component of the air shower with a second-order dependence on themore » atmospheric density at the position of the maximum shower development X {sub max}. In a measurement where X {sub max} is not accessible, this second order dependence can be approximated using the zenith angle of the incoming direction of the air shower with only a minor loss in accuracy. Our method results in an intrinsic uncertainty of 4% in the determination of the energy in the electromagnetic air-shower component, which is well below current experimental uncertainties.« less

Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

PubMed

Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2011-11-14

We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

Gravitational effective action at second order in curvature and gravitational waves

NASA Astrophysics Data System (ADS)

Calmet, Xavier; Capozziello, Salvatore; Pryer, Daniel

2017-09-01

We consider the full effective theory for quantum gravity at second order in curvature including non-local terms. We show that the theory contains two new degrees of freedom beyond the massless graviton: namely a massive spin-2 ghost and a massive scalar field. Furthermore, we show that it is impossible to fine-tune the parameters of the effective action to eliminate completely the classical spin-2 ghost because of the non-local terms in the effective action. Being a classical field, it is not clear anyway that this ghost is problematic. It simply implies a repulsive contribution to Newton's potential. We then consider how to extract the parameters of the effective action and show that it is possible to measure, at least in principle, the parameters of the local terms independently of each other using a combination of observations of gravitational waves and measurements performed by pendulum type experiments searching for deviations of Newton's potential.

NNLO QCD corrections to production of a spin-2 particle with nonuniversal couplings in the Drell-Yan process

NASA Astrophysics Data System (ADS)

Banerjee, Pulak; Dhani, Prasanna K.; Kumar, M. C.; Mathews, Prakash; Ravindran, V.

2018-05-01

We study the phenomenological impact of the interaction of spin-2 fields with those of the Standard Model in a model independent framework up to next-to-next-to-leading order in perturbative quantum chromodynamics. We use the invariant mass distribution of the pair of leptons produced at the Large Hadron Collider to demonstrate this. A minimal scenario where the spin-2 fields couple to two gauge invariant operators with different coupling strengths has been considered. These operators not being conserved show very different ultraviolet behavior increasing the searches options of spin-2 particles at the colliders. We find that our results using the higher order quantum corrections stabilize the predictions with respect to renormalization and factorization scales. We also find that corrections are appreciable which need to be taken into account in such searches at the colliders.

Sgr A* and general relativity

NASA Astrophysics Data System (ADS)

Johannsen, Tim

2016-06-01

General relativity has been widely tested in weak gravitational fields but still stands largely untested in the strong-field regime. According to the no-hair theorem, black holes in general relativity depend only on their masses and spins and are described by the Kerr metric. Mass and spin are the first two multipole moments of the Kerr spacetime and completely determine all higher-order moments. The no-hair theorem and, hence, general relativity can be tested by measuring potential deviations from the Kerr metric affecting such higher-order moments. Sagittarius A* (Sgr A*), the supermassive black hole at the center of the Milky Way, is a prime target for precision tests of general relativity with several experiments across the electromagnetic spectrum. First, near-infrared (NIR) monitoring of stars orbiting around Sgr A* with current and new instruments is expected to resolve their orbital precessions. Second, timing observations of radio pulsars near the Galactic center may detect characteristic residuals induced by the spin and quadrupole moment of Sgr A*. Third, the event horizon telescope, a global network of mm and sub-mm telescopes, aims to study Sgr A* on horizon scales and to image the silhouette of its shadow cast against the surrounding accretion flow using very-long baseline interferometric (VLBI) techniques. Both NIR and VLBI observations may also detect quasiperiodic variability of the emission from the accretion flow of Sgr A*. In this review, I discuss our current understanding of the spacetime of Sgr A* and the prospects of NIR, timing, and VLBI observations to test its Kerr nature in the near future.

First-Principles Evaluation of the Dzyaloshinskii-Moriya Interaction

NASA Astrophysics Data System (ADS)

Koretsune, Takashi; Kikuchi, Toru; Arita, Ryotaro

2018-04-01

We review recent developments of formulations to calculate the Dzyaloshinskii-Moriya (DM) interaction from first principles. In particular, we focus on three approaches. The first one evaluates the energy change due to the spin twisting by directly calculating the helical spin structure. The second one employs the spin gauge field technique to perform the derivative expansion with respect to the magnetic moment. This gives a clear picture that the DM interaction can be represented as the spin current in the equilibrium within the first order of the spin-orbit couplings. The third one is the perturbation expansion with respect to the exchange couplings and can be understood as the extension of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction to the noncentrosymmetric spin-orbit systems. By calculating the DM interaction for the typical chiral ferromagnets Mn1-xFexGe and Fe1-xCoxGe, we discuss how these approaches work in actual systems.

A state interaction spin-orbit coupling density matrix renormalization group method

NASA Astrophysics Data System (ADS)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2016-06-01

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe2S2(SCH3)4]3-, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.

Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model.

PubMed

Kao, Hsiu-Fen; Lo, Ikai; Chiang, Jih-Chen; Chen, Chun-Nan; Wang, Wan-Tsang; Hsu, Yu-Chi; Ren, Chung-Yuan; Lee, Meng-En; Wu, Chieh-Lung; Gau, Ming-Hong

2012-10-17

We develop a 16-band atomic bond-orbital model (16ABOM) to compute the spin splitting induced by bulk inversion asymmetry in zincblende materials. This model is derived from the linear combination of atomic-orbital (LCAO) scheme such that the characteristics of the real atomic orbitals can be preserved to calculate the spin splitting. The Hamiltonian of 16ABOM is based on a similarity transformation performed on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion k at the Γ point. The spin-splitting energies in bulk zincblende semiconductors, GaAs and InSb, are calculated, and the results agree with the LCAO and first-principles calculations. However, we find that the spin-orbit coupling between bonding and antibonding p-like states, evaluated by the 16ABOM, dominates the spin splitting of the lowest conduction bands in the zincblende materials.

Thermal properties of the mixed spin-1 and spin-3/2 Ising ferrimagnetic system with two different random single-ion anisotropies

NASA Astrophysics Data System (ADS)

Pereira, J. R. V.; Tunes, T. M.; de Arruda, A. S.; Godoy, M.

2018-06-01

In this work, we have performed Monte Carlo simulations to study a mixed spin-1 and spin-3/2 Ising ferrimagnetic system on a square lattice with two different random single-ion anisotropies. This lattice is divided in two interpenetrating sublattices with spins SA = 1 in the sublattice A and SB = 3 / 2 in the sublattice B. The exchange interaction between the spins on the sublattices is antiferromagnetic (J < 0). We used two random single-ion anisotropies, DiA and DjB , on the sublattices A and B, respectively. We have determined the phase diagram of the model in the critical temperature Tc versus strength of the random single-ion anisotropy D plane and we shown that it exhibits only second-order phase transition lines. We also shown that this system displays compensation temperatures for some cases of the random single-ion distribution.

Periastron shift for a spinning test particle around naked singularities

NASA Astrophysics Data System (ADS)

Mukherjee, Sajal

2018-06-01

In the present article, we investigate the Periastron precession for a spinning test particle moving in nearly circular orbits around naked singularities. We consider two well-known solutions that can produce a spacetime with naked singularity—(a) first, the Reissner-Nordström metric, which is a static charged solution with spherical symmetry, and (b) second, the stationary, axisymmetric Kerr metric. For simplicity, we only consider the motion confined on the equatorial plane in both these cases and solve exactly the Mathisson-Papapetrou equations. In addition, we analytically compute the Periastron precession within the framework of linear spin approximation. The inclusion of the spin parameter modifies the results with nonspinning particles and also reflects some interesting properties of the naked geometries. Furthermore, we carried out a numerical approach without any assumptions to probe the large order spin values. The implication of the spin-curvature coupling in connection with the naked geometries is also discussed.

Duality-mediated critical amplitude ratios for the (2 + 1)-dimensional S = 1XY model

NASA Astrophysics Data System (ADS)

Nishiyama, Yoshihiro

2017-09-01

The phase transition for the (2 + 1)-dimensional spin-S = 1XY model was investigated numerically. Because of the boson-vortex duality, the spin stiffness ρs in the ordered phase and the vortex-condensate stiffness ρv in the disordered phase should have a close relationship. We employed the exact diagonalization method, which yields the excitation gap directly. As a result, we estimate the amplitude ratios ρs,v/Δ (Δ: Mott insulator gap) by means of the scaling analyses for the finite-size cluster with N ≤ 22 spins. The ratio ρs/ρv admits a quantitative measure of deviation from selfduality.

Induction of novel macroscopic properties by local symmetry violations in spin-spiral multiferroics

NASA Astrophysics Data System (ADS)

Meier, D.; Leo, N.; Becker, P.; Bohaty, L.; Ramesh, R.; Fiebig, M.

2011-03-01

Incommensurate (IC) structures are omnipresent in strongly correlated electron systems as high-TC superconductors, CMR manganites, as well as multiferroics. In each case they are origin of a pronounced symmetry reduction reflecting the complexity of the underlying microscopic interactions. Macroscopically, this can lead to new phases and possibilities to gain control of the host material. Here we report how the IC nature of a spin-spiral multiferroic induces new physical properties by renormalizing the relevant length scales of the system. Local symmetry violations directly manifest in the macroscopic response of the material and co-determine the multiferroic order giving rise to additional domain states. These usually hidden degrees of freedom become visible when non-homogenous fields are applied and condition for instance the second harmonic generation. Our study shows that incommensurabilities play a vital role in the discussion of the physical properties of multiferroics -- they represent a key ingredient for further enhancing the functionality of this class of materials. This work was supported by the DFG through the SFB 608. D.M. thanks the AvH for financial support.

Bilinear magnetoelectric resistance as a probe of three-dimensional spin texture in topological surface states

NASA Astrophysics Data System (ADS)

He, Pan; Zhang, Steven S.-L.; Zhu, Dapeng; Liu, Yang; Wang, Yi; Yu, Jiawei; Vignale, Giovanni; Yang, Hyunsoo

2018-05-01

Surface states of three-dimensional topological insulators exhibit the phenomenon of spin-momentum locking, whereby the orientation of an electron spin is determined by its momentum. Probing the spin texture of these states is of critical importance for the realization of topological insulator devices, but the main technique currently available is spin- and angle-resolved photoemission spectroscopy. Here we reveal a close link between the spin texture and a new kind of magnetoresistance, which depends on the relative orientation of the current with respect to the magnetic field as well as the crystallographic axes, and scales linearly with both the applied electric and magnetic fields. This bilinear magnetoelectric resistance can be used to map the spin texture of topological surface states by simple transport measurements. For a prototypical Bi2Se3 single layer, we can map both the in-plane and out-of-plane components of the spin texture (the latter arising from hexagonal warping). Theoretical calculations suggest that the bilinear magnetoelectric resistance originates from conversion of a non-equilibrium spin current into a charge current under application of the external magnetic field.

Hidden Order and Symmetry Protected Topological States in Quantum Link Ladders

NASA Astrophysics Data System (ADS)

Cardarelli, L.; Greschner, S.; Santos, L.

2017-11-01

We show that, whereas spin-1 /2 one-dimensional U(1) quantum-link models (QLMs) are topologically trivial, when implemented in ladderlike lattices these models may present an intriguing ground-state phase diagram, which includes a symmetry protected topological (SPT) phase that may be readily revealed by analyzing long-range string spin correlations along the ladder legs. We propose a simple scheme for the realization of spin-1 /2 U(1) QLMs based on single-component fermions loaded in an optical lattice with s and p bands, showing that the SPT phase may be experimentally realized by adiabatic preparation.

139La and 63Cu NMR investigation of charge order in La2CuO4 +y (Tc=42 K)

NASA Astrophysics Data System (ADS)

Imai, T.; Lee, Y. S.

2018-03-01

We report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La2CuO4 +y single crystal with stage-4 excess oxygen order at Tstage≃290 K. We show that the stage-4 order induces tilting of CuO6 octahedra below Tstage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at Tcharge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La1.88Sr0.12CuO4 that sets in once the low-temperature tetragonal phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below Tcharge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO2 planes. This indicates that charge order in La2CuO4 +y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at Tspin(≃Tc ) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La1.885Sr0.115CuO4 [Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508 and Arsenault et al., Phys. Rev. B 97, 064511 (2018), 10.1103/PhysRevB.97.064511], but both charge and spin order take place more sharply in the present case.

Sharp peaks in the conductance of a double quantum dot and a quantum-dot spin valve at high temperatures: A hierarchical quantum master equation approach

NASA Astrophysics Data System (ADS)

Wenderoth, S.; Bätge, J.; Härtle, R.

2016-09-01

We study sharp peaks in the conductance-voltage characteristics of a double quantum dot and a quantum dot spin valve that are located around zero bias. The peaks share similarities with a Kondo peak but can be clearly distinguished, in particular as they occur at high temperatures. The underlying physical mechanism is a strong current suppression that is quenched in bias-voltage dependent ways by exchange interactions. Our theoretical results are based on the quantum master equation methodology, including the Born-Markov approximation and a numerically exact, hierarchical scheme, which we extend here to the spin-valve case. The comparison of exact and approximate results allows us to reveal the underlying physical mechanisms, the role of first-, second- and beyond-second-order processes and the robustness of the effect.

Statistics of spatial derivatives of velocity and pressure in turbulent channel flow

NASA Astrophysics Data System (ADS)

Vreman, A. W.; Kuerten, J. G. M.

2014-08-01

Statistical profiles of the first- and second-order spatial derivatives of velocity and pressure are reported for turbulent channel flow at Reτ = 590. The statistics were extracted from a high-resolution direct numerical simulation. To quantify the anisotropic behavior of fine-scale structures, the variances of the derivatives are compared with the theoretical values for isotropic turbulence. It is shown that appropriate combinations of first- and second-order velocity derivatives lead to (directional) viscous length scales without explicit occurrence of the viscosity in the definitions. To quantify the non-Gaussian and intermittent behavior of fine-scale structures, higher-order moments and probability density functions of spatial derivatives are reported. Absolute skewnesses and flatnesses of several spatial derivatives display high peaks in the near wall region. In the logarithmic and central regions of the channel flow, all first-order derivatives appear to be significantly more intermittent than in isotropic turbulence at the same Taylor Reynolds number. Since the nine variances of first-order velocity derivatives are the distinct elements of the turbulence dissipation, the budgets of these nine variances are shown, together with the budget of the turbulence dissipation. The comparison of the budgets in the near-wall region indicates that the normal derivative of the fluctuating streamwise velocity (∂u'/∂y) plays a more important role than other components of the fluctuating velocity gradient. The small-scale generation term formed by triple correlations of fluctuations of first-order velocity derivatives is analyzed. A typical mechanism of small-scale generation near the wall (around y+ = 1), the intensification of positive ∂u'/∂y by local strain fluctuation (compression in normal and stretching in spanwise direction), is illustrated and discussed.

Singularities in the lineshape of a second-order perturbed quadrupolar nucleus. The magic-angle spinning case.

PubMed

Field, Timothy R; Bain, Alex D

2014-01-01

For a nucleus with a half-integral spin and a strong quadrupole coupling, the central transition (from magnetic quantum number -1/2 to +1/2) in the spectrum shows a characteristic lineshape. By strong coupling, we mean an interaction strong enough so that second-order perturbation theory is needed, yet still sufficient. The spectrum of a static sample is well-known and the magic-angle-spinning (MAS spectrum) is different, but still can be calculated. The important features of both these spectra are singularities and steps in the lineshape, since these are the main tools in fitting the calculated spectrum to experimental data. A useful tool in this investigation is a plot of the frequency as a function of orientation over the surface of the unit sphere. These plots have maxima, minima and saddle points, and these correspond to the features of the spectrum. We used these plots to define both the positions and derive new formulae for the heights of the features and we now extend this to the magic-angle spinning case. For the first time, we identify the orientations corresponding to the features of the MAS spectra and derive formulae for the heights. We then compare the static and MAS cases and show the relationships between the features in the two spectra. Copyright © 2014 Elsevier Inc. All rights reserved.

Direct observation of spin-quadrupolar excitations in Sr2CoGe2O7 by high-field electron spin resonance

NASA Astrophysics Data System (ADS)

Akaki, Mitsuru; Yoshizawa, Daichi; Okutani, Akira; Kida, Takanori; Romhányi, Judit; Penc, Karlo; Hagiwara, Masayuki

2017-12-01

Exotic spin-multipolar ordering in spin transition metal insulators has so far eluded unambiguous experimental observation. A less studied, but perhaps more feasible fingerprint of multipole character emerges in the excitation spectrum in the form of quadrupolar transitions. Such multipolar excitations are desirable as they can be manipulated with the use of light or electric field and can be captured by means of conventional experimental techniques. Here we study single crystals of multiferroic Sr2CoGe2O7 and observe a two-magnon spin excitation appearing above the saturation magnetic field in electron spin resonance (ESR) spectra. Our analysis of the selection rules reveals that this spin excitation mode does not couple to the magnetic component of the light, but it is excited by the electric field only, in full agreement with the theoretical calculations. Due to the nearly isotropic nature of Sr2CoGe2O7 , we identify this excitation as a purely spin-quadrupolar two-magnon mode.

The effect of spin in swing bowling in cricket: model trajectories for spin alone

NASA Astrophysics Data System (ADS)

Robinson, Garry; Robinson, Ian

2015-02-01

In ‘swing’ bowling, as employed by fast and fast-medium bowlers in cricket, back-spin along the line of the seam is normally applied in order to keep the seam vertical and to provide stability against ‘wobble’ of the seam. Whilst spin is normally thought of as primarily being the slow bowler's domain, the spin applied by the swing bowler has the side-effect of generating a lift or Magnus force. This force, depending on the orientation of the seam and hence that of the back-spin, can have a side-ways component as well as the expected vertical ‘lift’ component. The effect of the spin itself, in influencing the trajectory of the fast bowler's delivery, is normally not considered, presumably being thought of as negligible. The purpose of this paper is to investigate, using calculated model trajectories, the amount of side-ways movement due to the spin and to see how this predicted movement compares with the total observed side-ways movement. The size of the vertical lift component is also estimated. It is found that, although the spin is an essential part of the successful swing bowler's delivery, the amount of side-ways movement due to the spin itself amounts to a few centimetres or so, and is therefore small, but perhaps not negligible, compared to the total amount of side-ways movement observed. The spin does, however, provide a considerable amount of lift compared to the equivalent delivery bowled without spin, altering the point of pitching by up to 3 m, a very large amount indeed. Thus, for example, bowling a ball with the seam pointing directly down the pitch and not designed to swing side-ways at all, but with the amount of back-spin varied, could provide a very powerful additional weapon in the fast bowler's arsenal. So-called ‘sling bowlers’, who use a very low arm action, can take advantage of spin since effectively they can apply side-spin to the ball, giving rise to a large side-ways movement, ˜ 20{}^\\circ cm or more, which certainly is significant. For a given amount of spin the amount of side-ways movement increases as the bowler's delivery arm becomes more horizontal. This technique could also be exploited by normal spin bowlers as well as swing bowlers.

Storing quantum information in spins and high-sensitivity ESR

NASA Astrophysics Data System (ADS)

Morton, John J. L.; Bertet, Patrice

2018-02-01

Quantum information, encoded within the states of quantum systems, represents a novel and rich form of information which has inspired new types of computers and communications systems. Many diverse electron spin systems have been studied with a view to storing quantum information, including molecular radicals, point defects and impurities in inorganic systems, and quantum dots in semiconductor devices. In these systems, spin coherence times can exceed seconds, single spins can be addressed through electrical and optical methods, and new spin systems with advantageous properties continue to be identified. Spin ensembles strongly coupled to microwave resonators can, in principle, be used to store the coherent states of single microwave photons, enabling so-called microwave quantum memories. We discuss key requirements in realising such memories, including considerations for superconducting resonators whose frequency can be tuned onto resonance with the spins. Finally, progress towards microwave quantum memories and other developments in the field of superconducting quantum devices are being used to push the limits of sensitivity of inductively-detected electron spin resonance. The state-of-the-art currently stands at around 65 spins per √{ Hz } , with prospects to scale down to even fewer spins.

Storing quantum information in spins and high-sensitivity ESR.

PubMed

Morton, John J L; Bertet, Patrice

2018-02-01

Quantum information, encoded within the states of quantum systems, represents a novel and rich form of information which has inspired new types of computers and communications systems. Many diverse electron spin systems have been studied with a view to storing quantum information, including molecular radicals, point defects and impurities in inorganic systems, and quantum dots in semiconductor devices. In these systems, spin coherence times can exceed seconds, single spins can be addressed through electrical and optical methods, and new spin systems with advantageous properties continue to be identified. Spin ensembles strongly coupled to microwave resonators can, in principle, be used to store the coherent states of single microwave photons, enabling so-called microwave quantum memories. We discuss key requirements in realising such memories, including considerations for superconducting resonators whose frequency can be tuned onto resonance with the spins. Finally, progress towards microwave quantum memories and other developments in the field of superconducting quantum devices are being used to push the limits of sensitivity of inductively-detected electron spin resonance. The state-of-the-art currently stands at around 65 spins per Hz, with prospects to scale down to even fewer spins. Copyright © 2017. Published by Elsevier Inc.

A multidisciplinary approach to the development of low-cost high-performance lightwave networks

NASA Technical Reports Server (NTRS)

Maitan, Jacek; Harwit, Alex

1991-01-01

Our research focuses on high-speed distributed systems. We anticipate that our results will allow the fabrication of low-cost networks employing multi-gigabit-per-second data links for space and military applications. The recent development of high-speed low-cost photonic components and new generations of microprocessors creates an opportunity to develop advanced large-scale distributed information systems. These systems currently involve hundreds of thousands of nodes and are made up of components and communications links that may fail during operation. In order to realize these systems, research is needed into technologies that foster adaptability and scaleability. Self-organizing mechanisms are needed to integrate a working fabric of large-scale distributed systems. The challenge is to fuse theory, technology, and development methodologies to construct a cost-effective, efficient, large-scale system.

Bond Dilution Effects on Bethe Lattice the Spin-1 Blume-Capel Model

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2017-09-01

The bond dilution effects are investigated for the spin-1 Blume-Capel model on the Bethe lattice by using the exact recursion relations. The bilinear interaction parameter is either turned on ferromagnetically with probability p or turned off with probability 1 - p between the nearest-neighbor spins. The thermal variations of the order-parameters are studied in detail to obtain the phase diagrams on the possible planes spanned by the temperature (T), probability (p) and crystal field (D) for the coordination numbers q = 3, 4, and 6. The lines of the second-order phase transitions, Tc-lines, combined with the first-order ones, Tt-lines, at the tricritical points (TCP) are always found for any p and q on the (T, D)-planes. It is also found that the model gives only Tc-lines, Tc-lines combined with the Tt-lines at the TCP’s and only Tt-lines with the consecutively decreasing values of D on the (T, p)-planes for all q.

Characterizing the ``Higgs'' amplitude mode in a Spin-1 Bose Einstein Condensate

NASA Astrophysics Data System (ADS)

Hebbe Madhusudhana, Bharath; Boguslawski, Matthew; Anquez, Martin; Robbins, Bryce; Barrios, Maryrose; Hoang, Thai; Chapman, Michael

2016-05-01

Spontaneous symmetry breaking in a physical system is often characterized by massless Nambu-Goldstone modes and massive Anderson-Higgs modes. It occurs when a system crosses a quantum critical point (QCP) reaching a state does not share the symmetry of the underlying Hamiltonian. In a spin-1 Bose Einstein condensate, the transverse spin component can be considered as an order parameter. A quantum phase transition (QPT) of this system results in breaking of the symmetry group U(1) × SO(2) shared by the Hamiltonian. As a result, two massless coupled phonon-magnon modes are produced along with a single massive mode or a Higgs-like mode, in the form of amplitude excitations of the order parameter. Here we characterize the amplitude excitations experimentally by inducing coherent oscillation in the spin population. We further use the amplitude oscillations to measure the energy gap for different phases of the QPT. At the QCP, finite size effects lead to a non-zero gap, and our measurements are consistent with this prediction.

Coherent control of diamond defects for quantum information science and quantum sensing

NASA Astrophysics Data System (ADS)

Maurer, Peter

Quantum mechanics, arguably one of the greatest achievements of modern physics, has not only fundamentally changed our understanding of nature but is also taking an ever increasing role in engineering. Today, the control of quantum systems has already had a far-reaching impact on time and frequency metrology. By gaining further control over a large variety of different quantum systems, many potential applications are emerging. Those applications range from the development of quantum sensors and new quantum metrological approaches to the realization of quantum information processors and quantum networks. Unfortunately most quantum systems are very fragile objects that require tremendous experimental effort to avoid dephasing. Being able to control the interaction between a quantum system with its local environment embodies therefore an important aspect for application and hence is at the focus of this thesis. Nitrogen Vacancy (NV) color centers in diamond have recently attracted attention as a room temperature solid state spin system that expresses long coherence times. The electronic spin associated with NV centers can be efficiently manipulated, initialized and readout using microwave and optical techniques. Inspired by these extraordinary properties, much effort has been dedicated to use NV centers as a building block for scalable room temperature quantum information processing and quantum communication as well as a quantum sensing. In the first part of this thesis we demonstrate that by decoupling the spin from the local environment the coherence time of a NV quantum register can be extended by three order of magnitudes. Employing a novel dissipative mechanism in combination with dynamical decoupling, memory times exceeding one second are observed. The second part shows that, based on quantum control, NV centers in nano-diamonds provide a nanoscale temperature sensor with unprecedented accuracy enabling local temperature measurements in living biological cells. This opens the door for the engineering of nano-scaled chemical reactions to the study of temperature dependent biological processes. Finally, a novel technique is introduced that facilitates optical spin detection with nanoscale resolution based on an optical far-field technique; by combining this with a 'quantum Zeno' like effect coherent manipulation of nominally identical spins at a nanoscale is achieved.

Local characterization of one-dimensional topologically ordered states

NASA Astrophysics Data System (ADS)

Cui, Jian; Amico, Luigi; Fan, Heng; Gu, Mile; Hamma, Alioscia; Vedral, Vlatko

2013-09-01

We consider one-dimensional Hamiltonian systems whose ground states display symmetry-protected topological order. We show that ground states within the topological phase cannot be connected with each other through local operations and classical communication between a bipartition of the system. Our claim is demonstrated by analyzing the entanglement spectrum and Rényi entropies of different physical systems that provide examples for symmetry-protected topological phases. Specifically, we consider the spin-1/2 cluster-Ising model and a class of spin-1 models undergoing quantum phase transitions to the Haldane phase. Our results provide a probe for symmetry-protected topological order. Since the picture holds even at the system's local scale, our analysis can serve as a local experimental test for topological order.

PREFACE: Spin Electronics

NASA Astrophysics Data System (ADS)

Dieny, B.; Sousa, R.; Prejbeanu, L.

2007-04-01

Conventional electronics has in the past ignored the spin on the electron, however things began to change in 1988 with the discovery of giant magnetoresistance in metallic thin film stacks which led to the development of a new research area, so called spin-electronics. In the last 10 years, spin-electronics has achieved a number of breakthroughs from the point of view of both basic science and application. Materials research has led to several major discoveries: very large tunnel magnetoresistance effects in tunnel junctions with crystalline barriers due to a new spin-filtering mechanism associated with the spin-dependent symmetry of the electron wave functions new magnetic tunnelling barriers leading to spin-dependent tunnelling barrier heights and acting as spin-filters magnetic semiconductors with increasingly high ordering temperature. New phenomena have been predicted and observed: the possibility of acting on the magnetization of a magnetic nanostructure with a spin-polarized current. This effect, due to a transfer of angular momentum between the spin polarized conduction electrons and the local magnetization, can be viewed as the reciprocal of giant or tunnel magnetoresistance. It can be used to switch the magnetization of a magnetic nanostructure or to generate steady magnetic excitations in the system. the possibility of generating and manipulating spin current without charge current by creating non-equilibrium local accumulation of spin up or spin down electrons. The range of applications of spin electronics materials and phenomena is expanding: the first devices based on giant magnetoresistance were the magnetoresistive read-heads for computer disk drives. These heads, introduced in 1998 with current-in plane spin-valves, have evolved towards low resistance tunnel magnetoresistice heads in 2005. Besides magnetic recording technology, these very sensitive magnetoresistive sensors are finding applications in other areas, in particular in biology. magnetic tunnel junctions were introduced as memory elements in new types of non-volatile magnetic memories (MRAM). A first 4Mbit product was launched by Freescale in July 2006. Future generations of memories are being developed by academic groups or companies. the combination of magnetic elements with CMOS components opens a whole new paradigm in hybrid electronic components which can change the common conception of the architecture of complex electronic components with a much tighter integration of logic and memory. the steady magnetic excitations stimulated by spin-transfer might be used in a variety of microwave components provided the output power can be increased. Intense research and development efforts are being aimed at increasing this power by the synchronization of oscillators. The articles compiled in this special issue of Journal of Physics: Condensed Matter, devoted to spin electronics, review these recent developments. All the contributors are greatly acknowledged.

Nuclear magnetic resonance studies of pseudospin fluctuations in URu 2 Si 2

DOE PAGES

Shirer, K. R.; Haraldsen, J. T.; Dioguardi, A. P.; ...

2013-09-26

Here, we report 29Si nuclear magnetic resonance measurements in single crystals and aligned powders of URu 2Si 2 in the hidden order and paramagnetic phases. The spin-lattice relaxation data reveal evidence of pseudospin fluctuations of U moments in the paramagnetic phase. We find evidence for partial suppression of the density of states below 30 K and analyze the data in terms of a two-component spin-fermion model. We propose that this behavior is a realization of a pseudogap between the hidden-order transition T HO and 30 K. This behavior is then compared to other materials that demonstrate precursor fluctuations in amore » pseudogap regime above a ground state with long-range order.« less

Electron spin relaxation in a transition-metal dichalcogenide quantum dot

NASA Astrophysics Data System (ADS)

Pearce, Alexander J.; Burkard, Guido

2017-06-01

We study the relaxation of a single electron spin in a circular quantum dot in a transition-metal dichalcogenide monolayer defined by electrostatic gating. Transition-metal dichalcogenides provide an interesting and promising arena for quantum dot nano-structures due to the combination of a band gap, spin-valley physics and strong spin-orbit coupling. First we will discuss which bound state solutions in different B-field regimes can be used as the basis for qubits states. We find that at low B-fields combined spin-valley Kramers qubits to be suitable, while at large magnetic fields pure spin or valley qubits can be envisioned. Then we present a discussion of the relaxation of a single electron spin mediated by electron-phonon interaction via various different relaxation channels. In the low B-field regime we consider the spin-valley Kramers qubits and include impurity mediated valley mixing which will arise in disordered quantum dots. Rashba spin-orbit admixture mechanisms allow for relaxation by in-plane phonons either via the deformation potential or by piezoelectric coupling, additionally direct spin-phonon mechanisms involving out-of-plane phonons give rise to relaxation. We find that the relaxation rates scale as \\propto B 6 for both in-plane phonons coupling via deformation potential and the piezoelectric effect, while relaxation due to the direct spin-phonon coupling scales independant to B-field to lowest order but depends strongly on device mechanical tension. We will also discuss the relaxation mechanisms for pure spin or valley qubits formed in the large B-field regime.

Spin density wave instability in a ferromagnet.

PubMed

Wu, Yan; Ning, Zhenhua; Cao, Huibo; Cao, Guixin; Benavides, Katherine A; Karna, S; McCandless, Gregory T; Jin, R; Chan, Julia Y; Shelton, W A; DiTusa, J F

2018-03-27

Due to its cooperative nature, magnetic ordering involves a complex interplay between spin, charge, and lattice degrees of freedom, which can lead to strong competition between magnetic states. Binary Fe 3 Ga 4 is one such material that exhibits competing orders having a ferromagnetic (FM) ground state, an antiferromagnetic (AFM) behavior at intermediate temperatures, and a conspicuous re-entrance of the FM state at high temperature. Through a combination of neutron diffraction experiments and simulations, we have discovered that the AFM state is an incommensurate spin-density wave (ISDW) ordering generated by nesting in the spin polarized Fermi surface. These two magnetic states, FM and ISDW, are seldom observed in the same material without application of a polarizing magnetic field. To date, this unusual mechanism has never been observed and its elemental origins could have far reaching implications in many other magnetic systems that contain strong competition between these types of magnetic order. Furthermore, the competition between magnetic states results in a susceptibility to external perturbations allowing the magnetic transitions in Fe 3 Ga 4 to be controlled via temperature, magnetic field, disorder, and pressure. Thus, Fe 3 Ga 4 has potential for application in novel magnetic memory devices, such as the magnetic components of tunneling magnetoresistance spintronics devices.

Free-Spinning Tunnel Tests of a 1/24-Scale Model of the Grumman XTB3F-1 Airplane, TED No. NACA DE304

NASA Technical Reports Server (NTRS)

Berman, Theodore

1947-01-01

In accordance with a request of the Bureau of Aeronautics, Navy Department, tests were performed in the Langley 20-foot free-spinning tunnel to determine the spin and recovery characteristics of a 1/24 scale model of the Grumman XTB3F-1 airplane. The airplane is a two-place, midwing torpedo bomber equipped with a tractor propeller and an auxiliary jet engine. The effect of control setting and movement on the erect and inverted spin and recovery characteristics of the model were determined for the normal loading. Brief tests with mass extended slightly along the fuselage were also made, however, in order to determine the effect of such a mass variation on elevator effectiveness. Tests were performed to determine the size of emergency spin-recovery tail and wing-tip parachutes required for satisfactory recovery by parachute action alone. The investigation also included emergency pilot-escape tests and tests to determine the rudder pedal and elevator stick forces necessary to move the rudder and elevator for recovery.

Second-order schedules: discrimination of components1

PubMed Central

Squires, Nancy; Norborg, James; Fantino, Edmund

1975-01-01

Pigeons were exposed to a series of second-order schedules in which the completion of a fixed number of fixed-interval components produced food. In Experiment 1, brief (2 sec) stimulus presentations occurred as each fixed-interval component was completed. During the brief-stimulus presentation terminating the last fixed-interval component, a response was required on a second key, the brief-stimulus key, to produce food. Responses on the brief-stimulus key before the last brief-stimulus presentation had no scheduled consequences, but served as a measure of the extent to which the final component was discriminated from preceding components. Whether there were one, two, four, or eight fixed-interval components, responses on the brief-stimulus key occurred during virtually every brief-stimulus presentation. In Experiment 2, an attempt was made to punish unnecessary responses on the brief-stimulus key, i.e., responses on the brief-stimulus key that occurred before the last component. None of the pigeons learned to withhold these responses, even though they produced a 15-sec timeout and loss of primary reinforcement. In Experiment 3, different key colors were associated with each component of a second-order schedule (a chain schedule). In contrast to Experiment 1, brief-stimulus key responses were confined to the last component. It was concluded that pigeons do not discriminate well between components of second-order schedules unless a unique exteroceptive cue is provided for each component. The relative discriminability of the components may account for the observed differences in initial-component response rates between comparable brief-stimulus, tandem, and chain schedules. PMID:16811868

Molecules in high spin states III: The millimeter/submillimeter-wave spectrum of the MnCl radical (X 7Σ+)

NASA Astrophysics Data System (ADS)

Halfen, D. T.; Ziurys, L. M.

2005-02-01

The pure rotational spectrum of the MnCl radical (X 7Σ+) has been recorded in the range 141-535 GHz using millimeter-submillimeter direct absorption spectroscopy. This work is the first time the molecule has been studied with rotational resolution in its ground electronic state. MnCl was synthesized by the reaction of manganese vapor, produced in a Broida-type oven, with Cl2. Transitions of both chlorine isotopomers were measured, as well as lines originating in several vibrationally excited states. The presence of several spin components and manganese hyperfine interactions resulted in quite complex spectra, consisting of multiple blended features. Because 42 rotational transitions were measured for Mn35Cl over a wide range of frequencies with high signal-to-noise, a very accurate set of rotational, fine structure, and hyperfine constants could be determined with the aid of spectral simulations. Spectroscopic constants were also determined for Mn37Cl and several vibrationally excited states. The values of the spin-rotation and spin-spin parameters were found to be relatively small (γ=11.2658 MHz and λ=1113.10 MHz for Mn35Cl); in the case of λ, excited electronic states contributing to the second-order spin-orbit interaction may be canceling each other. The Fermi contact hyperfine term was found to be large in manganese chloride with bF(Mn35Cl)=397.71 MHz, a result of the manganese 4s character mixing into the 12σ orbital. This orbital is spσ hybridized, and contains some Mn 4pσ character, as well. Hence, it also contributes to the dipolar constant c, which is small and positive for this radical (c=32.35 MHz for Mn35Cl). The hyperfine parameters in MnCl are similar to those of MnH and MnF, suggesting that the bonding in these three molecules is comparable.

Molecules in high spin states III: the millimeter/submillimeter-wave spectrum of the MnCl radical (X (7)Sigma(+)).

PubMed

Halfen, D T; Ziurys, L M

2005-02-01

The pure rotational spectrum of the MnCl radical (X (7)Sigma(+)) has been recorded in the range 141-535 GHz using millimeter-submillimeter direct absorption spectroscopy. This work is the first time the molecule has been studied with rotational resolution in its ground electronic state. MnCl was synthesized by the reaction of manganese vapor, produced in a Broida-type oven, with Cl(2). Transitions of both chlorine isotopomers were measured, as well as lines originating in several vibrationally excited states. The presence of several spin components and manganese hyperfine interactions resulted in quite complex spectra, consisting of multiple blended features. Because 42 rotational transitions were measured for Mn(35)Cl over a wide range of frequencies with high signal-to-noise, a very accurate set of rotational, fine structure, and hyperfine constants could be determined with the aid of spectral simulations. Spectroscopic constants were also determined for Mn(37)Cl and several vibrationally excited states. The values of the spin-rotation and spin-spin parameters were found to be relatively small (gamma=11.2658 MHz and lambda=1113.10 MHz for Mn(35)Cl); in the case of lambda, excited electronic states contributing to the second-order spin-orbit interaction may be canceling each other. The Fermi contact hyperfine term was found to be large in manganese chloride with b(F)(Mn(35)Cl)=397.71 MHz, a result of the manganese 4s character mixing into the 12sigma orbital. This orbital is spsigma hybridized, and contains some Mn 4psigma character, as well. Hence, it also contributes to the dipolar constant c, which is small and positive for this radical (c=32.35 MHz for Mn(35)Cl). The hyperfine parameters in MnCl are similar to those of MnH and MnF, suggesting that the bonding in these three molecules is comparable.

Neutron scattering study of spin ordering and stripe pinning in superconducting La 1.93 Sr 0.07 CuO 4

DOE PAGES

Jacobsen, H.; Zaliznyak, I. A.; Savici, A. T.; ...

2015-11-20

Tmore » he relationships among charge order, spin fluctuations, and superconductivity in underdoped cuprates remain controversial. We use neutron scattering techniques to study these phenomena in La 1.93 Sr 0.07 CuO 4 a superconductor with a transition temperature of c = 20 K. At << c, we find incommensurate spin fluctuations with a quasielastic energy spectrum and no sign of a gap within the energy range from 0.2 to 15 meV. A weak elastic magnetic component grows below ~ 10 K, consistent with results from local probes. Regarding the atomic lattice, we have discovered unexpectedly strong fluctuations of the CuO 6 octahedra about Cu-O bonds, which are associated with inequivalent O sites within the CuO 2 planes. Moreover, we observed a weak elastic (3 ⁻30) superlattice peak that implies a reduced lattice symmetry. he presence of inequivalent O sites rationalizes various pieces of evidence for charge stripe order in underdoped La 2-xSr xCuO 4. he coexistence of superconductivity with quasi-static spin-stripe order suggests the presence of intertwined orders; however, the rotation of the stripe orientation away from the Cu-O bonds might be connected with evidence for a finite gap at the nodal points of the superconducting gap function.« less

Neutron scattering study of spin ordering and stripe pinning in superconducting La 1.93 Sr 0.07 CuO 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobsen, H.; Zaliznyak, I. A.; Savici, A. T.

Tmore » he relationships among charge order, spin fluctuations, and superconductivity in underdoped cuprates remain controversial. We use neutron scattering techniques to study these phenomena in La 1.93 Sr 0.07 CuO 4 a superconductor with a transition temperature of c = 20 K. At << c, we find incommensurate spin fluctuations with a quasielastic energy spectrum and no sign of a gap within the energy range from 0.2 to 15 meV. A weak elastic magnetic component grows below ~ 10 K, consistent with results from local probes. Regarding the atomic lattice, we have discovered unexpectedly strong fluctuations of the CuO 6 octahedra about Cu-O bonds, which are associated with inequivalent O sites within the CuO 2 planes. Moreover, we observed a weak elastic (3 ⁻30) superlattice peak that implies a reduced lattice symmetry. he presence of inequivalent O sites rationalizes various pieces of evidence for charge stripe order in underdoped La 2-xSr xCuO 4. he coexistence of superconductivity with quasi-static spin-stripe order suggests the presence of intertwined orders; however, the rotation of the stripe orientation away from the Cu-O bonds might be connected with evidence for a finite gap at the nodal points of the superconducting gap function.« less

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd 2Re 2O 7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harter, J. W.; Zhao, Z. Y.; Yan, J. -Q.

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd 2Re 2O 7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of themore » multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd 2Re 2O 7 and induces a parity-breaking lattice distortion as a secondary order.« less

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd2Re2O7

NASA Astrophysics Data System (ADS)

Harter, J. W.; Zhao, Z. Y.; Yan, J.-Q.; Mandrus, D. G.; Hsieh, D.

2017-04-01

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd2Re2O7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of the multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd2Re2O7 and induces a parity-breaking lattice distortion as a secondary order.

A parity-breaking electronic nematic phase transition in the spin-orbit coupled metal Cd 2Re 2O 7

DOE PAGES

Harter, J. W.; Zhao, Z. Y.; Yan, J. -Q.; ...

2017-04-21

Strong electron interactions can drive metallic systems toward a variety of well-known symmetry-broken phases, but the instabilities of correlated metals with strong spin-orbit coupling have only recently begun to be explored. We uncovered a multipolar nematic phase of matter in the metallic pyrochlore Cd 2Re 2O 7 using spatially resolved second-harmonic optical anisotropy measurements. Like previously discovered electronic nematic phases, this multipolar phase spontaneously breaks rotational symmetry while preserving translational invariance. However, it has the distinguishing property of being odd under spatial inversion, which is allowed only in the presence of spin-orbit coupling. By examining the critical behavior of themore » multipolar nematic order parameter, we show that it drives the thermal phase transition near 200 kelvin in Cd 2Re 2O 7 and induces a parity-breaking lattice distortion as a secondary order.« less

Near-Earth asteroid satellite spins under spin-orbit coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naidu, Shantanu P.; Margot, Jean-Luc

We develop a fourth-order numerical integrator to simulate the coupled spin and orbital motions of two rigid bodies having arbitrary mass distributions under the influence of their mutual gravitational potential. We simulate the dynamics of components in well-characterized binary and triple near-Earth asteroid systems and use surface of section plots to map the possible spin configurations of the satellites. For asynchronous satellites, the analysis reveals large regions of phase space where the spin state of the satellite is chaotic. For synchronous satellites, we show that libration amplitudes can reach detectable values even for moderately elongated shapes. The presence of chaoticmore » regions in the phase space has important consequences for the evolution of binary asteroids. It may substantially increase spin synchronization timescales, explain the observed fraction of asychronous binaries, delay BYORP-type evolution, and extend the lifetime of binaries. The variations in spin rate due to large librations also affect the analysis and interpretation of light curve and radar observations.« less

Unconventional Bose—Einstein Condensations from Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Wu, Cong-Jun; Ian, Mondragon-Shem; Zhou, Xiang-Fa

2011-09-01

According to the “no-node" theorem, the many-body ground state wavefunctions of conventional Bose—Einstein condensations (BEC) are positive-definite, thus time-reversal symmetry cannot be spontaneously broken. We find that multi-component bosons with spin-orbit coupling provide an unconventional type of BECs beyond this paradigm. We focus on a subtle case of isotropic Rashba spin-orbit coupling and the spin-independent interaction. In the limit of the weak confining potential, the condensate wavefunctions are frustrated at the Hartree—Fock level due to the degeneracy of the Rashba ring. Quantum zero-point energy selects the spin-spiral type condensate through the “order-from-disorder" mechanism. In a strong harmonic confining trap, the condensate spontaneously generates a half-quantum vortex combined with the skyrmion type of spin texture. In both cases, time-reversal symmetry is spontaneously broken. These phenomena can be realized in both cold atom systems with artificial spin-orbit couplings generated from atom-laser interactions and exciton condensates in semi-conductor systems.

Nuclear spin relaxation in ligands outside of the first coordination sphere in a gadolinium (III) complex: Effects of intermolecular forces

NASA Astrophysics Data System (ADS)

Kruk, Danuta; Kowalewski, Jozef

2002-07-01

This article describes paramagnetic relaxation enhancement (PRE) in systems with high electron spin, S, where there is molecular interaction between a paramagnetic ion and a ligand outside of the first coordination sphere. The new feature of our treatment is an improved handling of the electron-spin relaxation, making use of the Redfield theory. Following a common approach, a well-defined second coordination sphere is assumed, and the PRE contribution from these more distant and shorter-lived ligands is treated in a way similar to that used for the first coordination sphere. This model is called "ordered second sphere," OSS. In addition, we develop here a formalism similar to that of Hwang and Freed [J. Chem. Phys. 63, 4017 (1975)], but accounting for the electron-spin relaxation effects. We denote this formalism "diffuse second sphere," DSS. The description of the dynamics of the intermolecular dipole-dipole interaction is based on the Smoluchowski equation, with a potential of mean force related to the radial distribution function. We have used a finite-difference method to calculate numerically a correlation function for translational motion, taking into account the intermolecular forces leading to an arbitrary radial distribution of the ligand protons. The OSS and DSS models, including the Redfield description of the electron-spin relaxation, were used to interpret the PRE in an aqueous solution of a slowly rotating gadolinium (III) complex (S=7/2) bound to a protein.

Mesoscopic spin Hall effect in semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Zarbo, Liviu

The spin Hall effect (SHE) is a name given to a collection of diverse phenomena which share two principal features: (i) longitudinal electric current flowing through a paramagnetic semiconductor or metallic sample leads to transverse spin current and spin accumulation of opposite sign at opposing lateral edges; (ii) SHE does not require externally applied magnetic field or magnetic ordering in the equilibrium state of the sample, instead it relies on the presence of spin-orbit (SO) couplings within the sample. This thesis elaborates on a new type of phenomenon within the SHE family, predicted in our recent studies [Phys. Rev. B 72, 075361 (2005); Phys. Rev. Lett. 95, 046601 (2005); Phys. Rev. B 72, 075335 (2005); Phys. Rev. B 73 , 075303 (2006); and Europhys. Lett. 77, 47004 (2007)], where pure spin current flows through the transverse electrodes attached to a clean finitesize two-dimensional electron gas (2DEG) due to unpolarized charge current injected through its longitudinal leads. If transverse leads are removed, the effect manifests as nonequilibrium spin Hall accumulation at the lateral edges of 2DEG wires. The SO coupling driving this SHE effect is of the Rashba type, which arises due to structural inversion asymmetry of semiconductor heterostructure hosting the 2DEG. We term the effect "mesoscopic" because the spin Hall currents and accumulations reach optimal value in samples of the size of the spin precession length---the distance over which the spin of an electron precesses by an angle pi. In strongly SO-coupled structures this scale is of the order of ˜100 nm, and, therefore, mesoscopic in the sense of being much larger than the characteristic microscopic scales (such as the Fermi wavelength, screening length, or the mean free path in disordered systems), but still much smaller than the macroscopic ones. Although the first theoretical proposal for SHE, driven by asymmetry in SO-dependent scattering of spin-up and spin-down electrons off impurities, appeared in 1970s, it is only in the past few years that advances in optical detection of nonequilibrium magnetization in semiconductors have made possible the detection of such extrinsic SHE in groundbreaking experiments. The experimental pursuits of SHE have, in fact, been largely motivated by very recent theoretical speculations for several order of magnitude greater spin Hall currents driven by intrinsic SO mechanisms due to SO couplings existing not only around the impurity but also throughout the sample. The homogeneous intrinsic SO couplings are capable of spin-splitting the band structure and appear as momentum-dependent magnetic field within the sample which causes spin non-conservation due to precession of injected spins which are not in the eigenstates of the corresponding Zeeman term. Besides deepening our understanding of subtle relativistic effects in solids, SHE has attracted a lot of attention since it offers an all-electrical way of generating pure spin currents in semiconductors. (Abstract shortened by UMI.)

Recoiling from a Kick in the Head-On Case

NASA Technical Reports Server (NTRS)

Choi, Dae-Il; Kelly, Bernard J.; Boggs, William D.; Baker, John G.; Centrella, Joan; Van Meter, James

2007-01-01

Recoil "kicks" induced by gravitational radiation are expected in the inspiral and merger of black holes. Recently the numerical relativity community has begun to measure the significant kicks found when both unequal masses and spins are considered. Because understanding the cause and magnitude of each component of this kick may be complicated in inspiral simulations, we consider these effects in the context of a simple test problem. We study recoils from collisions of binaries with initially head-on trajectories, starting with the simplest case of equal masses with no spin; adding spin and varying the mass ratio, both separately and jointly. We find spin-induced recoils to be significant even in head-on configurations. Additionally, it appears that the scaling of transverse kicks with spins is consistent with post-Newtonian (PN) theory, even though the kick is generated in the nonlinear merger interaction, where PN theory should not apply. This suggests that a simple heuristic description might be effective in the estimation of spin-kicks.

Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

PubMed

Seino, Junji; Nakai, Hiromi

2012-10-14

The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

53Cr NMR study of CuCrO2 multiferroic

NASA Astrophysics Data System (ADS)

Smol'nikov, A. G.; Ogloblichev, V. V.; Verkhovskii, S. V.; Mikhalev, K. N.; Yakubovskii, A. Yu.; Kumagai, K.; Furukawa, Y.; Sadykov, A. F.; Piskunov, Yu. V.; Gerashchenko, A. P.; Barilo, S. N.; Shiryaev, S. V.

2015-11-01

The magnetically ordered phase of the CuCrO2 single crystal has been studied by the nuclear magnetic resonance (NMR) method on 53Cr nuclei in the absence of an external magnetic field. The 53Cr NMR spectrum is observed in the frequency range νres = 61-66 MHz. The shape of the spectrum depends on the delay tdel between pulses in the pulse sequence τπ/2- t del-τπ- t del-echo. The spin-spin and spin-lattice relaxation times have been measured. Components of the electric field gradient, hyperfine fields, and the magnetic moment on chromium atoms have been estimated.

Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling.

PubMed

Cui, Q; Cheng, J-G; Fan, W; Taylor, A E; Calder, S; McGuire, M A; Yan, J-Q; Meyers, D; Li, X; Cai, Y Q; Jiao, Y Y; Choi, Y; Haskel, D; Gotou, H; Uwatoko, Y; Chakhalian, J; Christianson, A D; Yunoki, S; Goodenough, J B; Zhou, J-S

2016-10-21

The perovskite SrIrO_{3} is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn^{4+} for Ir^{4+} in the SrIr_{1-x}Sn_{x}O_{3} perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T_{N}≥225  K. The continuous change of the cell volume as detected by x-ray diffraction and the λ-shape transition of the specific heat on cooling through T_{N} demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below T_{N}. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. A reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T_{N} in the same way as proposed by Slater.

Simulating dispersion in porous media and the influence of segmentation on stagnancy in carbonates

NASA Astrophysics Data System (ADS)

Gray, F.; Cen, J.; Shah, S. M.; Crawshaw, J. P.; Boek, E. S.

2016-11-01

Understanding the transport of chemical components in porous media is fundamentally important to many reservoir processes such as contaminant transport and reactive flows involved in CO2 sequestration. Carbonate rocks in particular present difficulties for pore-scale simulations because they contain large amounts of sub-micron porosity. In this work, we introduce a new hybrid simulation model to calculate hydrodynamic dispersion in pore-scale images of real porous media and use this to elucidate the origins and behaviour of stagnant zones arising in transport simulations using micro-CT images of carbonates. For this purpose a stochastic particle model for simulating the transport of a solute is coupled to a Lattice-Boltzmann algorithm to calculate the flow field. The particle method incorporates second order spatial and temporal resolution to resolve finer features of the domain. We demonstrate how dispersion coefficients can be accurately obtained in capillaries, where corresponding analytical solutions are available, even when these are resolved to just a few lattice units. Then we compute molecular displacement distributions for pore-spaces of varying complexity: a pack of beads; a Bentheimer sandstone; and a Portland carbonate. Our calculated propagator distributions are compared directly with recent experimental PFG-NMR propagator distributions (Scheven et al., 2005; Mitchell et al., 2008), the latter excluding spin relaxation mechanisms. We observe that the calculated transport propagators can be quantitatively compared with the experimental distribution, provided that spin relaxations in the experiment are excluded, and good agreement is found for both the sandstone and the carbonate. However, due to the absence of explicit micro-porosity from the carbonate pore space image used for flow field simulations we note that there are fundamental differences in the physical origins of the stagnant zones for micro-porous rocks between simulation and experiment. We show that for a given micro-CT image of a carbonate, small variations in the parameters chosen for the segmentation process lead to different amounts of stagnancy which diffuse away at different rates. Finally, we use a filtering method to show that this is due to the presence of spurious isolated pores which arise from the segmentation process and suggest an approach to overcome this limitation.

Nonlinear structure formation in flat cosmological models

NASA Technical Reports Server (NTRS)

Martel, Hugo

1995-01-01

This paper describes the formation of nonlinear structure in flat (zero curvature) Friedmann cosmological models. We consider models with two components: the usual nonrelativistic component that evolves under gravity and eventually forms the large-scale structure of the universe, and a uniform dark matter component that does not clump under gravity, and whose energy density varies with the scale factor a(t) like a(t)(sup -n), where n is a free parameter. Each model is characterized by two parameters: the exponent n and the present density parameter Omega(sub 0) of the nonrelativistic component. The linear perturbation equations are derived and solved for these models, for the three different cases n = 3, n is greater than 3, and n is less than 3. The case n = 3 is relevant to model with massive neutrinos. The presence of the uniform component strongly reduces the growth of the perturbation compared with the Einstein-de Sitter model. We show that the Meszaros effect (suppression of growth at high redshift) holds not only for n = 4, radiation-dominated models, but for all models with n is greater than 3. This essentially rules out any such model. For the case n is less than 3, we numerically integrate the perturbation equations from the big bang to the present, for 620 different models with various values of Omega(sub 0) and n. Using these solutions, we show that the function f(Omega(sub 0), n) = (a/delta(sub +))d(delta)(sub +)/da, which enters in the relationship between the present density contrast delta(sub 0) and peculiar velocity field u(sub 0) is essentially independent of n. We derive approximate solutions for the second-order perturbation equations. These second-order solutions are tested against the exact solutions and the Zel'dovich approximation for spherically symmetric perturbations in the marginally nonlinear regime (the absolute value of delta is less than or approximately 1). The second-order and Zel'dovich solutions have comparable accuracy, significantly higher than the accuracy of the linear solutions. We then investigate the dependence of the delta(sub 0) - u(sub 0) relationship upon the value of n in the nonlinear regime using the second-order solutions for marginally nonlinear, general perturbations, and the exact solutions for strongly nonlinear, spherically symmetric perturbations. In both cases, we find that the delta(sub 0) - u(sub 0) relationship remains independent of n. We speculate that this result extends to strongly nonlinear, general perturbations as well. This eliminates any hope to determine the presence of the uniform component or the value of n using dynamical methods. Finally, we compute the nonlinear evolution of the skewness of the distribution of values of delta, assuming Gaussian initial conditions. We find that the skewness is not only independent of n, but also of Omega(sub 0). Thus the skewness cannot be used to discriminate among various models with Gaussian initial conditions. However, it can be used for testing the Gaussianity of the initial conditions themselves. We conclude that the uniform component leaves no observable signature in the present large-scale structure of the universe. To determine its presence and nature, we must investigate the relationship between the past and present universe, using redshift-dependent tests.

Spin-Up in a Rectangular Cylinder

DTIC Science & Technology

1993-12-01

BEST QUALITY AVAILABLE. THE COPY FURNISHED TO DTIC CONTAINED A SIGNIFICANT NUMBER OF COLOR PAGES WHICH DO NOT REPRODUCE LEGIBLY ON BLACK AND WRITE ...cylinder by scaling as follows: I I IElt , and p = E’,X, 3.22 where we have scaled the radial and vertical flow to be higher order in Ekman number than the

Second-moment budgets in cloud topped boundary layers: A large-eddy simulation study

NASA Astrophysics Data System (ADS)

Heinze, Rieke; Mironov, Dmitrii; Raasch, Siegfried

2015-06-01

A detailed analysis of second-order moment budgets for cloud topped boundary layers (CTBLs) is performed using high-resolution large-eddy simulation (LES). Two CTBLs are simulated—one with trade wind shallow cumuli, and the other with nocturnal marine stratocumuli. Approximations to the ensemble-mean budgets of the Reynolds-stress components, of the fluxes of two quasi-conservative scalars, and of the scalar variances and covariance are computed by averaging the LES data over horizontal planes and over several hundred time steps. Importantly, the subgrid scale contributions to the budget terms are accounted for. Analysis of the LES-based second-moment budgets reveals, among other things, a paramount importance of the pressure scrambling terms in the Reynolds-stress and scalar-flux budgets. The pressure-strain correlation tends to evenly redistribute kinetic energy between the components, leading to the growth of horizontal-velocity variances at the expense of the vertical-velocity variance which is produced by buoyancy over most of both CTBLs. The pressure gradient-scalar covariances are the major sink terms in the budgets of scalar fluxes. The third-order transport proves to be of secondary importance in the scalar-flux budgets. However, it plays a key role in maintaining budgets of TKE and of the scalar variances and covariance. Results from the second-moment budget analysis suggest that the accuracy of description of the CTBL structure within the second-order closure framework strongly depends on the fidelity of parameterizations of the pressure scrambling terms in the flux budgets and of the third-order transport terms in the variance budgets. This article was corrected on 26 JUN 2015. See the end of the full text for details.

[Comparative assessment of prolonged femoral nerve blockade and epidural analgesia for postoperative pain in total knee joint arthroplasty].

PubMed

Churadze, B T; Sevalkin, S A; Zadorozhnyĭ, M V; Volkov, P A; Gur'ianov, V A

2013-01-01

The study deals with two mostly discussed techniques of postoperative analgesia for total knee joint arthroplasty. Surgeries were performed under subarachnoid anaesthesia with intravenous sedation. 9 patients of first group in received prolonged femoral nerve blockade as a component of multimodal analgesia. 8 patients of second group received epidural infusion of naropine. If basic technique of analgesia was not effective patients received trimeperidine 20 mg intramuscular. Patients of second group had less pain syndrome (in order to visual analogue scale) and did not need additional administration of opioids.

Quasi-Particle Relaxation and Quantum Femtosecond Magnetism in Non-Equilibrium Phases of Insulating Manganites

NASA Astrophysics Data System (ADS)

Perakis, Ilias; Kapetanakis, Myron; Lingos, Panagiotis; Barmparis, George; Patz, A.; Li, T.; Wang, Jigang

We study the role of spin quantum fluctuations driven by photoelectrons during 100fs photo-excitation of colossal magneto-resistive manganites in anti-ferromagnetic (AFM) charge-ordered insulating states with Jahn-Teller distortions. Our mean-field calculation of composite fermion excitations demonstrates that spin fluctuations reduce the energy gap by quasi-instantaneously deforming the AFM background, thus opening a conductive electronic pathway via FM correlation. We obtain two quasi-particle bands with distinct spin-charge dynamics and dependence on lattice distortions. To connect with fs-resolved spectroscopy experiments, we note the emergence of fs magnetization in the low-temperature magneto-optical signal, with threshold dependence on laser intensity characteristic of a photo-induced phase transition. Simultaneously, the differential reflectivity shows bi-exponential relaxation, with fs component, small at low intensity, exceeding ps component above threshold for fs AFM-to-FM switching. This suggests the emergence of a non-equilibrium metallic FM phase prior to establishment of a new lattice structure, linked with quantum magnetism via spin/charge/lattice couplings for weak magnetic fields.

Bilinear magnetoelectric resistance as a probe of three-dimensional spin texture in topological surface states

DOE PAGES

He, Pan; Zhang, Steven S. -L.; Zhu, Dapeng; ...

2018-02-05

Surface states of three-dimensional topological insulators exhibit the phenomenon of spin-momentum locking, whereby the orientation of an electron spin is determined by its momentum. Probing the spin texture of these states is of critical importance for the realization of topological insulator devices, but the main technique currently available is spin-and angle-resolved photoemission spectroscopy. Here in this paper we reveal a close link between the spin texture and a new kind of magnetoresistance, which depends on the relative orientation of the current with respect to the magnetic field as well as the crystallographic axes, and scales linearly with both the appliedmore » electric and magnetic fields. This bilinear magnetoelectric resistance can be used to map the spin texture of topological surface states by simple transport measurements. For a prototypical Bi 2Se 3 single layer, we can map both the in-plane and out-of-plane components of the spin texture (the latter arising from hexagonal warping). Theoretical calculations suggest that the bilinear magnetoelectric resistance originates from conversion of a non-equilibrium spin current into a charge current under application of the external magnetic field.« less

Bilinear magnetoelectric resistance as a probe of three-dimensional spin texture in topological surface states

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Pan; Zhang, Steven S. -L.; Zhu, Dapeng

Surface states of three-dimensional topological insulators exhibit the phenomenon of spin-momentum locking, whereby the orientation of an electron spin is determined by its momentum. Probing the spin texture of these states is of critical importance for the realization of topological insulator devices, but the main technique currently available is spin-and angle-resolved photoemission spectroscopy. Here in this paper we reveal a close link between the spin texture and a new kind of magnetoresistance, which depends on the relative orientation of the current with respect to the magnetic field as well as the crystallographic axes, and scales linearly with both the appliedmore » electric and magnetic fields. This bilinear magnetoelectric resistance can be used to map the spin texture of topological surface states by simple transport measurements. For a prototypical Bi 2Se 3 single layer, we can map both the in-plane and out-of-plane components of the spin texture (the latter arising from hexagonal warping). Theoretical calculations suggest that the bilinear magnetoelectric resistance originates from conversion of a non-equilibrium spin current into a charge current under application of the external magnetic field.« less

Field-driven quantum phase transitions in S =1/2 spin chains

NASA Astrophysics Data System (ADS)

Iaizzi, Adam; Damle, Kedar; Sandvik, Anders W.

2017-05-01

We study the magnetization process of a one-dimensional extended Heisenberg model, the J -Q model, as a function of an external magnetic field h . In this model, J represents the traditional antiferromagnetic Heisenberg exchange and Q is the strength of a competing four-spin interaction. Without external field, this system hosts a twofold-degenerate dimerized (valence-bond solid) state above a critical value qc≈0.85 where q ≡Q /J . The dimer order is destroyed and replaced by a partially polarized translationally invariant state at a critical field value. We find magnetization jumps (metamagnetism) between the partially polarized and fully polarized state for q >qmin , where we have calculated qmin=2/9 exactly. For q >qmin , two magnons (flipped spins on a fully polarized background) attract and form a bound state. Quantum Monte Carlo studies confirm that the bound state corresponds to the first step of an instability leading to a finite magnetization jump for q >qmin . Our results show that neither geometric frustration nor spin anisotropy are necessary conditions for metamagnetism. Working in the two-magnon subspace, we also find evidence pointing to the existence of metamagnetism in the unfrustrated J1-J2 chain (J1>0 ,J2<0 ), but only if J2 is spin anisotropic. In addition to the studies at zero temperature, we also investigate quantum-critical scaling near the transition into the fully polarized state for q ≤qmin at T >0 . While the expected "zero-scale-factor" universality is clearly seen for q =0 and q ≪qmin , for q closer to qmin we find that extremely low temperatures are required to observe the asymptotic behavior, due to the influence of the tricritical point at qmin. In the low-energy theory, one can expect the quartic nonlinearity to vanish at qmin and a marginal sixth-order term should govern the scaling, which leads to a crossover at a temperature T*(q ) between logarithmic tricritical scaling and zero-scale-factor universality, with T*(q ) →0 when q →qmin .

Spin-Orbit Torques and Anisotropic Magnetization Damping in Skyrmion Crystals

NASA Astrophysics Data System (ADS)

Hals, Kjetil; Brataas, Arne

2014-03-01

We theoretically study the effects of reactive and dissipative homogeneous spin-orbit torques and anisotropic damping on the current-driven skyrmion dynamics in cubic chiral magnets. Our results demonstrate that spin-orbit torques play a significant role in the current-induced skyrmion velocity. The dissipative spin-orbit torque generates a relativistic Magnus force on the skyrmions, whereas the reactive spin-orbit torque yields a correction to both the drift velocity along the current direction and the transverse velocity associated with the Magnus force. The spin-orbit torque corrections to the velocity scale linearly with the skyrmion size, which is inversely proportional to the spin-orbit coupling. Consequently, the reactive spin-orbit torque correction can be the same order of magnitude as the non-relativistic contribution. More importantly, the dissipative spin-orbit torque can be the dominant force that causes a deflected motion of the skyrmions if the torque exhibits a linear or quadratic relationship with the spin-orbit coupling. In addition, we demonstrate that the skyrmion velocity is determined by anisotropic magnetization damping parameters governed by the skyrmion size.

Detection of large scale geomagnetic pulsations by MAGDAS-egypt stations during the solar minimum of the solar cycle 24

NASA Astrophysics Data System (ADS)

Fathy, Ibrahim

2016-07-01

This paper presents a statistical study of different types of large-scale geomagnetic pulsation (Pc3, Pc4, Pc5 and Pi2) detected simultaneously by two MAGDAS stations located at Fayum (Geo. Coordinates 29.18 N and 30.50 E) and Aswan (Geo. Coordinates 23.59 N and 32.51 E) in Egypt. The second order butter-worth band-pass filter has been used to filter and analyze the horizontal H-component of the geomagnetic field in one-second data. The data was collected during the solar minimum of the current solar cycle 24. We list the most energetic pulsations detected by the two stations instantaneously, in addition; the average amplitude of the pulsation signals was calculated.

A state interaction spin-orbit coupling density matrix renormalization group method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe{submore » 2}S{sub 2}(SCH{sub 3}){sub 4}]{sup 3−}, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.« less

Runtime Performance and Virtual Network Control Alternatives in VM-Based High-Fidelity Network Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoginath, Srikanth B; Perumalla, Kalyan S; Henz, Brian J

2012-01-01

In prior work (Yoginath and Perumalla, 2011; Yoginath, Perumalla and Henz, 2012), the motivation, challenges and issues were articulated in favor of virtual time ordering of Virtual Machines (VMs) in network simulations hosted on multi-core machines. Two major components in the overall virtualization challenge are (1) virtual timeline establishment and scheduling of VMs, and (2) virtualization of inter-VM communication. Here, we extend prior work by presenting scaling results for the first component, with experiment results on up to 128 VMs scheduled in virtual time order on a single 12-core host. We also explore the solution space of design alternatives formore » the second component, and present performance results from a multi-threaded, multi-queue implementation of inter-VM network control for synchronized execution with VM scheduling, incorporated in our NetWarp simulation system.« less

Tidal and Dynamical Evolution of Binary Asteroids

NASA Astrophysics Data System (ADS)

Jacobson, Seth A.; Scheeres, D. J.

2009-05-01

We derive a realistic model for the evolution of a tidally perturbed binary, using classical theory, to examine the system just after a spin-up fission event. The spin rate of an asteroid can be increased by the Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) effect -- thermal re-radiation from an asymmetric body, which induces torques that can rotationally accelerate the body. If the asteroid is modeled as a "rubble pile", a collection of gravitationally bound gravel with no tensile strength, increasing the spin rate will lead to a fission process that would resemble that of a viscous fluidic body [Holsapple 2007]. However, high-resolution imagery of an asteroid's constituents indicates that there is a significant distribution of size scales. A specific example is the asteroid Itokawa, which appears to be two such rubble piles in contact with each other [Fujiwara 2006]. The shape of these bodies will be irregular (modeled as tri-axial ellipsoids with a gravitational potential expanded up to second order). Their motions will raise tides on the opposing body. These tides will dissipate energy, potentially providing enough energy loss for the system to settle into a stable orbit. Fissioned binary systems are always initially unstable [Scheeres 2009, 2008]. We expect tidal dissipation rates to vary widely during the initial evolution of the system, due to this instability. The model applies instantaneous tidal torques to determine energy loss. Our preliminary results indicate that tidal energy dissipation could relax the system to a state of relative equilibrium on order 100,000 years, creating systems similar to those observed. Holsapple, K. A., Icarus, 187, 2007. Fujiwara, A., Science, 312, 2006. Scheeres, D., CMDA, 2009 (Accepted Jan 10, 2009). Scheeres, D., AAS, DDA meeting #39, #9.01, 2008.

Characterization and correction of eddy-current artifacts in unipolar and bipolar diffusion sequences using magnetic field monitoring.

PubMed

Chan, Rachel W; von Deuster, Constantin; Giese, Daniel; Stoeck, Christian T; Harmer, Jack; Aitken, Andrew P; Atkinson, David; Kozerke, Sebastian

2014-07-01

Diffusion tensor imaging (DTI) of moving organs is gaining increasing attention but robust performance requires sequence modifications and dedicated correction methods to account for system imperfections. In this study, eddy currents in the "unipolar" Stejskal-Tanner and the velocity-compensated "bipolar" spin-echo diffusion sequences were investigated and corrected for using a magnetic field monitoring approach in combination with higher-order image reconstruction. From the field-camera measurements, increased levels of second-order eddy currents were quantified in the unipolar sequence relative to the bipolar diffusion sequence while zeroth and linear orders were found to be similar between both sequences. Second-order image reconstruction based on field-monitoring data resulted in reduced spatial misalignment artifacts and residual displacements of less than 0.43 mm and 0.29 mm (in the unipolar and bipolar sequences, respectively) after second-order eddy-current correction. Results demonstrate the need for second-order correction in unipolar encoding schemes but also show that bipolar sequences benefit from second-order reconstruction to correct for incomplete intrinsic cancellation of eddy-currents. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

An Exactly Solvable Spin Chain Related to Hahn Polynomials

NASA Astrophysics Data System (ADS)

Stoilova, Neli I.; van der Jeugt, Joris

2011-03-01

We study a linear spin chain which was originally introduced by Shi et al. [Phys. Rev. A 71 (2005), 032309, 5 pages], for which the coupling strength contains a parameter α and depends on the parity of the chain site. Extending the model by a second parameter β, it is shown that the single fermion eigenstates of the Hamiltonian can be computed in explicit form. The components of these eigenvectors turn out to be Hahn polynomials with parameters (α,β) and (α+1,β-1). The construction of the eigenvectors relies on two new difference equations for Hahn polynomials. The explicit knowledge of the eigenstates leads to a closed form expression for the correlation function of the spin chain. We also discuss some aspects of a q-extension of this model.

Evolution of magnetic and orbital properties in the magnetically diluted A -site spinel Cu1 -xZnxRh2O4

NASA Astrophysics Data System (ADS)

Zakrzewski, A. V.; Gangopadhyay, S.; MacDougall, G. J.; Aczel, A. A.; Calder, S.; Williams, T. J.

2018-06-01

In frustrated spinel antiferromagnets, dilution with nonmagnetic ions can be a powerful strategy for probing unconventional spin states or uncovering interesting phenomena. Here, we present x-ray, neutron scattering, and thermodynamic studies of the effects of magnetic dilution of the tetragonally distorted A -site spinel antiferromagnet, CuRh2O4 , with nonmagnetic Zn2 + ions. Our data confirm the helical spin order recently identified at low temperatures in this material, and further demonstrate a systematic suppression of the associated Néel temperature with increasing site dilution towards a continuous transition with critical doping of xspin˜0.44 . Interestingly, this critical doping is demonstrably distinct from a second structural critical point at xJ T˜0.6 , which is consistent with the suppression of orbital order on the A site through a classical percolative mechanism. This anomalously low value for xspin is confirmed via multiple measurements, and is inconsistent with predictions of classical percolation theory, suggesting that the spin transition in this material is driven by an enhancement of preexisting spin fluctuations with weak dilution.

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacKay,W.W.

For a ring like RHIC with two full Siberian snakes on opposite sides of the ring, the spin tune for a flat orbit will be 1/2 if the snake rotation axes are perpendicular, {Delta}{phi} = {phi}{sub 9}-{phi}{sub 3} = {pi}/2. Here {phi}{sup 9} and {phi}{sub 3} are respectively the direction of the rotation axes of the 9 o'clock and 3 o'clock snakes relative to the design trajectory as shown in Figure 1. If the two snakes are slightly detuned by the same amount such that the rotation axes are no longer perpendicular, then the deviation of the closed-orbit spin tunemore » {nu}{sub 0} from 1/2 is given by {Delta}{nu}{sub 0} {approx_equal} ({Delta}{mu}){sup 2}/4{pi} cosG{gamma}{pi} - 2{Delta}{phi}/{pi} {approx_equal} 2{Delta}{phi}/180{sup o} with G{gamma} at a half integer, and where {Delta}{mu} is the deviation of snake rotation angle from 180{sup o}. It should be noted that there is a sign ambiguity in {Delta}{mu}{sub 0} since a spin tune of 0.495 is also a spin tune of 0.505, depending on the direction taken along the stable spin axis. In order to understand the effect of energy scaling on the snake axis direction, I have integrated the trajectory and spin rotation through a model of a RHIC snake (bi9-snk7) and found the energy (U) dependence of the snake axis angle {phi}{sub 9} and rotation angle {mu} as shown. A {approx_equal} p{sup -2} scaling of errors is typical in helical snakes. To first order, the orbit excursion drops as p{sup -1} and the spin precessions about transverse fields increase as {gamma} giving an approximate cancellation with energy, so we do not expect much change during the field ramp. The next order term which comes in is primarily proportional to p{sup -2}; although naively one might expect a slight effect inversely proportional to the velocity since {gamma}/p {proportional_to} c/{nu} {approx_equal} 1 + 1/2{gamma}{sup 2}.« less

Quantum coherence of planar spin models with Dzyaloshinsky-Moriya interaction

NASA Astrophysics Data System (ADS)

Radhakrishnan, Chandrashekar; Ermakov, Igor; Byrnes, Tim

2017-07-01

The quantum coherence of one-dimensional planar spin models with Dzyaloshinsky-Moriya interaction is investigated. The anisotropic XY model, the isotropic XX model, and the transverse field model are studied in the large N limit using two qubit reduced density matrices and two point correlation functions. From our investigations we find that the coherence as measured using Jensen-Shannon divergence can be used to detect quantum phase transitions and quantum critical points. The derivative of coherence shows nonanalytic behavior at critical points, leading to the conclusion that these transitions are of second order. Further, we show that the presence of Dzyaloshinsky-Moriya coupling suppresses the phase transition due to residual ferromagnetism, which is caused by spin canting.

Continuous-spin mixed-symmetry fields in AdS(5)

NASA Astrophysics Data System (ADS)

Metsaev, R. R.

2018-05-01

Free mixed-symmetry continuous-spin fields propagating in AdS(5) space and flat R(4,1) space are studied. In the framework of a light-cone gauge formulation of relativistic dynamics, we build simple actions for such fields. The realization of relativistic symmetries on the space of light-cone gauge mixed-symmetry continuous-spin fields is also found. Interrelations between constant parameters entering the light-cone gauge actions and eigenvalues of the Casimir operators of space-time symmetry algebras are obtained. Using these interrelations and requiring that the field dynamics in AdS(5) be irreducible and classically unitary, we derive restrictions on the constant parameters and eigenvalues of the second-order Casimir operator of the algebra.

Random crystal field effects on the integer and half-integer mixed-spin system

NASA Astrophysics Data System (ADS)

Yigit, Ali; Albayrak, Erhan

2018-05-01

In this work, we have focused on the random crystal field effects on the phase diagrams of the mixed spin-1 and spin-5/2 Ising system obtained by utilizing the exact recursion relations (ERR) on the Bethe lattice (BL). The distribution function P(Di) = pδ [Di - D(1 + α) ] +(1 - p) δ [Di - D(1 - α) ] is used to randomize the crystal field.The phase diagrams are found to exhibit second- and first-order phase transitions depending on the values of α, D and p. It is also observed that the model displays tricritical point, isolated point, critical end point and three compensation temperatures for suitable values of the system parameters.

Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seino, Junji; Nakai, Hiromi, E-mail: nakai@waseda.jp; Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555

In order to perform practical electron correlation calculations, the local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas–Kroll–Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys.136, 244102 (2012); J. Seino and H. Nakai, J. Chem. Phys.137, 144101 (2012)], which is based on the locality of relativistic effects, has been combined with the linear-scaling divide-and-conquer (DC)-based Hartree–Fock (HF) and electron correlation methods, such as the second-order Møller–Plesset (MP2) and the coupled cluster theories with single and double excitations (CCSD). Numerical applications in hydrogen halide molecules, (HX){sub n} (X = F, Cl, Br, and I), coinage metal chain systems,more » M{sub n} (M = Cu and Ag), and platinum-terminated polyynediyl chain, trans,trans-((p-CH{sub 3}C{sub 6}H{sub 4}){sub 3}P){sub 2}(C{sub 6}H{sub 5})Pt(C≡C){sub 4}Pt(C{sub 6}H{sub 5})((p-CH{sub 3}C{sub 6}H{sub 4}){sub 3}P){sub 2}, clarified that the present methods, namely DC-HF, MP2, and CCSD with the LUT-IODKH Hamiltonian, reproduce the results obtained using conventional methods with small computational costs. The combination of both LUT and DC techniques could be the first approach that achieves overall quasi-linear-scaling with a small prefactor for relativistic electron correlation calculations.« less

SABRE-Relay: A Versatile Route to Hyperpolarization.

PubMed

Roy, Soumya S; Appleby, Kate M; Fear, Elizabeth J; Duckett, Simon B

2018-03-01

Signal Amplification by Reversible Exchange (SABRE) is used to switch on the latent singlet spin order of para-hydrogen (p-H 2 ) so that it can hyperpolarize a substrate (sub = nicotinamide, nicotinate, niacin, pyrimidine, and pyrazine). The substrate then reacts reversibly with [Pt(OTf) 2 (bis-diphenylphosphinopropane)] by displacing OTf - to form [Pt(OTf)(sub)(bis-diphenylphosphinopropane)]OTf. The 31 P NMR signals of these metal complexes prove to be enhanced when the substrate possesses an accessible singlet state or long-lived Zeeman polarization. In the case of pyrazine, the corresponding 31 P signal was 105 ± 8 times larger than expected, which equated to an 8 h reduction in total scan time for an equivalent signal-to-noise ratio under normal acquisition conditions. Hence, p-H 2 derived spin order is successfully relayed into a second metal complex via a suitable polarization carrier (sub). When fully developed, we expect this route involving a second catalyst to successfully hyperpolarize many classes of substrates that are not amenable to the original SABRE method.

SABRE-Relay: A Versatile Route to Hyperpolarization

PubMed Central

2018-01-01

Signal Amplification by Reversible Exchange (SABRE) is used to switch on the latent singlet spin order of para-hydrogen (p-H2) so that it can hyperpolarize a substrate (sub = nicotinamide, nicotinate, niacin, pyrimidine, and pyrazine). The substrate then reacts reversibly with [Pt(OTf)2(bis-diphenylphosphinopropane)] by displacing OTf– to form [Pt(OTf)(sub)(bis-diphenylphosphinopropane)]OTf. The 31P NMR signals of these metal complexes prove to be enhanced when the substrate possesses an accessible singlet state or long-lived Zeeman polarization. In the case of pyrazine, the corresponding 31P signal was 105 ± 8 times larger than expected, which equated to an 8 h reduction in total scan time for an equivalent signal-to-noise ratio under normal acquisition conditions. Hence, p-H2 derived spin order is successfully relayed into a second metal complex via a suitable polarization carrier (sub). When fully developed, we expect this route involving a second catalyst to successfully hyperpolarize many classes of substrates that are not amenable to the original SABRE method. PMID:29432020

A high-field adiabatic fast passage ultracold neutron spin flipper for the UCNA experiment.

PubMed

Holley, A T; Broussard, L J; Davis, J L; Hickerson, K; Ito, T M; Liu, C-Y; Lyles, J T M; Makela, M; Mammei, R R; Mendenhall, M P; Morris, C L; Mortensen, R; Pattie, R W; Rios, R; Saunders, A; Young, A R

2012-07-01

The UCNA collaboration is making a precision measurement of the β asymmetry (A) in free neutron decay using polarized ultracold neutrons (UCN). A critical component of this experiment is an adiabatic fast passage neutron spin flipper capable of efficient operation in ambient magnetic fields on the order of 1 T. The requirement that it operate in a high field necessitated the construction of a free neutron spin flipper based, for the first time, on a birdcage resonator. The design, construction, and initial testing of this spin flipper prior to its use in the first measurement of A with UCN during the 2007 run cycle of the Los Alamos Neutron Science Center's 800 MeV proton accelerator is detailed. These studies determined the flipping efficiency of the device, averaged over the UCN spectrum present at the location of the spin flipper, to be ̅ε=0.9985(4).

Oscillation criteria for a class of second-order Emden-Fowler delay dynamic equations on time scales

NASA Astrophysics Data System (ADS)

Han, Zhenlai; Sun, Shurong; Shi, Bao

2007-10-01

By means of Riccati transformation technique, we establish some new oscillation criteria for the second-order Emden-Fowler delay dynamic equationsx[Delta][Delta](t)+p(t)x[gamma]([tau](t))=0 on a time scale ; here [gamma] is a quotient of odd positive integers with p(t) real-valued positive rd-continuous functions defined on . To the best of our knowledge nothing is known regarding the qualitative behavior of these equations on time scales. Our results in this paper not only extend the results given in [R.P. Agarwal, M. Bohner, S.H. Saker, Oscillation of second-order delay dynamic equations, Can. Appl. Math. Q. 13 (1) (2005) 1-18] but also unify the oscillation of the second-order Emden-Fowler delay differential equation and the second-order Emden-Fowler delay difference equation.

Spin current and second harmonic generation in non-collinear magnetic systems: the hydrodynamic model

NASA Astrophysics Data System (ADS)

Karashtin, E. A.; Fraerman, A. A.

2018-04-01

We report a theoretical study of the second harmonic generation in a noncollinearly magnetized conductive medium with equilibrium spin current. The hydrodynamic model is used to unravel the mechanism of a novel effect of the double frequency signal generation that is attributed to the spin current. According to our calculations, this second harmonic response appears due to the ‘non-adiabatic’ spin polarization of the conduction electrons induced by the oscillations in the non-uniform magnetization forced by the electric field of the electromagnetic wave. Together with the linear velocity response this leads to the generation of the double frequency spin current. This spin current is converted to the electric current via the inverse spin Hall effect, and the double-frequency electric current emits the second harmonic radiation. Possible experiment for detection of the new second harmonic effect is proposed.

Global phase diagram and quantum spin liquids in a spin- 1 2 triangular antiferromagnet

DOE PAGES

Gong, Shou-Shu; Zhu, Wei; Zhu, Jianxin; ...

2017-08-09

For this research, we study the spin-1/2 Heisenberg model on the triangular lattice with the nearest-neighbor J 1 > 0 , the next-nearest-neighobr J 2 > 0 Heisenberg interactions, and the additional scalar chiral interaction Jχ (more » $$\\vec{S}$$ i × $$\\vec{S}$$ j ) · $$\\vec{S}$$ k for the three spins in all the triangles using large-scale density matrix renormalization group calculation on cylinder geometry. With increasing J 2 (J 2 / J 1 ≤ 0.3 ) and Jχ (Jχ / J 1 ≤ 1.0 ) interactions, we establish a quantum phase diagram with the magnetically ordered 120°, stripe, and noncoplanar tetrahedral phase. In between these magnetic order phases, we find a chiral spin liquid (CSL) phase, which is identified as a ν = 1/2 bosonic fractional quantum Hall state with possible spontaneous rotational symmetry breaking. By switching on the chiral interaction, we find that the previously identified spin liquid in the J 1 - J 2 triangular model (0.08 ≲ J 2 / J 1 ≲ 0.15) shows a phase transition to the CSL phase at very small Jχ. We also compute the spin triplet gap in both spin liquid phases, and our finite-size results suggest a large gap in the odd topological sector but a small or vanishing gap in the even sector. Lastly, we discuss the implications of our results on the nature of the spin liquid phases.« less

Validity of Level of Supervision Scales for Assessing Pediatric Fellows on the Common Pediatric Subspecialty Entrustable Professional Activities.

PubMed

Mink, Richard B; Schwartz, Alan; Herman, Bruce E; Turner, David A; Curran, Megan L; Myers, Angela; Hsu, Deborah C; Kesselheim, Jennifer C; Carraccio, Carol L

2018-02-01

Entrustable professional activities (EPAs) represent the routine and essential activities that physicians perform in practice. Although some level of supervision scales have been proposed, they have not been validated. In this study, the investigators created level of supervision scales for EPAs common to the pediatric subspecialties and then examined their validity in a study conducted by the Subspecialty Pediatrics Investigator Network (SPIN). SPIN Steering Committee members used a modified Delphi process to develop unique scales for six of the seven common EPAs. The investigators sought validity evidence in a multisubspecialty study in which pediatric fellowship program directors and Clinical Competency Committees used the scales to evaluate fellows in fall 2014 and spring 2015. Separate scales for the six EPAs, each with five levels of progressive entrustment, were created. In both fall and spring, more than 300 fellows in each year of training from over 200 programs were assessed. In both periods and for each EPA, there was a progressive increase in entrustment levels, with second-year fellows rated higher than first-year fellows (P < .001) and third-year fellows rated higher than second-year fellows (P < .001). For each EPA, spring ratings were higher (P < .001) than those in the fall. Interrater reliability was high (Janson and Olsson's iota = 0.73). The supervision scales developed for these six common pediatric subspecialty EPAs demonstrated strong validity evidence for use in EPA-based assessment of pediatric fellows. They may also inform the development of scales in other specialties.

An accurate empirical method to predict the adsorption strength for π-orbital contained molecules on two dimensional materials.

PubMed

Li, Hongping; Wang, Changwei; Xun, Suhang; He, Jing; Jiang, Wei; Zhang, Ming; Zhu, Wenshuai; Li, Huaming

2018-06-01

To obtain the adsorption strength is the key point for materials design and parameters optimization in chemical engineering. Here we report a simple but accuracy method to estimate the adsorptive energies by counting the number of π-orbital involved atoms based on theoretical computations for hexagonal boron nitride (h-BN) and graphene. Computational results by density function theory (DFT) as well as spin-component scaled second-order Møller-Plesset perturbation theory (SCS-MP2) both confirm that the adsorptive energies correlate well with the number of π-orbital involved atoms for π-orbital contained molecules. The selected molecules (adsorbates) are commonly used in chemical industry, which contains C, N, S, O atoms. The predicted results for the proposed formulas agree well with the current and previous DFT calculated values both on h-BN and graphene surfaces. Further, it can be also used to predict the adsorptive energies for small π-orbital contained molecules on BN and carbon nanotubes. The interaction type for these adsorptions is typical π-π interaction. Further investigations show that the physical origin of these interactions source from the polar interactions between the adsorbents and adsorbates. Hence, for separation or removal of aromatic molecules, how to modify the aromaticity and polarity of both adsorbents and adsorbates will be the key points for experiments. Copyright © 2018 Elsevier Inc. All rights reserved.

Coupled tensorial forms of the second-order effective Hamiltonian for open-subshell atoms in jj-coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jursenas, Rytis, E-mail: Rytis.Jursenas@tfai.vu.l; Merkelis, Gintaras

2011-01-15

General expressions for the second-order effective atomic Hamiltonian are derived for open-subshell atoms in jj-coupling. The expansion terms are presented as N-body (N=0,1,2,3) effective operators given in the second quantization representation in coupled tensorial form. Two alternative coupled tensorial forms for each expansion term have been developed. To reduce the number of expressions of the effective Hamiltonian, the reduced matrix elements of antisymmetric two-particle wavefunctions are involved in the consideration. The general expressions presented allow the determination of the spin-angular part of expansion terms when studying correlation effects dealing with a number of problems in atomic structure calculations.

Polymer density functional theory approach based on scaling second-order direct correlation function.

PubMed

Zhou, Shiqi

2006-06-01

A second-order direct correlation function (DCF) from solving the polymer-RISM integral equation is scaled up or down by an equation of state for bulk polymer, the resultant scaling second-order DCF is in better agreement with corresponding simulation results than the un-scaling second-order DCF. When the scaling second-order DCF is imported into a recently proposed LTDFA-based polymer DFT approach, an originally associated adjustable but mathematically meaningless parameter now becomes mathematically meaningful, i.e., the numerical value lies now between 0 and 1. When the adjustable parameter-free version of the LTDFA is used instead of the LTDFA, i.e., the adjustable parameter is fixed at 0.5, the resultant parameter-free version of the scaling LTDFA-based polymer DFT is also in good agreement with the corresponding simulation data for density profiles. The parameter-free version of the scaling LTDFA-based polymer DFT is employed to investigate the density profiles of a freely jointed tangent hard sphere chain near a variable sized central hard sphere, again the predictions reproduce accurately the simulational results. Importance of the present adjustable parameter-free version lies in its combination with a recently proposed universal theoretical way, in the resultant formalism, the contact theorem is still met by the adjustable parameter associated with the theoretical way.

Compensated second-order recoupling: application to third spin assisted recoupling†

PubMed Central

Giffard, Mathilde; Hediger, Sabine; Lewandowski, Józef R.; Bardet, Michel; Simorre, Jean-Pierre; Griffin, Robert G.; De Paëpe, Gaël

2015-01-01

We consider the effect of phase shifts in the context of second-order recoupling techniques in solid-state NMR. Notably we highlight conditions leading to significant improvements for the Third Spin Assisted Recoupling (TSAR) mechanism and demonstrate the benefits of resulting techniques for detecting long-distance transfer in biomolecular systems. The modified pulse sequences of PAR and PAIN-CP, Phase-Shifted Proton Assisted Recoupling (AH-PS-PAR) and Phase-Shifted Proton-Assisted Insensitive Nuclei Cross Polarization (ABH-PS-PAIN-CP), still rely on cross terms between heteronuclear dipolar couplings involving assisting protons that mediate zero-quantum polarization transfer between low-γ nuclei (13C–13C, 15N–15N, 15N–13C polarization transfer). Using Average Hamiltonian Theory we show that phase inversion compensates off-resonance contributions and yields improved polarization transfer as well as substantial broadening of the matching conditions. PS-TSAR greatly improves on the standard TSAR based methods because it alleviates their sensitivity to precise RF settings which significantly enhances robustness of the experiments. We demonstrate these new methods on a 19.6 kDa protein (U–[15N, 13C]-YajG) at high magnetic fields (up to 900 MHz 1H frequency) and fast sample spinning (up to 65 kHz MAS frequency). PMID:22513727

Surface Raman scattering from effervescent magnetic peroxyborates

NASA Astrophysics Data System (ADS)

Walrafen, G. E.; Krishnan, P. N.; Griscom, D. L.; Munro, R.

1982-06-01

Surface Raman scattering using a spinning technique was investigated for solid NaBO3.4H2O and NaBO3.H2O as well as for electron bombarded peroxyborates heated for various times and at temperatures form 110-180 deg C, and for solid Na2O2 and BaO2. The Raman spectra indicate that the breakdown of peroxy groups is accompanied by the formation of trapped molecular O2. Quantitative Raman intensity data were also obtained as functions of heating time at 115 deg C for the 1556 cm-1 line from O2 and for the 890 and 705 cm-1 lines whose intensities scale with the peroxy concentration. These intensity data were treated by logistics theory, and they were found to be consistent with a second-order auto-catalyzed forward reaction dependent on the product of the peroxy and O2 concentrations, plus a first-order reverse reaction dependent only on the O2 concentration.

Surface Raman scattering from effervescent magnetic peroxyborates

NASA Astrophysics Data System (ADS)

Walrafen, G. E.; Krishnan, P. N.; Hokmabadi, M.; Griscom, D. L.; Munro, R. G.

1982-10-01

Surface Raman scattering using a spinning technique was investigated for solid NaBO3ṡ4H2O and NaBO3ṡH2O, as well as for electron bombarded peroxyborates, for peroxyborates heated for various times and at temperatures for 110-180 °C, and for solid Na2O2 and BaO2. The Raman spectra indicate that the breakdown of peroxy groups is accompanied by the formation of trapped molecular O2. Quantitative Raman intensity data were also obtained as functions of heating time at 115 °C for the 1556 cm-1 line from O2 and for the 890 and 705 cm-1 lines whose intensities scale with the peroxy concentration. These intensity data were treated by logistics theory, and they were found to be consistent with a second-order autocatalyzed forward reaction dependent on the product of the peroxy and O2 concentrations, plus a first-order reverse reaction dependent only on the O2 concentration.

Ultrafast Magnetization of a Dense Molecular Gas with an Optical Centrifuge.

PubMed

Milner, A A; Korobenko, A; Milner, V

2017-06-16

Strong laser-induced magnetization of oxygen gas at room temperature and atmospheric pressure is achieved experimentally on the subnanosecond time scale. The method is based on controlling the electronic spin of paramagnetic molecules by means of manipulating their rotation with an optical centrifuge. Spin-rotational coupling results in a high degree of spin polarization on the order of one Bohr magneton per centrifuged molecule. Owing to the nonresonant interaction with the laser pulses, the demonstrated technique is applicable to a broad class of paramagnetic rotors. Executed in a high-density gas, it may offer an efficient way of generating macroscopic magnetic fields remotely (as shown in this work) and producing a large amount of spin-polarized electrons.

Ultrafast Magnetization of a Dense Molecular Gas with an Optical Centrifuge

NASA Astrophysics Data System (ADS)

Milner, A. A.; Korobenko, A.; Milner, V.

2017-06-01

Strong laser-induced magnetization of oxygen gas at room temperature and atmospheric pressure is achieved experimentally on the subnanosecond time scale. The method is based on controlling the electronic spin of paramagnetic molecules by means of manipulating their rotation with an optical centrifuge. Spin-rotational coupling results in a high degree of spin polarization on the order of one Bohr magneton per centrifuged molecule. Owing to the nonresonant interaction with the laser pulses, the demonstrated technique is applicable to a broad class of paramagnetic rotors. Executed in a high-density gas, it may offer an efficient way of generating macroscopic magnetic fields remotely (as shown in this work) and producing a large amount of spin-polarized electrons.

Magnetic monopole condensation transition out of quantum spin ice: application to Pr2 Ir2 O7 and Yb2 Ti2 O7

NASA Astrophysics Data System (ADS)

Chen, Gang

We study the proximate magnetic orders and the related quantum phase transition out of quantum spin ice (QSI). We apply the electromagnetic duality of the compact quantum electrodynamics to analyze the condensation of the magnetic monopoles for QSI. The monopole condensation transition represents a unconventional quantum criticality with unusual scaling laws. The magnetic monopole condensation leads to the magnetic states that belong to the ``2-in 2-out'' spin ice manifold and generically have an enlarged magnetic unit cell. We demonstrate that the antiferromagnetic state with the ordering wavevector Q = 2p(001) is proximate to QSI while the ferromagnetic state with the ordering wavevector Q = (000) is not proximate to QSI. This implies that if there exists a direct transition from QSI to the ferromagnetic state, the transition must be strongly first order. We apply the theory to the puzzling experiments on two pyrochlore systems Pr2Ir2O7 and Yb2Ti2O7. chggst@gmail.com.

Calculations of long-range three-body interactions for He(n0λS )-He(n0λS )-He(n0'λL )

NASA Astrophysics Data System (ADS)

Yan, Pei-Gen; Tang, Li-Yan; Yan, Zong-Chao; Babb, James F.

2018-04-01

We theoretically investigate long-range interactions between an excited L -state He atom and two identical S -state He atoms for the cases of the three atoms all in spin-singlet states or all in spin-triplet states, denoted by He(n0λS )-He(n0λS )-He(n0'λL ), with n0 and n0' principal quantum numbers, λ =1 or 3 the spin multiplicity, and L the orbital angular momentum of a He atom. Using degenerate perturbation theory for the energies up to second-order, we evaluate the coefficients C3 of the first-order dipolar interactions and the coefficients C6 and C8 of the second-order additive and nonadditive interactions. Both the dipolar and dispersion interaction coefficients, for these three-body degenerate systems, show dependences on the geometrical configurations of the three atoms. The nonadditive interactions start to appear in second-order. To demonstrate the results and for applications, the obtained coefficients Cn are evaluated with highly accurate variationally generated nonrelativistic wave functions in Hylleraas coordinates for He(1 1S ) -He(1 1S ) -He(2 1S ) , He(1 1S ) -He(1 1S ) -He(2 1P ) , He(2 1S ) -He(2 1S ) -He(2 1P ) , and He(2 3S ) -He(2 3S ) -He(2 3P ) . The calculations are given for three like nuclei for the cases of hypothetical infinite mass He nuclei, and of real finite mass 4He or 3He nuclei. The special cases of the three atoms in equilateral triangle configurations are explored in detail, and for the cases in which one of the atoms is in a P state, we also present results for the atoms in an isosceles right triangle configuration or in an equally spaced collinear configuration. The results can be applied to construct potential energy surfaces for three helium atom systems.

Josephson-like spin current in junctions composed of antiferromagnets and ferromagnets

NASA Astrophysics Data System (ADS)

Moor, A.; Volkov, A. F.; Efetov, K. B.

2012-01-01

We study Josephson-like junctions formed by materials with antiferromagnetic (AF) order parameters. As an antiferromagnet, we consider a two-band material in which a spin density wave (SDW) arises. This could be Fe-based pnictides in the temperature interval Tc≤T≤TN, where Tc and TN are the critical temperatures for the superconducting and antiferromagnetic transitions, respectively. The spin current jSp in AF/F/AF junctions with a ballistic ferromagnetic layer and in tunnel AF/I/AF junctions is calculated. It depends on the angle between the magnetization vectors in the AF leads in the same way as the Josephson current depends on the phase difference of the superconducting order parameters in S/I/S tunnel junctions. It turns out that in AF/F/AF junctions, two components of the SDW order parameter are induced in the F layer. One of them oscillates in space with a short period ξF,b˜ℏv/H, while the other decays monotonously from the interfaces over a long distance of the order ξN,b=ℏv/2πT (where v, H, and T are the Fermi velocity, the exchange energy, and the temperature, respectively; the subindex “b” denotes the ballistic case). This is a clear analogy with the case of Josephson S/F/S junctions with a nonhomogeneous magnetization where short- and long-range condensate components are induced in the F layer. However, in contrast to the charge Josephson current in S/F/S junctions, the spin current in AF/F/AF junctions is not constant in space, but oscillates in the ballistic F layer. We also calculate the dependence of jSp on the deviation from the ideal nesting in the AF/I/AF junctions. The spin current is maximal in the insulating phase of the AF and decreases in the metallic phase. It turns to zero at the Neel point when the amplitude of the SDW is zero and changes sign for certain values of the detuning parameter.

Spin-polarized scanning tunneling microscopy with quantitative insights into magnetic probes

NASA Astrophysics Data System (ADS)

Phark, Soo-hyon; Sander, Dirk

2017-04-01

Spin-polarized scanning tunneling microscopy and spectroscopy (spin-STM/S) have been successfully applied to magnetic characterizations of individual nanostructures. Spin-STM/S is often performed in magnetic fields of up to some Tesla, which may strongly influence the tip state. In spite of the pivotal role of the tip in spin-STM/S, the contribution of the tip to the differential conductance d I/d V signal in an external field has rarely been investigated in detail. In this review, an advanced analysis of spin-STM/S data measured on magnetic nanoislands, which relies on a quantitative magnetic characterization of tips, is discussed. Taking advantage of the uniaxial out-of-plane magnetic anisotropy of Co bilayer nanoisland on Cu(111), in-field spin-STM on this system has enabled a quantitative determination, and thereby, a categorization of the magnetic states of the tips. The resulting in-depth and conclusive analysis of magnetic characterization of the tip opens new venues for a clear-cut sub-nanometer scale spin ordering and spin-dependent electronic structure of the non-collinear magnetic state in bilayer high Fe nanoislands on Cu(111).

Additives influence on spinning solution and nano web properties

NASA Astrophysics Data System (ADS)

Kukle, S.; Jegina, S.; Sutka, A.; Makovska, R.

2017-10-01

Needleless electrospinning operated as a one-stage process producing nanofibres webs from spinning solutions with the corresponding to the final use properties seems has a good future prospects. Complicated spinning solution designing started with the selection of composition and components proportion, pre-processing sequence and parameters establishing for every component and for their mixing. Spinning solution viscosity and electro conductivity together with the spinning distance and intensity of electromagnetic field are main parameters determined spin ability and properties of obtained nanofibers. Influence of some pre-processing parameters of components, combinations of organic and non-organic components and their concentration influence on spinning solution viscosity and conductivity, as well on fibres diameters are under discussion.

Encoding neural and synaptic functionalities in electron spin: A pathway to efficient neuromorphic computing

NASA Astrophysics Data System (ADS)

Sengupta, Abhronil; Roy, Kaushik

2017-12-01

Present day computers expend orders of magnitude more computational resources to perform various cognitive and perception related tasks that humans routinely perform every day. This has recently resulted in a seismic shift in the field of computation where research efforts are being directed to develop a neurocomputer that attempts to mimic the human brain by nanoelectronic components and thereby harness its efficiency in recognition problems. Bridging the gap between neuroscience and nanoelectronics, this paper attempts to provide a review of the recent developments in the field of spintronic device based neuromorphic computing. Description of various spin-transfer torque mechanisms that can be potentially utilized for realizing device structures mimicking neural and synaptic functionalities is provided. A cross-layer perspective extending from the device to the circuit and system level is presented to envision the design of an All-Spin neuromorphic processor enabled with on-chip learning functionalities. Device-circuit-algorithm co-simulation framework calibrated to experimental results suggest that such All-Spin neuromorphic systems can potentially achieve almost two orders of magnitude energy improvement in comparison to state-of-the-art CMOS implementations.

Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework.

PubMed

Aucar, I Agustín; Gomez, Sergio S; Giribet, Claudia G; Aucar, Gustavo A

2016-08-24

One of the most influential articles showing the best way to get the absolute values of NMR magnetic shieldings, σ (non-measurables) from both accurate measurements and theoretical calculations, was published a long time ago by Flygare. His model was shown to break down when heavy atoms are involved. This fact motivated the development of new theories of nuclear spin-rotation (SR) tensors, which consider electronic relativistic effects. One was published recently by some of us. In this article we take another step further and propose three different models that generalize Flygare's model. All of them are written using four-component relativistic expressions, though the two-component relativistic SO-S term also appears in one. The first clues for these developments were built from the relationship among σ and the SR tensors within the two-component relativistic LRESC model. Besides, we had to introduce a few other well defined assumptions: (i) relativistic corrections must be included in a way to best reproduce the relationship among the (e-e) term (called "paramagnetic" within the non-relativistic domain) of σ and its equivalent part of the SR tensor, (ii) as happens in Flygare's rule, the shielding of free atoms shall be included to improve accuracy. In the highest accurate model, a new term known as Spin-orbit due to spin, SO-S (in this mechanism the spin-Zeeman Hamiltonian replaces the orbital-Zeeman Hamiltonian), is included. We show the results of the application of those models to halogen containing linear molecules.

Enhanced Tunnel Spin Injection into Graphene using Chemical Vapor Deposited Hexagonal Boron Nitride

PubMed Central

Kamalakar, M. Venkata; Dankert, André; Bergsten, Johan; Ive, Tommy; Dash, Saroj P.

2014-01-01

The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic architectures through demonstrations of ultrahigh electron mobilities and charge-based tunnel transistors. Here, we expand the functional horizon of such 2D materials demonstrating the quantum tunneling of spin polarized electrons through atomic planes of CVD grown h-BN. We report excellent tunneling behavior of h-BN layers together with tunnel spin injection and transport in graphene using ferromagnet/h-BN contacts. Employing h-BN tunnel contacts, we observe enhancements in both spin signal amplitude and lifetime by an order of magnitude. We demonstrate spin transport and precession over micrometer-scale distances with spin lifetime up to 0.46 nanosecond. Our results and complementary magnetoresistance calculations illustrate that CVD h-BN tunnel barrier provides a reliable, reproducible and alternative approach to address the conductivity mismatch problem for spin injection into graphene. PMID:25156685

Direct evidence for the spin cycloid in strained nanoscale bismuth ferrite thin films

PubMed Central

Bertinshaw, Joel; Maran, Ronald; Callori, Sara J.; Ramesh, Vidya; Cheung, Jeffery; Danilkin, Sergey A.; Lee, Wai Tung; Hu, Songbai; Seidel, Jan; Valanoor, Nagarajan; Ulrich, Clemens

2016-01-01

Magnonic devices that utilize electric control of spin waves mediated by complex spin textures are an emerging direction in spintronics research. Room-temperature multiferroic materials, such as bismuth ferrite (BiFeO3), would be ideal candidates for this purpose. To realize magnonic devices, a robust long-range spin cycloid with well-known direction is desired, since it is a prerequisite for the magnetoelectric coupling. Despite extensive investigation, the stabilization of a large-scale uniform spin cycloid in nanoscale (100 nm) thin BiFeO3 films has not been accomplished. Here, we demonstrate cycloidal spin order in 100 nm BiFeO3 thin films through the careful choice of crystallographic orientation, and control of the electrostatic and strain boundary conditions. Neutron diffraction, in conjunction with X-ray diffraction, reveals an incommensurate spin cycloid with a unique [11] propagation direction. While this direction is different from bulk BiFeO3, the cycloid length and Néel temperature remain equivalent to bulk at room temperature. PMID:27585637

Auxiliary-fermion approach to critical fluctuations in the two-dimensional quantum antiferromagnetic Heisenberg model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brinckmann, Jan; Woelfle, Peter

2004-11-01

The nearest-neighbor quantum antiferromagnetic (AF) Heisenberg model for spin-1/2 on a two-dimensional square lattice is studied in the auxiliary-fermion representation. Expressing spin operators by canonical fermionic particles requires a constraint on the fermion charge Q{sub i}=1 on each lattice site i, which is imposed approximately through the thermal average. The resulting interacting fermion system is first treated in mean-field theory (MFT), which yields an AF ordered ground state and spin waves in quantitative agreement with conventional spin-wave theory. At finite temperature a self-consistent approximation beyond mean field is required in order to fulfill the Mermin-Wagner theorem. We first discuss amore » fully self-consistent approximation, where fermions are renormalized due to fluctuations of their spin density, in close analogy to FLEX. While static properties like the correlation length, {xi}(T){proportional_to}exp(aJ/T), come out correctly, the dynamical response lacks the magnon-like peaks which would reflect the appearance of short-range order at low T. This drawback, which is caused by overdamping, is overcome in a 'minimal self-consistent approximation' (MSCA), which we derive from the equations of motion. The MSCA features dynamical scaling at small energy and temperature and is qualitatively correct both in the regime of order-parameter relaxation at long wavelengths {lambda}>{xi} and in the short-range-order regime at {lambda}<{xi}. We also discuss the impact of vertex corrections and the problem of pseudo-gap formation in the single-particle density of states due to long-range fluctuations. Finally we show that the (short-range) magnetic order in MFT and MSCA helps to fulfill the constraint on the local fermion occupancy.« less

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

PubMed

Dracínský, Martin; Kaminský, Jakub; Bour, Petr

2009-03-07

Relative importance of anharmonic corrections to molecular vibrational energies, nuclear magnetic resonance (NMR) chemical shifts, and J-coupling constants was assessed for a model set of methane derivatives, differently charged alanine forms, and sugar models. Molecular quartic force fields and NMR parameter derivatives were obtained quantum mechanically by a numerical differentiation. In most cases the harmonic vibrational function combined with the property second derivatives provided the largest correction of the equilibrium values, while anharmonic corrections (third and fourth energy derivatives) were found less important. The most computationally expensive off-diagonal quartic energy derivatives involving four different coordinates provided a negligible contribution. The vibrational corrections of NMR shifts were small and yielded a convincing improvement only for very accurate wave function calculations. For the indirect spin-spin coupling constants the averaging significantly improved already the equilibrium values obtained at the density functional theory level. Both first and complete second shielding derivatives were found important for the shift corrections, while for the J-coupling constants the vibrational parts were dominated by the diagonal second derivatives. The vibrational corrections were also applied to some isotopic effects, where the corrected values reasonably well reproduced the experiment, but only if a full second-order expansion of the NMR parameters was included. Contributions of individual vibrational modes for the averaging are discussed. Similar behavior was found for the methane derivatives, and for the larger and polar molecules. The vibrational averaging thus facilitates interpretation of previous experimental results and suggests that it can make future molecular structural studies more reliable. Because of the lengthy numerical differentiation required to compute the NMR parameter derivatives their analytical implementation in future quantum chemistry packages is desirable.

Standing spin-wave mode structure and linewidth in partially disordered hexagonal arrays of perpendicularly magnetized sub-micron Permalloy discs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ross, N., E-mail: rossn2282@gmail.com; Kostylev, M., E-mail: mikhail.kostylev@uwa.edu.au; Stamps, R. L.

2014-09-21

Standing spin wave mode frequencies and linewidths in partially disordered perpendicular magnetized arrays of sub-micron Permalloy discs are measured using broadband ferromagnetic resonance and compared to analytical results from a single, isolated disc. The measured mode structure qualitatively reproduces the structure expected from the theory. Fitted demagnetizing parameters decrease with increasing array disorder. The frequency difference between the first and second radial modes is found to be higher in the measured array systems than predicted by theory for an isolated disc. The relative frequencies between successive spin wave modes are unaffected by reduction of the long-range ordering of discs inmore » the array. An increase in standing spin wave resonance linewidth at low applied magnetic fields is observed and grows more severe with increased array disorder.« less

Gap Reversal at Filling Factors 3 +1 /3 and 3 +1 /5 : Towards Novel Topological Order in the Fractional Quantum Hall Regime

NASA Astrophysics Data System (ADS)

Kleinbaum, Ethan; Kumar, Ashwani; Pfeiffer, L. N.; West, K. W.; Csáthy, G. A.

2015-02-01

In the region of the second Landau level several theories predict fractional quantum Hall states with novel topological order. We report the opening of an energy gap at the filling factor ν =3 +1 /3 , firmly establishing the ground state as a fractional quantum Hall state. This and other odd-denominator states unexpectedly break particle-hole symmetry. Specifically, we find that the relative magnitudes of the energy gaps of the ν =3 +1 /3 and 3 +1 /5 states from the upper spin branch are reversed when compared to the ν =2 +1 /3 and 2 +1 /5 counterpart states in the lower spin branch. Our findings raise the possibility that at least one of the former states is of an unusual topological order.

Incoherent vs. coherent behavior in the normal state of copper oxide superconductors

NASA Technical Reports Server (NTRS)

Tesanovic, Zlatko

1991-01-01

The self-consistent quantum fluctuations around the mean-field Hartree-Fock state of the Hubbard model provide a very good description of the ground state and low temperature properties of a 2-D itinerant antiferromagnet. Very good agreement with numerical calculations and experimental data is obtained by including the one- and two-loop spin wave corrections to various physical quantities. In particular, the destruction of the long-range order above the Neel temperature can be understood as a spontaneous generation of a length-scale epsilon(T), which should be identified as the spin correlation length. For finite doping, the question of the Hartree-Fock starting point becomes a more complex one since an extra hole tends to self-trap in antiferromagnetic background. Such quantum defects in an underlying antiferromagnetic state can be spin-bags or vortex-like structures and tend to suppress the long-range order. If motion of the holes occurs on a time-scale shorter than the one associated with the motion of these quantum defects of a spin background, one obtains several important empirical features of the normal state of CuO superconductors like linear T-dependence of resistivity, the cusp in the tunneling density of states, etc. As opposed to a familiar Fermi-liquid behavior, the phenomenology of the above system is dominated by a large incoherent piece of a single hole propagator, resulting in many unusual normal state properties.

Second order kinetic theory of parallel momentum transport in collisionless drift wave turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yang, E-mail: lyang13@mails.tsinghua.edu.cn; Southwestern Institute of Physics, Chengdu 610041; Gao, Zhe

A second order kinetic model for turbulent ion parallel momentum transport is presented. A new nonresonant second order parallel momentum flux term is calculated. The resonant component of the ion parallel electrostatic force is the momentum source, while the nonresonant component of the ion parallel electrostatic force compensates for that of the nonresonant second order parallel momentum flux. The resonant component of the kinetic momentum flux can be divided into three parts, including the pinch term, the diffusive term, and the residual stress. By reassembling the pinch term and the residual stress, the residual stress can be considered as amore » pinch term of parallel wave-particle resonant velocity, and, therefore, may be called as “resonant velocity pinch” term. Considering the resonant component of the ion parallel electrostatic force is the transfer rate between resonant ions and waves (or, equivalently, nonresonant ions), a conservation equation of the parallel momentum of resonant ions and waves is obtained.« less

Vestigial nematicity from spin and/or charge order in the cuprates

DOE PAGES

Nie, Laimei; Maharaj, Akash V.; Fradkin, Eduardo; ...

2017-08-01

Nematic order has manifested itself in a variety of materials in the cuprate family. We propose an effective field theory of a layered system with incommensurate, intertwined spin- and charge-density wave (SDW and CDW) orders, each of which consists of two components related by C4 rotations. Using a variational method (which is exact in a large N limit), we study the development of nematicity from partially melting those density waves by either increasing temperature or adding quenched disorder. As temperature decreases we first find a transition to a nematic phase, but depending on the range of parameters (e.g. doping concentration)more » the strongest fluctuations associated with this phase reflect either proximate SDW or CDW order. We also discuss the changes in parameters that can account for the differences in the SDW-CDW interplay between the (214) family and the other hole-doped cuprates.« less

A Spiral Spin-Echo MR Imaging Technique for Improved Flow Artifact Suppression in T1-Weighted Postcontrast Brain Imaging: A Comparison with Cartesian Turbo Spin-Echo.

PubMed

Li, Z; Hu, H H; Miller, J H; Karis, J P; Cornejo, P; Wang, D; Pipe, J G

2016-04-01

A challenge with the T1-weighted postcontrast Cartesian spin-echo and turbo spin-echo brain MR imaging is the presence of flow artifacts. Our aim was to develop a rapid 2D spiral spin-echo sequence for T1-weighted MR imaging with minimal flow artifacts and to compare it with a conventional Cartesian 2D turbo spin-echo sequence. T1-weighted brain imaging was performed in 24 pediatric patients. After the administration of intravenous gadolinium contrast agent, a reference Cartesian TSE sequence with a scanning time of 2 minutes 30 seconds was performed, followed by the proposed spiral spin-echo sequence with a scanning time of 1 minutes 18 seconds, with similar spatial resolution and volumetric coverage. The results were reviewed independently and blindly by 3 neuroradiologists. Scores from a 3-point scale were assigned in 3 categories: flow artifact reduction, subjective preference, and lesion conspicuity, if any. The Wilcoxon signed rank test was performed to evaluate the reviewer scores. The t test was used to evaluate the SNR. The Fleiss κ coefficient was calculated to examine interreader agreement. In 23 cases, spiral spin-echo was scored over Cartesian TSE in flow artifact reduction (P < .001). In 21 cases, spiral spin-echo was rated superior in subjective preference (P < .001). Ten patients were identified with lesions, and no statistically significant difference in lesion conspicuity was observed between the 2 sequences. There was no statistically significant difference in SNR between the 2 techniques. The Fleiss κ coefficient was 0.79 (95% confidence interval, 0.65-0.93). The proposed spiral spin-echo pulse sequence provides postcontrast images with minimal flow artifacts at a faster scanning time than its Cartesian TSE counterpart. © 2016 by American Journal of Neuroradiology.

Quantum spin chains with multiple dynamics

NASA Astrophysics Data System (ADS)

Chen, Xiao; Fradkin, Eduardo; Witczak-Krempa, William

2017-11-01

Many-body systems with multiple emergent time scales arise in various contexts, including classical critical systems, correlated quantum materials, and ultracold atoms. We investigate such nontrivial quantum dynamics in a different setting: a spin-1 bilinear-biquadratic chain. It has a solvable entangled ground state, but a gapless excitation spectrum that is poorly understood. By using large-scale density matrix renormalization group simulations, we find that the lowest excitations have a dynamical exponent z that varies from 2 to 3.2 as we vary a coupling in the Hamiltonian. We find an additional gapless mode with a continuously varying exponent 2 ≤z <2.7 , which establishes the presence of multiple dynamics. In order to explain these striking properties, we construct a continuum wave function for the ground state, which correctly describes the correlations and entanglement properties. We also give a continuum parent Hamiltonian, but show that additional ingredients are needed to capture the excitations of the chain. By using an exact mapping to the nonequilibrium dynamics of a classical spin chain, we find that the large dynamical exponent is due to subdiffusive spin motion. Finally, we discuss the connections to other spin chains and to a family of quantum critical models in two dimensions.

Antiferromagnetic domain wall as spin wave polarizer and retarder.

PubMed

Lan, Jin; Yu, Weichao; Xiao, Jiang

2017-08-02

As a collective quasiparticle excitation of the magnetic order in magnetic materials, spin wave, or magnon when quantized, can propagate in both conducting and insulating materials. Like the manipulation of its optical counterpart, the ability to manipulate spin wave polarization is not only important but also fundamental for magnonics. With only one type of magnetic lattice, ferromagnets can only accommodate the right-handed circularly polarized spin wave modes, which leaves no freedom for polarization manipulation. In contrast, antiferromagnets, with two opposite magnetic sublattices, have both left and right-circular polarizations, and all linear and elliptical polarizations. Here we demonstrate theoretically and confirm by micromagnetic simulations that, in the presence of Dzyaloshinskii-Moriya interaction, an antiferromagnetic domain wall acts naturally as a spin wave polarizer or a spin wave retarder (waveplate). Our findings provide extremely simple yet flexible routes toward magnonic information processing by harnessing the polarization degree of freedom of spin wave.Spin waves are promising candidates as carriers for energy-efficient information processing, but they have not yet been fully explored application wise. Here the authors theoretically demonstrate that antiferromagnetic domain walls are naturally spin wave polarizers and retarders, two key components of magnonic devices.

Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies.

PubMed

Franck, John M; Chandrasekaran, Siddarth; Dzikovski, Boris; Dunnam, Curt R; Freed, Jack H

2015-06-07

The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane, vesicles can be observed. These 2D ELDOR experiments are performed as a function of mixing time, Tm, i.e., the time between the second and third π/2 pulses, which provides a third dimension. In fact, a fourth dimension may be added by varying the ESR frequency/magnetic field combination. Therefore, (3) it is shown how continuous-wave multifrequency ESR studies enable the decomposition of complex dynamics of, e.g., proteins by virtue of their respective time scales. These studies motivate our current efforts that are directed to extend 2D ELDOR to higher frequencies, 95 GHz in particular (from 9 and 17 GHz), in order to enable multi-frequency 2D ELDOR. This required the development of quasi-optical methods for performing the mm-wave experiments, which are summarized. We demonstrate state-of-the-art 95 GHz 2D ELDOR spectroscopy through its ability to resolve the two signals from a spin probe dissolved in both the lipid phase and the coexisting aqueous phase. As current 95 GHz experiments are restricted by limited spectral coverage of the π/2 pulse, as well as the very short T2 relaxation times of the electron spins, we discuss how these limitations are being addressed.

Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

NASA Astrophysics Data System (ADS)

Franck, John M.; Chandrasekaran, Siddarth; Dzikovski, Boris; Dunnam, Curt R.; Freed, Jack H.

2015-06-01

The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane, vesicles can be observed. These 2D ELDOR experiments are performed as a function of mixing time, Tm, i.e., the time between the second and third π/2 pulses, which provides a third dimension. In fact, a fourth dimension may be added by varying the ESR frequency/magnetic field combination. Therefore, (3) it is shown how continuous-wave multifrequency ESR studies enable the decomposition of complex dynamics of, e.g., proteins by virtue of their respective time scales. These studies motivate our current efforts that are directed to extend 2D ELDOR to higher frequencies, 95 GHz in particular (from 9 and 17 GHz), in order to enable multi-frequency 2D ELDOR. This required the development of quasi-optical methods for performing the mm-wave experiments, which are summarized. We demonstrate state-of-the-art 95 GHz 2D ELDOR spectroscopy through its ability to resolve the two signals from a spin probe dissolved in both the lipid phase and the coexisting aqueous phase. As current 95 GHz experiments are restricted by limited spectral coverage of the π/2 pulse, as well as the very short T2 relaxation times of the electron spins, we discuss how these limitations are being addressed.

Free radical kinetics on irradiated fennel

NASA Astrophysics Data System (ADS)

Yamaoki, Rumi; Kimura, Shojiro; Ohta, Masatoshi

2008-09-01

Herein, an electron spin resonance study on the behavior of organic radicals in fennel before and after irradiation is reported. The spectrum of irradiated fennel composed of the spectrum component derived from the un-irradiated sample (near g=2.005) and the spectra components derived from carbohydrates. The time decay of intensity spectral components was well explained by first-order kinetics with a variety of rate constants. Especially, the signal at near g=2.02 ascribed to stable cellulose-derivative components is expected to be a good indicator in the identification of irradiated plant samples.

Discrimination of radiation quality through second harmonic out-of-phase cw-ESR detection.

PubMed

Marrale, Maurizio; Longo, Anna; Brai, Maria; Barbon, Antonio; Brustolon, Marina

2014-02-01

The ability to discriminate the quality of ionizing radiation is important because the biological effects produced in tissue strongly depends on both absorbed dose and linear energy transfer (LET) of ionizing particles. Here we present an experimental electron spin resonance (ESR) analysis aimed at discriminating the effective LETs of various radiation beams (e.g., 19.3 MeV protons, (60)Co photons and thermal neutrons). The measurement of the intensities of the continuous wave spectrometer signal channel first harmonic in-phase and the second harmonic out-of-phase components are used to distinguish the radiation quality. A computational analysis, was carried out to evaluate the dependence of the first harmonic in-phase and second harmonic out-of-phase components on microwave power, modulation amplitude and relaxation times, and highlights that these components could be used to point out differences in the relaxation times. On the basis of this numerical analysis the experimental results are discussed. The methodology described in this study has the potential to provide information on radiation quality.

Full-gap superconductivity in spin-polarised surface states of topological semimetal β-PdBi2.

PubMed

Iwaya, K; Kohsaka, Y; Okawa, K; Machida, T; Bahramy, M S; Hanaguri, T; Sasagawa, T

2017-10-17

A bulk superconductor possessing a topological surface state at the Fermi level is a promising system to realise long-sought topological superconductivity. Although several candidate materials have been proposed, experimental demonstrations concurrently exploring spin textures and superconductivity at the surface have remained elusive. Here we perform spectroscopic-imaging scanning tunnelling microscopy on the centrosymmetric superconductor β-PdBi 2 that hosts a topological surface state. By combining first-principles electronic-structure calculations and quasiparticle interference experiments, we determine the spin textures at the surface, and show not only the topological surface state but also all other surface bands exhibit spin polarisations parallel to the surface. We find that the superconducting gap fully opens in all the spin-polarised surface states. This behaviour is consistent with a possible spin-triplet order parameter expected for such in-plane spin textures, but the observed superconducting gap amplitude is comparable to that of the bulk, suggesting that the spin-singlet component is predominant in β-PdBi 2 .Although several materials have been proposed as topological superconductors, spin textures and superconductivity at the surface remain elusive. Here, Iwaya et al. determine the spin textures at the surface of a superconductor β-PdBi 2 and find the superconducting gap opening in all spin-polarised surface states.

Enhanced moments of Eu in single crystals of the metallic helical antiferromagnet EuCo2 -yAs2

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Anand, V. K.; Cuervo-Reyes, Eduardo; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-04-01

The compound EuCo2 -yAs2 with the tetragonal ThCr2Si2 structure is known to contain Eu+2 ions with spin S =7/2 that order below a temperature TN≈47 K into an antiferromagnetic (AFM) proper helical structure with the ordered moments aligned in the tetragonal a b plane, perpendicular to the helix axis along the c axis, with no contribution from the Co atoms. Here we carry out a detailed investigation of the properties of single crystals. We consistently find about 5% vacancies on the Co site from energy-dispersive x-ray analysis and x-ray diffraction refinements. Enhanced ordered and effective moments of the Eu spins are found in most of our crystals. Electronic structure calculations indicate that the enhanced moments arise from polarization of the d bands, as occurs in ferromagnetic Gd metal. Electrical resistivity measurements indicate metallic behavior. The low-field in-plane magnetic susceptibilities χa b(T

First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction

NASA Astrophysics Data System (ADS)

Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing

2017-05-01

In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

Perturbation expansions of stochastic wavefunctions for open quantum systems

NASA Astrophysics Data System (ADS)

Ke, Yaling; Zhao, Yi

2017-11-01

Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.

Multiple-Quantum Transitions and Charge-Induced Decoherence of Donor Nuclear Spins in Silicon

NASA Astrophysics Data System (ADS)

Franke, David P.; Pflüger, Moritz P. D.; Itoh, Kohei M.; Brandt, Martin S.

2017-06-01

We study single- and multiquantum transitions of the nuclear spins of an ensemble of ionized arsenic donors in silicon and find quadrupolar effects on the coherence times, which we link to fluctuating electrical field gradients present after the application of light and bias voltage pulses. To determine the coherence times of superpositions of all orders in the 4-dimensional Hilbert space, we use a phase-cycling technique and find that, when electrical effects were allowed to decay, these times scale as expected for a fieldlike decoherence mechanism such as the interaction with surrounding Si 29 nuclear spins.

Slater insulator in iridate perovskites with strong spin-orbit coupling

DOE PAGES

Cui, Q.; Cheng, J. -G.; Fan, W.; ...

2016-10-20

The perovskite SrIrO 3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn 4+ for Ir 4+ in the SrIr 1–xSn xO 3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T N ≥ 225 K. The continuous change of the cell volume as detected by x-ray diffractionmore » and the λ-shape transition of the specific heat on cooling through T N demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type- G AF spin ordering below T N. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. Furthermore, a reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T N in the same way as proposed by Slater.« less

Amplitude Excitations in a Symmetry-Breaking Quantum Phase Transition

NASA Astrophysics Data System (ADS)

Boguslawski, Matthew; H M, Bharath; Barrios, Maryrose; Chapman, Michael

Quantum phase transitions (QPT) can be characterized using a local order parameter. In a symmetry-breaking phase transition, this order parameter spontaneously breaks one or more of the symmetries of the Hamiltonian while crossing the quantum critical point (QCP). A spin-1 Bose Einstein condensate, in a single spatial mode, undergoes a QPT when the applied magnetic field is quenched through a critical value. The transverse spin component is an order parameter characterizing this QPT. It shares a U(1)Ã'SO(2) symmetry with the Hamiltonian, but one of these two symmetries is broken when the system is quenched through the QCP. As a result, two massless, coupled phonon-magnon modes are present along with a single massive, or Higgs-like mode which has the form of amplitude excitations of the order parameter. Here, we experimentally characterize this phase transition and the resulting amplitude excitations by inducing coherent oscillation in the spin population. We further use the amplitude oscillations to measure the energy gap between the ground state and the first excited state for different phases of the QPT. At the QCP, finite size effects lead to a non-zero gap, and our measurements are consistent with this prediction.

Strain-Induced Spin-Resonance Shifts in Silicon Devices

NASA Astrophysics Data System (ADS)

Pla, J. J.; Bienfait, A.; Pica, G.; Mansir, J.; Mohiyaddin, F. A.; Zeng, Z.; Niquet, Y. M.; Morello, A.; Schenkel, T.; Morton, J. J. L.; Bertet, P.

2018-04-01

In spin-based quantum-information-processing devices, the presence of control and detection circuitry can change the local environment of a spin by introducing strain and electric fields, altering its resonant frequencies. These resonance shifts can be large compared to intrinsic spin linewidths, and it is therefore important to study, understand, and model such effects in order to better predict device performance. We investigate a sample of bismuth donor spins implanted in a silicon chip, on top of which a superconducting aluminum microresonator is fabricated. The on-chip resonator provides two functions: it produces local strain in the silicon due to the larger thermal contraction of the aluminum, and it enables sensitive electron spin-resonance spectroscopy of donors close to the surface that experience this strain. Through finite-element strain simulations, we are able to reconstruct key features of our experiments, including the electron spin-resonance spectra. Our results are consistent with a recently observed mechanism for producing shifts of the hyperfine interaction for donors in silicon, which is linear with the hydrostatic component of an applied strain.

Atomic-scale inversion of spin polarization at an organic-antiferromagnetic interface

NASA Astrophysics Data System (ADS)

Caffrey, Nuala M.; Ferriani, Paolo; Marocchi, Simone; Heinze, Stefan

2013-10-01

Using first-principles calculations, we show that the magnetic properties of a two-dimensional antiferromagnetic transition-metal surface are modified on the atomic scale by the adsorption of small organic molecules. We consider benzene (C6H6), cyclooctatetraene (C8H8), and a small transition-metal-benzene complex (BzV) adsorbed on a single atomic layer of Mn deposited on the W(110) surface—a surface which exhibits a nearly antiferromagnetic alignment of the magnetic moments in adjacent Mn rows. Due to the spin dependent hybridization of the molecular pz orbitals with the d states of the Mn monolayer, there is a significant reduction of the magnetic moments in the Mn film. Furthermore, the spin polarization at this organic-antiferromagnetic interface is found to be modulated on the atomic scale, both enhanced and inverted, as a result of the molecular adsorption. We show that this effect can be resolved by spin-polarized scanning tunneling microscopy (SP-STM). Our simulated SP-STM images display a spatially dependent spin resolved vacuum charge density above an adsorbed molecule—i.e., different regions above the molecule sustain different signs of spin polarization. While states with s and p symmetry dominate the vacuum charge density in the vicinity of the Fermi energy for the clean magnetic surface, we demonstrate that after a molecule is adsorbed those d states, which are normally suppressed due to their symmetry, can play a crucial role in the vacuum due to their interaction with the molecular orbitals. We also model the effect of small deviations from perfect antiferromagnetic ordering, induced by the slight canting of magnetic moments due to the spin spiral ground state of Mn/W(110).

Generalisation of Gilbert damping and magnetic inertia parameter as a series of higher-order relativistic terms

NASA Astrophysics Data System (ADS)

Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M.

2018-07-01

The phenomenological Landau–Lifshitz–Gilbert (LLG) equation of motion remains as the cornerstone of contemporary magnetisation dynamics studies, wherein the Gilbert damping parameter has been attributed to first-order relativistic effects. To include magnetic inertial effects the LLG equation has previously been extended with a supplemental inertia term; the arising inertial dynamics has been related to second-order relativistic effects. Here we start from the relativistic Dirac equation and, performing a Foldy–Wouthuysen transformation, derive a generalised Pauli spin Hamiltonian that contains relativistic correction terms to any higher order. Using the Heisenberg equation of spin motion we derive general relativistic expressions for the tensorial Gilbert damping and magnetic inertia parameters, and show that these tensors can be expressed as series of higher-order relativistic correction terms. We further show that, in the case of a harmonic external driving field, these series can be summed and we provide closed analytical expressions for the Gilbert and inertial parameters that are functions of the frequency of the driving field.

Generalisation of Gilbert damping and magnetic inertia parameter as a series of higher-order relativistic terms.

PubMed

Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M

2018-05-17

The phenomenological Landau-Lifshitz-Gilbert (LLG) equation of motion remains as the cornerstone of contemporary magnetisation dynamics studies, wherein the Gilbert damping parameter has been attributed to first-order relativistic effects. To include magnetic inertial effects the LLG equation has previously been extended with a supplemental inertia term; the arising inertial dynamics has been related to second-order relativistic effects. Here we start from the relativistic Dirac equation and, performing a Foldy-Wouthuysen transformation, derive a generalised Pauli spin Hamiltonian that contains relativistic correction terms to any higher order. Using the Heisenberg equation of spin motion we derive general relativistic expressions for the tensorial Gilbert damping and magnetic inertia parameters, and show that these tensors can be expressed as series of higher-order relativistic correction terms. We further show that, in the case of a harmonic external driving field, these series can be summed and we provide closed analytical expressions for the Gilbert and inertial parameters that are functions of the frequency of the driving field.

Optical studies of current-induced magnetization switching and photonic quantum states

NASA Astrophysics Data System (ADS)

Lorenz, Virginia

2017-04-01

The ever-decreasing size of electronic components is leading to a fundamental change in the way computers operate, as at the few-nanometer scale, resistive heating and quantum mechanics prohibit efficient and stable operation. One of the most promising next-generation computing paradigms is Spintronics, which uses the spin of the electron to manipulate and store information in the form of magnetic thin films. I will present our optical studies of the fundamental mechanisms by which we can efficiently manipulate magnetization using electrical current. Although electron spin is a quantum-mechanical property, Spintronics relies on macroscopic magnetization and thus does not take advantage of quantum mechanics in the algorithms used to encode and transmit information. For the second part of my talk, I will present our work under the umbrella of new computing and communication technologies based on the quantum mechanical properties of photons. Quantum technologies often require the carriers of information, or qubits, to have specific properties. Photonic quantum states are good information carriers because they travel fast and are robust to environmental fluctuations, but characterizing and controlling photonic sources so the photons have just the right properties is still a challenge. I will describe our work towards enabling quantum-physics-based secure long-distance communication using photons.

Current-driven second-harmonic domain wall resonance in ferromagnetic metal/nonmagnetic metal bilayers: A field-free method for spin Hall angle measurements

NASA Astrophysics Data System (ADS)

Hajiali, M. R.; Hamdi, M.; Roozmeh, S. E.; Mohseni, S. M.

2017-10-01

We study the ac current-driven domain wall motion in bilayer ferromagnetic metal (FM)/nonmagnetic metal (NM) nanowires. The solution of the modified Landau-Lifshitz-Gilbert equation including all the spin transfer torques is used to describe motion of the domain wall in the presence of the spin Hall effect. We show that the domain wall center has a second-harmonic frequency response in addition to the known first-harmonic excitation. In contrast to the experimentally observed second-harmonic response in harmonic Hall measurements of spin-orbit torque in magnetic thin films, this second-harmonic response directly originates from spin-orbit torque driven domain wall dynamics. Based on the spin current generated by domain wall dynamics, the longitudinal spin motive force generated voltage across the length of the nanowire is determined. The second-harmonic response introduces additionally a practical field-free and all-electrical method to probe the effective spin Hall angle for FM/NM bilayer structures that could be applied in experiments. Our results also demonstrate the capability of utilizing FM/NM bilayer structures in domain wall based spin-torque signal generators and resonators.

Field induced phase transition in layered honeycomb spin system α-RuCl3 studied by thermal conductivity

NASA Astrophysics Data System (ADS)

Leahy, Ian; Bornstein, Alex; Choi, Kwang-Yong; Lee, Minhyea

α -RuCl3, a quasi -two-dimensional honeycomb lattice is known to be a candidate material to realize the Heisenberg-Kitaev spin model of a highly anisotropic bond-dependent exchange interaction. We investigate in-plane thermal conductivity (κ) as a function of temperature (T) and in-plane applied field (H). At H = 0 , the onset of a strong increase in κ marks the spontaneous long range ordering temperature, Tc = 6 . 5 K , corresponding to ``zigzag'' antiferromagnetic ordering. A broad peak appearing below Tc in κ was found to be suppressed significantly as H increases up to ~ 7 T , implying the system undergoes a field-induced transition from ordered to a new spin-disordered state analogous to the transverse-field Ising model. Further increasing H above 7 . 1 T , the large field seems to begin polarizing spins thus increasing the phonon mean free path, resulting in a significant rise in κ. This tendency is clearly shown in the field dependence of κ below Tc, which has a pronounced minimum at Hmin = 7 . 1 T . We will discuss our scaling analysis to characterize this field-induced phase transition and compare to the transverse-field Ising spin system. Work at the University of Colorado was supported by the US DOE Basic Energy Sciences under Award No. DE-SC0006888.

Half-metallicity at the (110) interface between a full Heusler alloy and GaAs

NASA Astrophysics Data System (ADS)

Nagao, Kazutaka; Miura, Yoshio; Shirai, Masafumi

2006-03-01

The electronic properties of Co2CrAl/GaAs interfaces are investigated by using first-principles calculations with density functional theory. It is found that spin polarization tends to remain relatively high at the (110) interface and reaches almost unity for a specific (110) interfacial structure. Furthermore, the nearly-half-metallic interface turns out to be the most stable of the (110) interfacial structures studied here. Spin polarization calculated only from the sp -projected density of states is also examined in order to eliminate the effects stemming from the localized d components. The analysis shows that the high spin polarization at the (110) interface owes little to the localized d component and, therefore, is expected to be fairly relevant to transport properties. Co2CrSi/GaAs , Co2MnSi/GaAs , and Co2MnGe/GaAs heterostructures are also investigated, and similar half-metal-like behavior at (110) interface is observed for all of them.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ko, L.F.

Calculations for the two-point correlation functions in the scaling limit for two statistical models are presented. In Part I, the Ising model with a linear defect is studied for T < T/sub c/ and T > T/sub c/. The transfer matrix method of Onsager and Kaufman is used. The energy-density correlation is given by functions related to the modified Bessel functions. The dispersion expansion for the spin-spin correlation functions are derived. The dominant behavior for large separations at T not equal to T/sub c/ is extracted. It is shown that these expansions lead to systems of Fredholm integral equations. Inmore » Part II, the electric correlation function of the eight-vertex model for T < T/sub c/ is studied. The eight vertex model decouples to two independent Ising models when the four spin coupling vanishes. To first order in the four-spin coupling, the electric correlation function is related to a three-point function of the Ising model. This relation is systematically investigated and the full dispersion expansion (to first order in four-spin coupling) is obtained. The results is a new kind of structure which, unlike those of many solvable models, is apparently not expressible in terms of linear integral equations.« less

Circular-Polarization-Selective Transmission Induced by Spin-Orbit Coupling in a Helical Tape Waveguide

NASA Astrophysics Data System (ADS)

Liu, Yahong; Guo, Qinghua; Liu, Hongchao; Liu, Congcong; Song, Kun; Yang, Biao; Hou, Quanwen; Zhao, Xiaopeng; Zhang, Shuang; Navarro-Cía, Miguel

2018-05-01

Spin-orbit coupling of light, describing the interaction between the polarization (spin) and spatial degrees of freedom (orbit) of light, plays an important role in subwavelength scale systems and leads to many interesting phenomena, such as the spin Hall effect of light. Here, based on the spin-orbit coupling, we design and fabricate a helical tape waveguide (HTW), which can realize a circular-polarization-selective process. When the incident circularly polarized wave is of the same handedness as the helix of the HTW, a nearly complete transmission is observed; in contrast, a counterrotating circular polarization of incident wave results in a much lower transmission or is even totally blocked by the HTW. Indeed, both simulations and experiments reveal that the blocked component of power leaks through the helical aperture of the HTW and forms a conical beam analogous to helical Cherenkov radiation due to the conversion from the spin angular momentum to the orbital angular momentum. Our HTW structure demonstrates its potential as a polarization selector in a broadband frequency range.

Correlated states in β-Li 2IrO 3 driven by applied magnetic fields

DOE PAGES

Ruiz, Alejandro; Frano, Alex; Breznay, Nicholas P.; ...

2017-10-16

Magnetic honeycomb iridates are thought to show strongly spin-anisotropic exchange interactions which, when highly frustrated, lead to an exotic state of matter known as the Kitaev quantum spin liquid. However, in all known examples these materials magnetically order at finite temperatures, the scale of which may imply weak frustration. Here we show that the application of a relatively small magnetic field drives the three-dimensional magnet β-Li 2IrO 3 from its incommensurate ground state into a quantum correlated paramagnet. Interestingly, this paramagnetic state admixes a zig-zag spin mode analogous to the zig-zag order seen in other Mott-Kitaev compounds. The rapid onsetmore » of the field-induced correlated state implies the exchange interactions are delicately balanced, leading to strong frustration and a near degeneracy of different ground states.« less

Evidence for coexisting magnetic order in frustrated three-dimensional honeycomb iridates Li2IrO3

NASA Astrophysics Data System (ADS)

Breznay, Nicholas; Ruiz, Alejandro; Frano, Alex; Analytis, James

The search for unconventional magnetism has found a fertile hunting ground in 5d iridium oxide (iridate) materials. The competition between coulomb, spin-orbit, and crystal field energy scales in honeycomb iridates leads to a quantum magnetic system with localized spin-1/2 moments communicating through spin-anisotropic Kitaev exchange interactions. Although early and ongoing work has focused on layered two-dimensional honeycomb compounds such as Na2IrO3 and a 4d analog, RuCl3, recently discovered polytypes of Li2IrO3 take on three-dimensional honeycomb structures. Bulk thermodynamic studies, as well as recent resonant x-ray diffraction and absorption spectroscopy experiments, have uncovered a rich phase diagram for these three-dimensional honeycomb iridates. Low temperature incommensurate and commensurate magnetic orders can be stabilized by tuning the applied magnetic field, displaying a delicate coexistence that signals highly frustrated magnetism.

Noncollinear magnetic ordering in a frustrated magnet: Metallic regime and the role of frustration

NASA Astrophysics Data System (ADS)

Shahzad, Munir; Sengupta, Pinaki

2017-12-01

We explore the magnetic phases in a Kondo lattice model on the geometrically frustrated Shastry-Sutherland lattice at metallic electron densities, searching for noncollinear and noncoplanar spin textures. Motivated by experimental observations in many rare-earth-based frustrated metallic magnets, we treat the local moments as classical spins and set the coupling between the itinerant electrons and local moments as the largest energy scale in the problem. Our results show that a noncollinear flux state is stabilized over an extended range of Hamiltonian parameters. These spin states can be quenched efficiently by external fields like temperature and magnetic field as well as by varying the degree of frustration in the electronic itinerancy and exchange coupling between local moments. Interestingly, unlike insulating electron densities that we discussed in paper I of this sequence, a Dzyaloshinskii-Moriya interaction between the local moments is not essential for the emergence of their noncollinear ordering.

Differential effects of exogenous and endogenous attention on second-order texture contrast sensitivity

PubMed Central

Barbot, Antoine; Landy, Michael S.; Carrasco, Marisa

2012-01-01

The visual system can use a rich variety of contours to segment visual scenes into distinct perceptually coherent regions. However, successfully segmenting an image is a computationally expensive process. Previously we have shown that exogenous attention—the more automatic, stimulus-driven component of spatial attention—helps extract contours by enhancing contrast sensitivity for second-order, texture-defined patterns at the attended location, while reducing sensitivity at unattended locations, relative to a neutral condition. Interestingly, the effects of exogenous attention depended on the second-order spatial frequency of the stimulus. At parafoveal locations, attention enhanced second-order contrast sensitivity to relatively high, but not to low second-order spatial frequencies. In the present study we investigated whether endogenous attention—the more voluntary, conceptually-driven component of spatial attention—affects second-order contrast sensitivity, and if so, whether its effects are similar to those of exogenous attention. To that end, we compared the effects of exogenous and endogenous attention on the sensitivity to second-order, orientation-defined, texture patterns of either high or low second-order spatial frequencies. The results show that, like exogenous attention, endogenous attention enhances second-order contrast sensitivity at the attended location and reduces it at unattended locations. However, whereas the effects of exogenous attention are a function of the second-order spatial frequency content, endogenous attention affected second-order contrast sensitivity independent of the second-order spatial frequency content. This finding supports the notion that both exogenous and endogenous attention can affect second-order contrast sensitivity, but that endogenous attention is more flexible, benefitting performance under different conditions. PMID:22895879

First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments.

PubMed

Deutsch, Maxime; Gillon, Béatrice; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Souhassou, Mohamed

2014-05-01

Since the 1980s it has been possible to probe crystallized matter, thanks to X-ray or neutron scattering techniques, to obtain an accurate charge density or spin distribution at the atomic scale. Despite the description of the same physical quantity (electron density) and tremendous development of sources, detectors, data treatment software etc., these different techniques evolved separately with one model per experiment. However, a breakthrough was recently made by the development of a common model in order to combine information coming from all these different experiments. Here we report the first experimental determination of spin-resolved electron density obtained by a combined treatment of X-ray, neutron and polarized neutron diffraction data. These experimental spin up and spin down densities compare very well with density functional theory (DFT) calculations and also confirm a theoretical prediction made in 1985 which claims that majority spin electrons should have a more contracted distribution around the nucleus than minority spin electrons. Topological analysis of the resulting experimental spin-resolved electron density is also briefly discussed.

Predictors of burnout among correctional mental health professionals.

PubMed

Gallavan, Deanna B; Newman, Jody L

2013-02-01

This study focused on the experience of burnout among a sample of correctional mental health professionals. We examined the relationship of a linear combination of optimism, work family conflict, and attitudes toward prisoners with two dimensions derived from the Maslach Burnout Inventory and the Professional Quality of Life Scale. Initially, three subscales from the Maslach Burnout Inventory and two subscales from the Professional Quality of Life Scale were subjected to principal components analysis with oblimin rotation in order to identify underlying dimensions among the subscales. This procedure resulted in two components accounting for approximately 75% of the variance (r = -.27). The first component was labeled Negative Experience of Work because it seemed to tap the experience of being emotionally spent, detached, and socially avoidant. The second component was labeled Positive Experience of Work and seemed to tap a sense of competence, success, and satisfaction in one's work. Two multiple regression analyses were subsequently conducted, in which Negative Experience of Work and Positive Experience of Work, respectively, were predicted from a linear combination of optimism, work family conflict, and attitudes toward prisoners. In the first analysis, 44% of the variance in Negative Experience of Work was accounted for, with work family conflict and optimism accounting for the most variance. In the second analysis, 24% of the variance in Positive Experience of Work was accounted for, with optimism and attitudes toward prisoners accounting for the most variance.

Magnetospheric Multiscale (MMS) Mission Attitude Ground System Design

NASA Technical Reports Server (NTRS)

Sedlak, Joseph E.; Superfin, Emil; Raymond, Juan C.

2010-01-01

This paper describes the attitude ground system (AGS) design to be used for support of the Magnetospheric MultiScale (MMS) mission. The AGS exists as one component of the mission operations control center. It has responsibility for validating the onboard attitude and accelerometer bias estimates, calibrating the attitude sensors and the spacecraft inertia tensor, and generating a definitive attitude history for use by the science teams. NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland is responsible for developing the MMS spacecraft, for the overall management of the MMS mission, and for mission operations. MMS is scheduled for launch in 2014 for a planned two-year mission. The MMS mission consists of four identical spacecraft flying in a tetrahedral formation in an eccentric Earth orbit. The relatively tight formation, ranging from 10 to 400 km, will provide coordinated observations giving insight into small-scale magnetic field reconnection processes. By varying the size of the tetrahedron and the orbital semi-major axis and eccentricity, and making use of the changing solar phase, this geometry allows for the study of both bow shock and magnetotail plasma physics, including acceleration, reconnection, and turbulence. The mission divides into two phases for science; these phases will have orbit dimensions of 1.2 x 12 Earth radii in the first phase and 1.2x25 Earth radii in the second in order to study the dayside magnetopause and the nightside magnetotail, respectively. The orbital periods are roughly one day and three days for the two mission phases. Each of the four MMS spacecraft will be spin stabilized at 3 revolutions per minute (rpm), with the spin axis oriented near the ecliptic north pole but tipped approximately 2.5 deg towards the Sun line. The main body of each spacecraft will be an eight-sided platform with diameter of 3.4 m and height of 1.2 m. Several booms are attached to this central core: two axial booms of 14.9 m length, two radial magnetometer booms of 5 m length, and four radial wire booms of 60 m length. Attitude and orbit control will use a set of axial and radial thrusters. A four-head star tracker and a slit-type digital Sun sensor (DSS) provide input for attitude determination. In addition, an accelerometer will be used for closed-loop orbit maneuver control. The primary AGS product will be a daily definitive attitude history. Due to power limitations, the star tracker and accelerometer data will not be available at all times. However, tracker data from at least 10 percent of each orbit and continuous DSS data will be provided. An extended Kalman filter (EKF) will be used to estimate the three-axis attitude (i.e., spin axis orientation and spin phase) and rotation rate for all times when the tracker data is valid. For other times, the attitude is generated by assuming a constant angular momentum vector in the inertial frame. The DSS sun pulse will provide a timing signal to maintain an accurate spin phase. There will be times when the Sun is occulted and DSS data is not available. If this occurs at the start or end of a definitive attitude product, then the spin phase will be extrapolated using the mean rate determined by the EKF.

Magnetospheric Multiscale (MMS) Mission Attitude Ground System Design

NASA Technical Reports Server (NTRS)

Sedlak, Joseph E.; Superfin, Emil; Raymond, Juan C.

2011-01-01

This paper describes the attitude ground system (AGS) design to be used for support of the Magnetospheric MultiScale (MMS) mission. The AGS exists as one component of the mission operations control center. It has responsibility for validating the onboard attitude and accelerometer bias estimates, calibrating the attitude sensors and the spacecraft inertia tensor, and generating a definitive attitude history for use by the science teams. NASA's Goddard Space Flight Center (GSFC) in Greenbelt, Maryland is responsible for developing the MMS spacecraft, for the overall management of the MMS mission, and for mission operations. MMS is scheduled for launch in 2014 for a planned two-year mission. The MMS mission consists of four identical spacecraft flying in a tetrahedral formation in an eccentric Earth orbit. The relatively tight formation, ranging from 10 to 400 km, will provide coordinated observations giving insight into small-scale magnetic field reconnection processes. By varying the size of the tetrahedron and the orbital semi-major axis and eccentricity, and making use of the changing solar phase, this geometry allows for the study of both bow shock and magnetotail plasma physics, including acceleration, reconnection, and turbulence. The mission divides into two phases for science; these phases will have orbit dimensions of l.2xl2 Earth radii in the first phase and l.2x25 Earth radii in the second in order to study the dayside magnetopause and the nightside magnetotail, respectively. The orbital periods are roughly one day and three days for the two mission phases. Each of the four MMS spacecraft will be spin stabilized at 3 revolutions per minute (rpm), with the spin axis oriented near the ecliptic north pole but tipped approximately 2.5 deg towards the Sun line. The main body of each spacecraft will be an eight-sided platform with diameter of 3.4 m and height of 1.2 m. Several booms are attached to this central core: two axial booms of 14.9 m length, two radial magnetometer booms of 5 m length, and four radial -wire booms of 60 m length. Attitude and orbit control will use a set of axial and radial thrusters. A four-head star tracker and a slit-type digital Sun sensor (DSS) provide input for attitude determination. In addition, an accelerometer will be· used for closed-loop orbit maneuver control. The primary AGS product will be a daily definitive attitude history. Due to power limitations; the star tracker and accelerometer data will not be available at all times. However, tracker data from at least 10 percent of each orbit and continuous DSS data will be provided. An extended Kalman filter (EKF) will be used to estimate the three-axis attitude (i.e., spin axis orientation and spin phase) and rotation rate for all times when the tracker data is valid. For other times, the attitude is generated by assuming a constant angular momentum vector in the inertial frame. The DSS sun pulse will provide a timing signal to maintain an accurate spin phase. There will be times when the Sun is occulted and DSS data is not available. If this occurs at the start or end of a definitive attitude product, then the spin phase will be extrapolated using the mean rate determined by the EKF.

Matter rogue waves in an F=1 spinor Bose-Einstein condensate.

PubMed

Qin, Zhenyun; Mu, Gui

2012-09-01

We report new types of matter rogue waves of a spinor (three-component) model of the Bose-Einstein condensate governed by a system of three nonlinearly coupled Gross-Pitaevskii equations. The exact first-order rational solutions containing one free parameter are obtained by means of a Darboux transformation for the integrable system where the mean-field interaction is attractive and the spin-exchange interaction is ferromagnetic. For different choices of the parameter, there exists a variety of different shaped solutions including two peaks in bright rogue waves and four dips in dark rogue waves. Furthermore, by utilizing the relation between the three-component and the one-component versions of the nonlinear Schrödinger equation, we can devise higher-order rational solutions, in which three components have different shapes. In addition, it is noteworthy that dark rogue wave features disappear in the third-order rational solution.

Metastability in the formation of Condon domains

NASA Astrophysics Data System (ADS)

Bakaleinikov, L. A.; Gordon, A.

2018-05-01

Metastability effects in the formation of Condon non-spin magnetic domains are considered. A possibility for the first-order phase transition occurrence in a three-dimensional electron gas is described in the case of two-frequency de-Haas-van Alphen magnetization oscillations originating from two extremal cross sections of the Fermi surface. The appearance of two additional domains is shown in the metastable region in aluminum. The phase diagram temperature-magnetic field exhibits the presence of second-order and first- order phase transitions in the two-frequency case.

Size dependence of spin-torque induced magnetic switching in CoFeB-based perpendicular magnetization tunnel junctions (invited)

NASA Astrophysics Data System (ADS)

Sun, J. Z.; Trouilloud, P. L.; Gajek, M. J.; Nowak, J.; Robertazzi, R. P.; Hu, G.; Abraham, D. W.; Gaidis, M. C.; Brown, S. L.; O'Sullivan, E. J.; Gallagher, W. J.; Worledge, D. C.

2012-04-01

CoFeB-based magnetic tunnel junctions with perpendicular magnetic anisotropy are used as a model system for studies of size dependence in spin-torque-induced magnetic switching. For integrated solid-state memory applications, it is important to understand the magnetic and electrical characteristics of these magnetic tunnel junctions as they scale with tunnel junction size. Size-dependent magnetic anisotropy energy, switching voltage, apparent damping, and anisotropy field are systematically compared for devices with different materials and fabrication treatments. Results reveal the presence of sub-volume thermal fluctuation and reversal, with a characteristic length-scale of the order of approximately 40 nm, depending on the strength of the perpendicular magnetic anisotropy and exchange stiffness. To have the best spin-torque switching efficiency and best stability against thermal activation, it is desirable to optimize the perpendicular anisotropy strength with the junction size for intended use. It also is important to ensure strong exchange-stiffness across the magnetic thin film. These combine to give an exchange length that is comparable or larger than the lateral device size for efficient spin-torque switching.

The design, development, fabrication and testing of two (2) Non-Spin Platforms, (NSP)

NASA Technical Reports Server (NTRS)

1975-01-01

The non spin platform is a means for achieving the very low acceleration requirements for cost effective space processing experiments on research rocket flights. These platforms have a low initial cost, are re-usable and have extremely low refurbishment cost. In order to attain this goal, commercially available components were used and only the necessary quality control standards were imposed. A detailed system description, the very few design problems encountered, the operational procedures (both pre-flight and post-flight), and the maintenance requirements are described.

Many roads to synchrony: natural time scales and their algorithms.

PubMed

James, Ryan G; Mahoney, John R; Ellison, Christopher J; Crutchfield, James P

2014-04-01

We consider two important time scales-the Markov and cryptic orders-that monitor how an observer synchronizes to a finitary stochastic process. We show how to compute these orders exactly and that they are most efficiently calculated from the ε-machine, a process's minimal unifilar model. Surprisingly, though the Markov order is a basic concept from stochastic process theory, it is not a probabilistic property of a process. Rather, it is a topological property and, moreover, it is not computable from any finite-state model other than the ε-machine. Via an exhaustive survey, we close by demonstrating that infinite Markov and infinite cryptic orders are a dominant feature in the space of finite-memory processes. We draw out the roles played in statistical mechanical spin systems by these two complementary length scales.

Beyond Low Rank + Sparse: Multi-scale Low Rank Matrix Decomposition

PubMed Central

Ong, Frank; Lustig, Michael

2016-01-01

We present a natural generalization of the recent low rank + sparse matrix decomposition and consider the decomposition of matrices into components of multiple scales. Such decomposition is well motivated in practice as data matrices often exhibit local correlations in multiple scales. Concretely, we propose a multi-scale low rank modeling that represents a data matrix as a sum of block-wise low rank matrices with increasing scales of block sizes. We then consider the inverse problem of decomposing the data matrix into its multi-scale low rank components and approach the problem via a convex formulation. Theoretically, we show that under various incoherence conditions, the convex program recovers the multi-scale low rank components either exactly or approximately. Practically, we provide guidance on selecting the regularization parameters and incorporate cycle spinning to reduce blocking artifacts. Experimentally, we show that the multi-scale low rank decomposition provides a more intuitive decomposition than conventional low rank methods and demonstrate its effectiveness in four applications, including illumination normalization for face images, motion separation for surveillance videos, multi-scale modeling of the dynamic contrast enhanced magnetic resonance imaging and collaborative filtering exploiting age information. PMID:28450978

Thermodynamic glass transition in a spin glass without time-reversal symmetry

PubMed Central

Baños, Raquel Alvarez; Cruz, Andres; Fernandez, Luis Antonio; Gil-Narvion, Jose Miguel; Gordillo-Guerrero, Antonio; Guidetti, Marco; Iñiguez, David; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor; Monforte-Garcia, Jorge; Muñoz Sudupe, Antonio; Navarro, Denis; Parisi, Giorgio; Perez-Gaviro, Sergio; Ruiz-Lorenzo, Juan Jesus; Schifano, Sebastiano Fabio; Seoane, Beatriz; Tarancon, Alfonso; Tellez, Pedro; Tripiccione, Raffaele; Yllanes, David

2012-01-01

Spin glasses are a longstanding model for the sluggish dynamics that appear at the glass transition. However, spin glasses differ from structural glasses in a crucial feature: they enjoy a time reversal symmetry. This symmetry can be broken by applying an external magnetic field, but embarrassingly little is known about the critical behavior of a spin glass in a field. In this context, the space dimension is crucial. Simulations are easier to interpret in a large number of dimensions, but one must work below the upper critical dimension (i.e., in d < 6) in order for results to have relevance for experiments. Here we show conclusive evidence for the presence of a phase transition in a four-dimensional spin glass in a field. Two ingredients were crucial for this achievement: massive numerical simulations were carried out on the Janus special-purpose computer, and a new and powerful finite-size scaling method. PMID:22493229

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotundu, Costel R.; Wen, Jiajia; He, Wei

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. Here, we performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ~ 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotundu, Costel R.; Wen, Jiajia; He, Wei

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

NASA Astrophysics Data System (ADS)

Rotundu, Costel R.; Wen, Jiajia; He, Wei; Choi, Yongseong; Haskel, Daniel; Lee, Young S.

2018-02-01

The application of pressure reveals a rich phase diagram for the quantum S =1 /2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T =4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ˜6 GPa up to 215 K but possibly extends in temperature to above T =300 K, indicating the possibility of a quantum singlet state at room temperature. Near the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE PAGES

Rotundu, Costel R.; Wen, Jiajia; He, Wei; ...

2018-02-15

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. Here, we performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ~ 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE PAGES

Rotundu, Costel R.; Wen, Jiajia; He, Wei; ...

2018-02-15

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Anisotropic magnetocaloric effect in single crystals of CrI3

NASA Astrophysics Data System (ADS)

Liu, Yu; Petrovic, C.

2018-05-01

We report a systematic investigation of dc magnetization and ac susceptibility, as well as anisotropic magnetocaloric effect in bulk CrI3 single crystals. A second-stage magnetic transition was observed just below the Curie temperature Tc, indicating a two-step magnetic ordering. The low temperature thermal demagnetization could be well fitted by the spin-wave model rather than the single-particle model, confirming its localized magnetism. The maximum magnetic entropy change -Δ SMmax˜5.65 J kg-1K-1 and the corresponding adiabatic temperature change Δ Tad˜2.34 K are achieved from heat capacity analysis with the magnetic field up to 9 T. Anisotropy of Δ SM(T ,H ) was further investigated by isothermal magnetization, showing that the difference of -Δ SMmax between the a b plane and the c axis reaches a maximum value ˜1.56 J kg-1K-1 with the field change of 5 T. With the scaling analysis of Δ SM , the rescaled Δ SM(T ,H ) curves collapse onto a universal curve, indicating a second-order type of the magnetic transition. Furthermore, the -Δ SMmax follows the power law of Hn with n =0.64 (1 ) , and the relative cooling power depends on Hm with m =1.12 (1 ) .

Strongly coupled dark energy with warm dark matter vs. LCDM

NASA Astrophysics Data System (ADS)

Bonometto, S. A.; Mezzetti, M.; Mainini, R.

2017-10-01

Cosmologies including strongly Coupled (SC) Dark Energy (DE) and Warm dark matter (SCDEW) are based on a conformally invariant (CI) attractor solution modifying the early radiative expansion. Then, aside of radiation, a kinetic field Φ and a DM component account for a stationary fraction, ~ 1 %, of the total energy. Most SCDEW predictions are hardly distinguishable from LCDM, while SCDEW alleviates quite a few LCDM conceptual problems, as well as its difficulties to meet data below the average galaxy scale. The CI expansion begins at the end of inflation, when Φ (future DE) possibly plays a role in reheating, and ends at the Higgs scale. Afterwards, a number of viable options is open, allowing for the transition from the CI expansion to the present Universe. In this paper: (i) We show how the attractor is recovered when the spin degrees of freedom decreases. (ii) We perform a detailed comparison of CMB anisotropy and polarization spectra for SCDEW and LCDM, including tensor components, finding negligible discrepancies. (iii) Linear spectra exhibit a greater parameter dependence at large k's, but are still consistent with data for suitable parameter choices. (iv) We also compare previous simulation results with fresh data on galaxy concentration. Finally, (v) we outline numerical difficulties at high k. This motivates a second related paper [1], where such problems are treated in a quantitative way.

Strongly coupled dark energy with warm dark matter vs. LCDM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonometto, S.A.; Mezzetti, M.; Mainini, R., E-mail: bonometto@oats.inaf.it, E-mail: mezzetti@oats.inaf.it, E-mail: roberto.mainini@mib.infn.it

Cosmologies including strongly Coupled (SC) Dark Energy (DE) and Warm dark matter (SCDEW) are based on a conformally invariant (CI) attractor solution modifying the early radiative expansion. Then, aside of radiation, a kinetic field Φ and a DM component account for a stationary fraction, ∼ 1 %, of the total energy. Most SCDEW predictions are hardly distinguishable from LCDM, while SCDEW alleviates quite a few LCDM conceptual problems, as well as its difficulties to meet data below the average galaxy scale. The CI expansion begins at the end of inflation, when Φ (future DE) possibly plays a role in reheating,more » and ends at the Higgs scale. Afterwards, a number of viable options is open, allowing for the transition from the CI expansion to the present Universe. In this paper: (i) We show how the attractor is recovered when the spin degrees of freedom decreases. (ii) We perform a detailed comparison of CMB anisotropy and polarization spectra for SCDEW and LCDM, including tensor components, finding negligible discrepancies. (iii) Linear spectra exhibit a greater parameter dependence at large k 's, but are still consistent with data for suitable parameter choices. (iv) We also compare previous simulation results with fresh data on galaxy concentration. Finally, (v) we outline numerical difficulties at high k . This motivates a second related paper [1], where such problems are treated in a quantitative way.« less

Laser Spectroscopy and Density Functional Study on Niobium Dimer Cation

NASA Astrophysics Data System (ADS)

Aydin, Metin; Lombardi, John R.

2009-06-01

Resonant multiphoton fragmentation spectra of niobium dimer cation (Nb2+) have been obtained by utilizing laser vaporization of a Nb metal target. Ions are mass-selected with a time-of-flight mass spectrometer followed by a mass gate, then fragmented with a pulsed dye laser, and the resulting fragment ions are detected with a second time-of-flight reflectron mass spectrometer and multichannel plate. Photon resonances are detected by monitoring ion current as a function of fragmentation laser wavelength. A rich, but complex spectrum of the cation is obtained. The bands display a characteristic multiplet structure that may be interpreted as due to transitions from the ground state X^{4}{Σ}^{-}({Ω}g) to several excited states, X^{4}{Π}({Ω}u) and X^{4}{Σ}(^{-}{Ω}u). The ground state X^{4}{Σ}^{-}({Ω}g) is derived from the electron configuration ({π}{_u})^{4} (1{σ}{_g})^{2}(2{σ}{_g})^{1} ({δ}{_g})^{2}. The two spin-orbit components are split by 145 cm^{-1} due to a strong second-order isoconfigurational spin-orbit interaction with the low-lying ^{2}{Σ}^{+}({Ω}g) state. The vibrational frequencies of the ground sate and the excited state of Nb2+ are identified as well as molecular spin-orbit constants (A{_S}{_O}) in the excited state. The electronic structure of niobium dimer cation was investigated using density functional theory. For the electronic ground state, the predicted spectroscopic properties were in good agreement with experiment. Calculations on excited states reveal congested manifolds of quartet and doublet electronic states in the range 0-30,000 cm^{-1}, reflecting the multitude of possible electronic promotions among the 4d- and 5s-based molecular orbitals. Comparisons are drawn between Nb^{+}{_2} and the prevalent isoelectronic molecules V^{+}{_2}/NbV^{+}/Nb{_2}/V{_2}/NbV. M. Aydin and John R. Lombardi J. Phys. Chem. A. xx XXXX 2009.

Rotary balance data for a single-engine trainer design for an angle-of-attack range of 8 deg to 90 deg. [conducted in langely spin tunnel

NASA Technical Reports Server (NTRS)

Pantason, P.; Dickens, W.

1979-01-01

Aerodynamic characteristics obtained in a rotational flow environment utilizing a rotary balance located in the Langley spin tunnel are presented in plotted form for a 1/6 scale, single engine trainer airplane model. The configurations tested included the basic airplane, various wing leading edge devices, elevator, aileron and rudder control settings as well as airplane components. Data are presented without analysis for an angle of attack range of 8 to 90 degrees and clockwise and counter-clockwise rotations.

Strain coupling mechanisms and elastic relaxation associated with spin state transitions in LaCoO3

NASA Astrophysics Data System (ADS)

Zhang, Zhiying; Koppensteiner, Johannes; Schranz, Wilfried; Prabhakaran, Dharmalingam; Carpenter, Michael A.

2011-04-01

Advantage is taken of the wealth of experimental data relating to the evolution with temperature of spin states of Co3 + in LaCoO3 in order to undertake a detailed investigation of the mechanisms by which changes in electronic structure can influence strain, and elastic and anelastic relaxations in perovskites. The macroscopic strain accompanying changes in the spin state in LaCoO3 is predominantly a volume strain arising simply from the change in effective ionic radius of the Co3 + ions. This acts to renormalize the octahedral tilting transition temperature in a manner that is easily understood in terms of coupling between the tilt and spin order parameters. Results from resonant ultrasound spectroscopy at high frequencies (0.1-1.5 MHz) reveal stiffening of the shear modulus which scales qualitatively with a spin order parameter defined in terms of changing Co-O bond lengths. From this finding, in combination with results from dynamic mechanical analysis at low frequencies (0.1-50 Hz) and data from the literature, four distinctive anelastic relaxation mechanisms are identified. The relaxation times of these are displayed on an anelasticity map and are tentatively related to spin-spin relaxation, spin-lattice relaxation, migration of twin walls and migration of magnetic polarons. The effective activation energy for the freezing of twin wall motion below ~ 590 K at low frequencies was found to be 182 ± 21 kJ mol - 1 (1.9 ± 0.2 eV) which is attributed to pinning by pairs of oxygen vacancies, though the local mechanisms appear to have a spread of relaxation times. It seems inevitable that twin walls due to octahedral tilting must have quite different characteristics from the matrix in terms of local spin configurations of Co3 + . A hysteresis in the elastic properties at high temperatures further emphasizes the importance of oxygen content in controlling the properties of LaCoO3.

Disassociation of cognitive and affective aspects of theory of mind in obsessive-compulsive disorder.

PubMed

Liu, Wanting; Fan, Jie; Gan, Jun; Lei, Hui; Niu, Chaoyang; Chan, Raymond C K; Zhu, Xiongzhao

2017-09-01

Impairment in social functioning has been widely described in obsessive-compulsive disorder (OCD). However, several aspects of social cognition, such as theory of mind (ToM), have not been substantially investigated in this context. This study examined cognitive and affective ToM in 40 OCD patients and 38 age-, sex-, and education-matched healthy controls (HCs) with the computerized Yoni task and a battery of neurocognitive tests. OCD symptom severity was assessed with the Yale-Brown Obsessive-Compulsive Scale (Y-BOCS). Depressive and anxiety symptoms were also assessed. Compared to HCs, OCD patients performed worse on second-order affective condition trials, but not cognitive or physical condition trials, of the Yoni task; there were not group differences in any of the first-order condition domains. Second-order ToM performance of OCD patients was associated with estimated intelligence and working memory performance. After controlling for neurocognitive variables, the group difference in second-order affective condition performance remained significant. These findings indicate that the affective component of ToM may be selectively impaired in OCD patients and that the observed deficit is largely independent of other neurocognitive impairments and clinical characteristics. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.

Investigation of low-latitude hydrogen emission in terms of a two-component interstellar gas model

NASA Technical Reports Server (NTRS)

Baker, P. L.; Burton, W. B.

1975-01-01

High-resolution 21-cm hydrogen line observations at low galactic latitude are analyzed to determine the large-scale distribution of galactic hydrogen. Distribution parameters are found by model fitting, optical depth effects are computed using a two-component gas model suggested by the observations, and calculations are made for a one-component uniform spin-temperature gas model to show the systematic departures between this model and data obtained by incorrect treatment of the optical depth effects. Synthetic 21-cm line profiles are computed from the two-component model, and the large-scale trends of the observed emission profiles are reproduced together with the magnitude of the small-scale emission irregularities. Values are determined for the thickness of the galactic hydrogen disk between half density points, the total observed neutral hydrogen mass of the galaxy, and the central number density of the intercloud hydrogen atoms. It is shown that typical hydrogen clouds must be between 1 and 13 pc in diameter and that optical thinness exists on large-scale despite the presence of optically thin gas.

Studies of superconducting materials with muon spin rotation

NASA Technical Reports Server (NTRS)

Davis, Michael R.; Stronach, Carey E.; Kossler, W. J.; Schone, H. E.; Yu, X. H.; Uemura, Y. J.; Sternlieb, B. J.; Kempton, J. R.; Oostens, J.; Lankford, W. F.

1989-01-01

The muon spin rotation/relaxation technique was found to be an exceptionally effective means of measuring the magnetic properties of superconductors, including the new high temperature superconductor materials, at the microscopic level. The technique directly measures the magnetic penetration depth (type II superconductors (SC's)) and detects the presence of magnetic ordering (antiferromagnetism or spin-glass ordering were observed in some high temperature superconductor (HTSC's) and in many closely related compounds). Extensive studies of HTSC materials were conducted by the Virginia State University - College of William and Mary - Columbia University collaboration at Brookhaven National Laboratory and TRIUMF (Vancouver). A survey of LaSrCuO and YBaCaCuO systems shows an essentially linear relationship between the transition temperature T(sub c) and the relaxation rate. This appears to be a manifestation of the proportionality between T(sub c) and the Fermi energy, which suggests a high energy scale for the SC coupling, and which is not consistent with the weak coupling of phonon-mediated SC. Studies of LaCuO and YBaCuO parent compounds show clear evidence of antiferromagnetism. YBa2Cu(3-x)CO(x)O7 shows the simultaneous presence of spin-glass magnetic ordering and superconductivity. Three-dimensional SC, (Ba, K) BiO3, unlike the layered CuO-based compounds, shows no suggestion of magnetic ordering. Experimental techniques and theoretical implications are discussed.

{sup 1}H and {sup 19}F spin-lattice relaxation and CH{sub 3} or CF{sub 3} reorientation in molecular solids containing both H and F atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beckmann, Peter A., E-mail: pbeckman@brynmawr.edu; Rheingold, Arnold L.

2016-04-21

The dynamics of methyl (CH{sub 3}) and fluoromethyl (CF{sub 3}) groups in organic molecular (van der Waals) solids can be exploited to survey their local environments. We report solid state {sup 1}H and {sup 19}F spin-lattice relaxation experiments in polycrystalline 3-trifluoromethoxycinnamic acid, along with an X-ray diffraction determination of the molecular and crystal structure, to investigate the intramolecular and intermolecular interactions that determine the properties that characterize the CF{sub 3} reorientation. The molecule is of no particular interest; it simply provides a motionless backbone (on the nuclear magnetic resonance (NMR) time scale) to investigate CF{sub 3} reorientation occurring on themore » NMR time scale. The effects of {sup 19}F–{sup 19}F and {sup 19}F–{sup 1}H spin-spin dipolar interactions on the complicated nonexponential NMR relaxation provide independent inputs into determining a model for CF{sub 3} reorientation. As such, these experiments provide much more information than when only one spin species (usually {sup 1}H) is present. In Sec. IV, which can be read immediately after the Introduction without reading the rest of the paper, we compare the barrier to CH{sub 3} and CF{sub 3} reorientation in seven organic solids and separate this barrier into intramolecular and intermolecular components.« less

Helical ordering in the ground state of spin-one color superconductors as a consequence of parity violation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brauner, Tomas

We investigate spin-one color superconductivity of a single quark flavor using the Ginzburg-Landau theory. First we examine the classic analysis of Bailin and Love and show that by restricting to the so-called inert states, it misses the true ground state in a part of the phase diagram. This suggests the use of the more general, noninert states, in particular, within three-flavor quark matter where the color neutrality constraint imposes stress on the spin-one pairing and may disfavor the symmetric color-spin-locked state. In the second part of the paper we show that, in analogy to some ferromagnetic materials, lack of space-inversionmore » symmetry leads to a new term in the Ginzburg-Landau functional, which favors a spatially nonuniform long-range ordering with a spiral structure. In color superconductors, this new parity-violating term is a tiny effect of weak-interaction physics. The modified phase diagram is determined and the corresponding ground states for all the phases constructed. At the end, we estimate the coefficient of the new term in the free energy functional, and discuss its relevance for the phenomenology of dense quark matter.« less

Integration and initial operation of the multi-component large ring laser structure ROMY

NASA Astrophysics Data System (ADS)

Schreiber, Karl Ulrich; Igel, Heiner; Wassermann, Joachim; Gebauer, André; Simonelli, Andrea; Bernauer, Felix; Donner, Stefanie; Hadziioannou, Celine; Egdorf, Sven; Wells, Jon-Paul

2017-04-01

Rotation sensing for the geosciences requires a high sensor resolution of the order of 10 pico- radians per second or even less. An optical Sagnac interferometer offers this sensitivity, provided that the scale factor can be made very large. We have designed and built a multi- component ring laser system, consisting of 4 individual large ring lasers, each covering an area of more than 62 square m. The rings are orientated in the shape of a tetrahedron, so that all 3 spatial directions are covered, allowing also for some redundancy. We report on the initial operation of the free running gyroscopes in their underground facility in order to establish a performance estimate for the ROMY ring laser structure. Preliminary results suggest that the quantum noise limit is lower than that of the G ring laser.

Multiple-quantum spin counting in magic-angle-spinning NMR via low-power symmetry-based dipolar recoupling

NASA Astrophysics Data System (ADS)

Teymoori, Gholamhasan; Pahari, Bholanath; Viswanathan, Elumalai; Edén, Mattias

2013-11-01

By using a symmetry-based R281R28-1 double-quantum (2Q) dipolar recoupling sequence, we demonstrate high-order multiple-quantum coherence (MQC) excitation at fast magic-angle spinning (MAS) frequencies up to 34 kHz. This scheme combines several attractive features, such as a relatively high dipolar scaling factor, good compensation to rf-errors, isotropic and anisotropic chemical shifts, as well as an ultra-low radio-frequency (rf) power requirement. The latter translates into nutation frequencies below 30 kHz for MAS rates up to 60 kHz, thereby permitting rf application for very long excitation periods without risk of damaging the NMR probehead or sample, while the compensation to chemical shifts improves as the MAS rate increases. 31P MQC spin counting is demonstrated on powders of calcium hydroxyapatite (Ca5(PO4)3OH) and anhydrous sodium diphosphate (Na4P2O7), from which all even coherence orders up to 30 and 14 were detected, respectively, over the respective MAS ranges of 15-24 kHz and 20-34 kHz. The amplitude distributions among the 31P MQC orders depend on the precise nutation frequency during recoupling, despite that the highest detected order was relatively insensitive to this parameter. An observed gradual transition from a Gaussian to exponential functionality of the MQC amplitude-profile is discussed in relation to the prevailing approach to derive spin-cluster sizes by fitting the MQC amplitude-distribution to a Gaussian decay, where minor systematic deviations between the model and experimental data are frequently reported.

The frustrated fcc antiferromagnet Ba 2 YOsO 6: Structural characterization, magnetic properties and neutron scattering studies

DOE PAGES

Kermarrec, E.; Marjerrison, Casey A.; Thompson, C. M.; ...

2015-02-26

Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba 2 YOsO 6. The Fmmore » $$\\bar{3}$$m space group is found both at 290 K and 3.5 K with cell constants a 0=8.3541(4) Å and 8.3435(4) Å, respectively. Os 5+ (5d 3) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below T N~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μ B on Os 5+. The ordered moment is much reduced from either the expected spin-only value of ~3 μ B or the value appropriate to 4d 3 Ru 5+ in isostructural Ba 2 YRuO 6 of 2.2(1) μ B, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d 3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru 5+,4d 3 cubic double perovskite Ba 2YRuO 6, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.« less

The balance of dynamic vorticity for the Presidents' Day storm

NASA Astrophysics Data System (ADS)

Zapotocny, Tom Harmon

1990-06-01

The maintenance of isentropic dynamic vorticity, defined as the vertical component of the curl of momentum, is examined for the life cycle of the Presidents'Day storm. Dynamic vorticity and its tendency are also compared to the more commonly used kinematic vorticity and its tendency. Diagnostics are first performed on an inviscid numerical simulation of an amplifying baroclinic disturbance by a hybrid isentropic-sigma coordinate channel model. The main purpose for studying a simulation with the channel model is to examine the first-order balance of dynamic vorticity during development under simplified conditions. A more in-depth evaluation of dynamic vorticity is presented for an excellent numerical simulation of the Presidents' Day storm of 18 to 20 February 1979. Dynamic vorticity diagnostics for the Presidents' Day storm reveal the importance of mass asymmetries within an isentropic layer and also document the effect of weak static stability. Prior to cyclogenesis, a strong cyclonic circulation tendency exists from both the vertical advection of vorticity and tilting terms. Another important feature is the merging of two synoptic scale short waves; one propagating southeast from the Great Lakes states, the other moving northeast from the Gulf of Mexico. Cyclogenesis is initiated by the latter of these two short waves, while rapid development occurs when the Great Lakes short waves reaches the Middle Atlantic states. During rapid development, an assessment of the ageostrophic component on spin-up is obtained from a balance of the divergence term and pressure stresses. Spin-up from the ageostrophic component is largest ahead of the lower tropospheric warm front. The impact of an 80 m/s subtropical jet streak, which enhances upper tropospheric processes during development, is also examined.

Inductive detection of fieldlike and dampinglike ac inverse spin-orbit torques in ferromagnet/normal-metal bilayers

NASA Astrophysics Data System (ADS)

Berger, Andrew J.; Edwards, Eric R. J.; Nembach, Hans T.; Karenowska, Alexy D.; Weiler, Mathias; Silva, Thomas J.

2018-03-01

Functional spintronic devices rely on spin-charge interconversion effects, such as the reciprocal processes of electric field-driven spin torque and magnetization dynamics-driven spin and charge flow. Both dampinglike and fieldlike spin-orbit torques have been observed in the forward process of current-driven spin torque and dampinglike inverse spin-orbit torque has been well studied via spin pumping into heavy metal layers. Here, we demonstrate that established microwave transmission spectroscopy of ferromagnet/normal metal bilayers under ferromagnetic resonance can be used to inductively detect the ac charge currents driven by the inverse spin-charge conversion processes. This technique relies on vector network analyzer ferromagnetic resonance (VNA-FMR) measurements. We show that in addition to the commonly extracted spectroscopic information, VNA-FMR measurements can be used to quantify the magnitude and phase of all ac charge currents in the sample, including those due to spin pumping and spin-charge conversion. Our findings reveal that Ni80Fe20/Pt bilayers exhibit both dampinglike and fieldlike inverse spin-orbit torques. While the magnitudes of both the dampinglike and fieldlike inverse spin-orbit torque are of comparable scale to prior reported values for similar material systems, we observed a significant dependence of the dampinglike magnitude on the order of deposition. This suggests interface quality plays an important role in the overall strength of the dampinglike spin-to-charge conversion.

Electron paramagnetic resonance studies of slowly tumbling vanadyl spin probes in nematic liquid crystals

NASA Technical Reports Server (NTRS)

Bruno, G. V.; Harrington, J. K.; Eastman, M. P.

1978-01-01

An analysis of EPR line shapes by the method of Polnaszek, Bruno, and Freed is made for slowly tumbling vanadyl spin probes in viscous nematic liquid crystals. The use of typical vanadyl complexes as spin probes for nematic liquid crystals is shown to simplify the theoretical analysis and the subsequent interpretation. Rotational correlation times tau and orientational ordering parameters S sub Z where slow tumbling effects are expected to be observed in vanadyl EPR spectra are indicated in a plot. Analysis of the inertial effects on the probe reorientation, which are induced by slowly fluctuating torque components of the local solvent structure, yield quantitative values for tau and S sub Z. The weakly ordered probe VOAA is in the slow tumbling region and displays these inertial effects throughout the nematic range of BEPC and Phase V. VOAA exhibits different reorientation behavior near the isotropic-nematic transition temperature than that displayed far below this transition temperature.

DNA-Based Self-Assembly of Fluorescent Nanodiamonds.

PubMed

Zhang, Tao; Neumann, Andre; Lindlau, Jessica; Wu, Yuzhou; Pramanik, Goutam; Naydenov, Boris; Jelezko, Fedor; Schüder, Florian; Huber, Sebastian; Huber, Marinus; Stehr, Florian; Högele, Alexander; Weil, Tanja; Liedl, Tim

2015-08-12

As a step toward deterministic and scalable assembly of ordered spin arrays we here demonstrate a bottom-up approach to position fluorescent nanodiamonds (NDs) with nanometer precision on DNA origami structures. We have realized a reliable and broadly applicable surface modification strategy that results in DNA-functionalized and perfectly dispersed NDs that were then self-assembled in predefined geometries. With optical studies we show that the fluorescence properties of the nitrogen-vacancy color centers in NDs are preserved during surface modification and DNA assembly. As this method allows the nanoscale arrangement of fluorescent NDs together with other optically active components in complex geometries, applications based on self-assembled spin lattices or plasmon-enhanced spin sensors as well as improved fluorescent labeling for bioimaging could be envisioned.

Fermiology and Superconductivity of Topological Surface States in PdTe2

NASA Astrophysics Data System (ADS)

Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

2018-04-01

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui, Q.; Cheng, J. -G.; Fan, W.

The perovskite (Pv) SrIrO 3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn 4+ for Ir 4+ in the SrIr 1-xSn xO 3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic phase at TN ≥ 225 K. The continuous change of the cell volume as detected by X-ray diffraction andmore » the l-shape transition of the specific heat on cooling through TN demonstrate that the metal-insulator transition is of second-order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below TN. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. A reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below TN in the same way as proposed by Slater.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui, Q.; Cheng, J. -G.; Fan, W.

The perovskite SrIrO 3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn 4+ for Ir 4+ in the SrIr 1–xSn xO 3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at T N ≥ 225 K. The continuous change of the cell volume as detected by x-ray diffractionmore » and the λ-shape transition of the specific heat on cooling through T N demonstrate that the metal-insulator transition is of second order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type- G AF spin ordering below T N. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. Furthermore, a reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below T N in the same way as proposed by Slater.« less

Rolf Landauer and Charles H. Bennett Award Talk: Experimental development of spin qubits in silicon

NASA Astrophysics Data System (ADS)

Morello, Andrea

The modern information era is built on silicon nanoelectronic devices. The future quantum information era might be built on silicon too, if we succeed in controlling the interactions between individual spins hosted in silicon nanostructures. Spins in silicon constitute excellent solid-state qubits, because of the weak spin-orbit coupling and the possibility to remove nuclear spins from the environment through 28Si isotopic enrichment. Substitutional 31P atoms in silicon behave approximately like hydrogen in vacuum, providing two spin 1/2 qubits - the donor-bound electron and the 31P nucleus - that can be coherently controlled, read out in single-shot, and are naturally coupled through the hyperfine interaction. In isotopically-enriched 28Si, these single-atom qubits have demonstrated outstanding coherence times, up to 35 seconds for the nuclear spin, and 1-qubit gate fidelities well above 99.9% for both the electron and the nucleus. The hyperfine coupling provides a built-in interaction to entangle the two qubits within one atom. The combined initialization, control and readout fidelities result in a violation of Bell's inequality with S = 2 . 70 , a record value for solid-state qubits. Despite being identical atomic systems, 31P atoms can be addressed individually by locally modifying the hyperfine interaction through electrostatic gating. Multi-qubit logic gates can be mediated either by the exchange interaction or by electric dipole coupling. Scaling up beyond a single atom presents formidable challenges, but provides a pathway to building quantum processors that are compatible with standard semiconductor fabrication, and retain a nanometric footprint, important for truly large-scale quantum computers. Work supported by US Army Research Office (W911NF-13-1-0024) and Australian Research Council (CE110001027).

Coupling a single electron spin to a microwave resonator: Part I: controlling transverse and longitudinal couplings

NASA Astrophysics Data System (ADS)

Lachance-Quirion, Dany; Beaudoin, Félix; Camirand Lemyre, Julien; Coish, William A.; Pioro-Ladrière, Michel

Novel quantum technologies can be combined within hybrid systems to benefit from the complementary capabilities of individual components. For example, microwave-frequency superconducting resonators are ideally suited to perform qubit readout and to mediate two-qubit gates, while spin qubits offer long coherence times and high-fidelity single-qubit gates. In this talk, we consider strong coupling between a microwave resonator and an electron-spin qubit in a double quantum dot due to an inhomogeneous magnetic field generated by a nearby nanomagnet.. Considering realistic parameters, we estimate spin-resonator couplings of order 1 MHz. Further, we show that the position of the double dot relative to the nanomagnet allows us to select between purely longitudinal and transverse couplings. While the transverse coupling may be used for quantum state transfer between the spin qubit and the resonator, the longitudinal coupling could be used in a new qubit readout scheme recently introduced for superconducting qubits.

Laser-assisted metal spinning for an efficient and flexible processing of challenging materials

NASA Astrophysics Data System (ADS)

Brummer, C.; Eck, S.; Marsoner, S.; Arntz, K.; Klocke, F.

2016-03-01

The demand for components made from high performance materials like titanium or nickel-based alloys as well as strain-hardening stainless steel is steadily increasing. However, conventional forming operations conducted on these materials are generally very laborious and time-consuming. This is where the limitations of metal spinning also become apparent. Using a laser to apply heat localized to the forming zone during metal spinning facilitates to enhance the formability of a material. In order to analyse the potential of the new manufacturing process, experimental investigations on laser-assisted shear forming and multi-pass metal spinning have been performed with austenitic stainless steel X5CrNi18-10, nickel-based alloy Inconel 718 and titanium grade 2. It could be demonstrated that the formability of these materials can be enhanced by laser-assistance. Besides the resulting enhancement of forming limits for metal spinning of challenging materials, the forming forces were reduced and the product quality was improved significantly.

Spin-Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene

DTIC Science & Technology

2017-11-09

to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a long-term effort...devices, our goal is to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a... correlate the change in transport with the atomic structure of hydrogen-doped graphene, we subsequently use the STM to investigate the graphene

Possible ergodic-nonergodic regions in the quantum Sherrington-Kirkpatrick spin glass model and quantum annealing

NASA Astrophysics Data System (ADS)

Mukherjee, Sudip; Rajak, Atanu; Chakrabarti, Bikas K.

2018-02-01

We explore the behavior of the order parameter distribution of the quantum Sherrington-Kirkpatrick model in the spin glass phase using Monte Carlo technique for the effective Suzuki-Trotter Hamiltonian at finite temperatures and that at zero temperature obtained using the exact diagonalization method. Our numerical results indicate the existence of a low- but finite-temperature quantum-fluctuation-dominated ergodic region along with the classical fluctuation-dominated high-temperature nonergodic region in the spin glass phase of the model. In the ergodic region, the order parameter distribution gets narrower around the most probable value of the order parameter as the system size increases. In the other region, the Parisi order distribution function has nonvanishing value everywhere in the thermodynamic limit, indicating nonergodicity. We also show that the average annealing time for convergence (to a low-energy level of the model, within a small error range) becomes system size independent for annealing down through the (quantum-fluctuation-dominated) ergodic region. It becomes strongly system size dependent for annealing through the nonergodic region. Possible finite-size scaling-type behavior for the extent of the ergodic region is also addressed.

A tight binding model study of tunneling conductance spectra of spin and orbitally ordered CMR manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Sahoo, D. D.; Rout, G. C.

2018-04-01

We report here a tight binding model for colossal magnetoresistive (CMR) manganites to study the pseudo gap (PG) behavior near Fermi level. In the Kubo-Ohata type DE model, we consider first and second nearest neighbor interactions for transverse spin fluctuations in core band and hopping integrals in conduction band, in the presence of static band Jahn-Teller distortion. The model Hamiltonian is solved using Zubarev's Green's function technique. The electron density of states (DOS) is found out from the Green's functions. We observe clear PG near Fermi level in the electron DOS.

Quantum phase transitions in spin-1 X X Z chains with rhombic single-ion anisotropy

NASA Astrophysics Data System (ADS)

Ren, Jie; Wang, Yimin; You, Wen-Long

2018-04-01

We explore numerically the inverse participation ratios in the ground state of one-dimensional spin-1 X X Z chains with the rhombic single-ion anisotropy. By employing the techniques of density-matrix renormalization group, effects of the rhombic single-ion anisotropy on various information theoretical measures are investigated, such as the fidelity susceptibility, the quantum coherence, and the entanglement entropy. Their relations with the quantum phase transitions are also analyzed. The phase transitions from the Y -Néel phase to the large-Ex or the Haldane phase can be well characterized by the fidelity susceptibility. The second-order derivative of the ground-state energy indicates all the transitions are of second order. We also find that the quantum coherence, the entanglement entropy, the Schmidt gap, and the inverse participation ratios can be used to detect the critical points of quantum phase transitions. Results drawn from these quantum information observables agree well with each other. Finally we provide a ground-state phase diagram as functions of the exchange anisotropy Δ and the rhombic single-ion anisotropy E .

Spin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd 2Os 2O 7

DOE PAGES

Calder, Stuart A; Vale, James G.; Bogdanov, Nikolay; ...

2016-06-07

Here, much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d 5 iridates (Ir 4+), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d 3 (Os 5+) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd 2Os 2O 7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similarmore » to pyrochlore iridates. Here, we resolve the magnetic structure in Cd 2Os 2O 7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation.« less

Temperature dependences of the electric polarization and wave number of incommensurate structures in multiferroics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pikin, S. A., E-mail: pikin@ns.crys.ras.ru

2016-05-15

It is shown that the electric polarization and wave number of incommensurate modulations, proportional to each other, increase according to the Landau law in spin multiferroic cycloids near the Néel temperature. In this case, the constant magnetization component (including the one for a conical spiral) is oriented perpendicular to the spin incommensurability wave vector. A similar temperature behavior should manifest itself for spin helicoids, the axes of which are oriented parallel to the polarization vector but their spin rotation planes are oriented perpendicular to the antiferromagnetic order plane. When the directions of axes of the magnetization helicoid and polarization vectormore » coincide, the latter is quadratic with respect to magnetization and linearly depends on temperature, whereas the incommensurate-modulation wave number barely depends on temperature. Structural distortions of unit cells for multiferroics of different types determine their axial behavior.« less

DEER distance measurement between a spin label and a native FAD semiquinone in electron transfer flavoprotein.

PubMed

Swanson, Michael A; Kathirvelu, Velavan; Majtan, Tomas; Frerman, Frank E; Eaton, Gareth R; Eaton, Sandra S

2009-11-11

The human mitochondrial electron transfer flavoprotein (ETF) accepts electrons from at least 10 different flavoprotein dehydrogenases and transfers electrons to a single electron acceptor in the inner membrane. Paracoccus denitrificans ETF has the identical function, shares the same three-dimensional structure and functional domains, and exhibits the same conformational mobility. It has been proposed that the mobility of the alphaII domain permits the promiscuous behavior of ETF with respect to a variety of redox partners. Double electron-electron resonance (DEER) measurements between a spin label and an enzymatically reduced flavin adenine dinucleotide (FAD) cofactor in P. denitrificans ETF gave two distributions of distances: a major component centered at 4.2 +/- 0.1 nm and a minor component centered at 5.1 +/- 0.2 nm. Both components had widths of approximately 0.3 nm. A distance of 4.1 nm was calculated using the crystal structure of P. denitrificans ETF, which agrees with the major component obtained from the DEER measurement. The observation of a second distribution suggests that ETF, in the absence of substrate, adopts some conformations that are intermediate between the predominant free and substrate-bound states.

DEER Distance Measurement Between a Spin Label and a Native FAD Semiquinone in Electron Transfer Flavoprotein

PubMed Central

Swanson, Michael A.; Kathirvelu, Velavan; Majtan, Tomas; Frerman, Frank E.; Eaton, Gareth R.; Eaton, Sandra S.

2009-01-01

The human mitochondrial electron transfer flavoprotein (ETF) accepts electrons from at least 10 different flavoprotein dehydrogenases and transfers electrons to a single electron acceptor in the inner membrane. Paracoccus denitrificans ETF has the identical function, shares the same three dimensional structure and functional domains, and exhibits the same conformational mobility. It has been proposed that the mobility of the αII domain permits the promiscuous behavior of ETF with respect to a variety of redox partners. Double electron-electron resonance (DEER) measurements between a spin label and an enzymatically reduced flavin adenine dinucleotide (FAD) cofactor in P. denitrificans ETF gave two distributions of distances: a major component centered at 4.2 ± 0.1 nm and a minor component centered at 5.1 ± 0.2 nm. Both components had widths of approximately 0.3 nm. A distance of 4.1 nm was calculated using the crystal structure of P. denitrificans ETF, which agrees with the major component obtained from the DEER measurement. The observation of a second distribution suggests that ETF, in the absence of substrate, adopts some conformations that are intermediate between the predominant free and substrate-bound states. PMID:19886689

Exploring the fission and reconfiguration cycle of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Scheeres, Daniel J.; Hirabayashi, Masatoshi; Chesley, Steven R.; McMahon, Jay W.

2016-10-01

In Hirabayashi et al. (Nature, 2016) the nucleus of comet 67P/Churyumov-Gerasimenko (67P) is studied with a focus on the straight cracks observed on the Hapi region. These cracks were shown to have formed during a period of fast rotation and led to a proposed evolutionary scenario in which the nuclei may eventually split into two components and recombine to create a new bilobate configuration. Other bilobate nuclei should be subject to such a reconfiguration process, based on the relative sizes of the components, suggesting that this evolutionary scenario may be common for bilobate nuclei which comprise the majority of comet nuclei observed at high spatial resolution. Such reconfigurations could explain the observed occurrence of comet nucleus splitting and brightening events, which still lack a definitive geophysical understanding. Motivated by the proposed theory in Hirabayashi et al., the current work explores the dynamics of the 67P nucleus' rotation rate, fission limits, and subsequent dynamics. One aspect of the theory posits that the comet's distant Jupiter flybys will cause the latitude of the sub-solar point at perihelion to vary chaotically, leading to periods of net positive and negative torques and causing the nucleus to spin-up and spin-down in a random fashion. We analyze the current 67P nucleus shape and orbit to estimate the characteristic time-scale of this rotational evolution, providing an estimate of the current nucleus lifetime in its current configuration. Once the nucleus reaches a spin period shorter than ~7 hours the components will fission into a bound orbit, with the components subsequently reimpacting at speeds less than local escape speed (about 0.4 m/s). The current study extends Hirabayashi et al., explicitly modeling the mutual gravity and orbital dynamics of the head and body, assuming that the head and body rest on each other with the current shape of the 67P nucleus. The results show that when the components are released at a spin period between 6.5 hr and 7 hr, the components will separate and subsequently collide with a low impact speed. The orbital and rotational dynamics of the system components after fission are explored as a function of the initial spin rate at fission.

Tunneling measurement of quantum spin oscillations

NASA Astrophysics Data System (ADS)

Bulaevskii, L. N.; Hruška, M.; Ortiz, G.

2003-09-01

We consider the problem of tunneling between two leads via a localized spin 1/2 or any other microscopic system (e.g., a quantum dot) which can be modeled by a two-level Hamiltonian. We assume that a constant magnetic field B0 acts on the spin, that electrons in the leads are in a voltage driven thermal equilibrium, and that the tunneling electrons are coupled to the spin through exchange and spin-orbit interactions. Using the nonequilibrium Keldysh formalism we find the dependence of the spin-spin and current-current correlation functions on the applied voltage between leads V, temperature T, B0, and on the degree and orientation mα of spin polarization of the electrons in the right (α=R) and left (α=L) leads. We show the following (a) The spin-spin correlation function exhibits a peak at the Larmor frequency, ωL, corresponding to the effective magnetic field B acting upon the spin as determined by B0 and the exchange field induced by tunneling of spin-polarized electrons. (b) If the mα’s are not parallel to B the second-order derivative of the average tunneling current I(V) with respect to V is proportional to the spectral density of the spin-spin correlation function, i.e., exhibits a peak at the voltage V=ħωL/e. (c) In the same situation when V>B the current-current correlation function exhibits a peak at the same frequency. (d) The signal-to-noise (shot-noise) ratio R for this peak reaches a maximum value of order unity, R⩽4, at large V when the spin is decoupled from the environment and the electrons in both leads are fully polarized in the direction perpendicular to B. (e) R≪1 if the electrons are weakly polarized, or if they are polarized in a direction close to B0, or if the spin interacts with the environment stronger than with the tunneling electrons. Our results of a full quantum-mechanical treatment of the tunneling-via-spin model when V≫B are in agreement with those previously obtained in the quasiclassical approach. We discuss also the experimental results observed using scanning tunneling microscopy dynamic probes of the localized spin.

Gravity field and solar component of the precession rate and nutation coefficients of Comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Lhotka, C.; Reimond, S.; Souchay, J.; Baur, O.

2016-02-01

The aim of this study is first to determine the gravity field of the comet 67P/Churyumov-Gerasimenko and second to derive the solar component of the precession rate and nutation coefficients of the spin-axis of the comet nucleus, I.e. without the direct, usually larger, effect of outgassing. The gravity field and related moments of inertia are obtained from two polyhedra, which are provided by the Optical, Spectroscopic, and Infrared Remote Imaging System (OSIRIS) and NAVigation CAMera (NAVCAM) experiments on Rosetta, and are based on the assumption of uniform density for the comet nucleus. We also calculate the forced precession rate as well as the nutation coefficients on the basis of Kinoshita's theory of rotation of the rigid Earth and adapted it to be able to indirectly include the effect of outgassing on the rotational parameters. The second degree denormalized Stokes coefficients of comet 67P/C-G turn out to be (bracketed numbers refer to second shape model) C20 ≃ -6.74 [-7.93] × 10-2, C22 ≃ 2.60 [2.71] × 10-2, consistent with normalized principal moments of inertia A/MR2 ≃ 0.13 [0.11], B/MR2 ≃ 0.23 [0.22], with polar moment c = C/MR2 ≃ 0.25, depending on the choice of the polyhedron model. The obliquity between the rotation axis and the mean orbit normal is ɛ ≃ 52°, and the precession rate only due to solar torques becomes dot{ψ }in [20,30] arcsec yr^{-1}. Oscillations in longitude caused by the gravitational pull of the Sun turn out to be of the order of Δψ ≃ 1 arcmin, and oscillations in obliquity can be estimated to be of the order of Δɛ ≃ 0.5 arcmin.

Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

NASA Astrophysics Data System (ADS)

de Souza, S. M.; Rojas, Onofre

2018-01-01

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

A critical comparison of electrical methods for measuring spin-orbit torques

NASA Astrophysics Data System (ADS)

Zhang, Xuanzi; Hung, Yu-Ming; Rehm, Laura; Kent, Andrew D.

Direct (DC) and alternating current (AC) transport measurements of spin-orbit torques (SOTs) in heavy metal-ferromagnet heterostructure with perpendicular magnetic anisotropy have been proposed and demonstrated. A DC method measures the change of perpendicular magnetization component while an AC method probes the first and second harmonic magnetization oscillation in responses to an AC current (~1 kHz). Here we conduct both types of measurements on β-Ta/CoFeB/MgO in the form of patterned Hall bars (20 μm linewidth) and compare the results. Experiments results are qualitatively in agreement with a macro spin model including Slonzewski-like and a field-like SOTs. However, the effective field from the ac method is larger than that obtained from the DC method. We discuss the possible origins of the discrepancy and its implications for quantitatively determining SOTs. Research supported by the SRC-INDEX program, NSF-DMR-1309202 and NYU-DURF award.

Spectrum of spin waves in cold polarized gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andreeva, T. L., E-mail: phdocandreeva@yandex.ru

2017-02-15

The spin dynamics of cold polarized gases are investigated using the Boltzmann equation. The dispersion relation for spin waves (transverse component of the magnetic moment) and the spin diffusion coefficient of the longitudinal component of the magnetic moment are calculated without using fitting parameters. The spin wave frequency and the diffusion coefficient for rubidium atoms are estimated numerically.

The Effect of Concomitant Fields in Fast Spin Echo Acquisition on Asymmetric MRI Gradient Systems

PubMed Central

Tao, Shengzhen; Weavers, Paul T.; Trzasko, Joshua D.; Huston, John; Shu, Yunhong; Gray, Erin M.; Foo, Thomas K.F.; Bernstein, Matt A.

2017-01-01

Purpose To investigate the effect of the asymmetric gradient concomitant fields (CF) with zeroth and first-order spatial dependence on fast/turbo spin-echo acquisitions, and to demonstrate the effectiveness of their real-time compensation. Methods After briefly reviewing the CF produced by asymmetric gradients, the effects of the additional zeroth and first-order CFs on these systems are investigated using extended-phase graph simulations. Phantom and in vivo experiments are performed to corroborate the simulation. Experiments are performed before and after the real-time compensations using frequency tracking and gradient pre-emphasis to demonstrate their effectiveness in correcting the additional CFs. The interaction between the CFs and prescan-based correction to compensate for eddy currents is also investigated. Results It is demonstrated that, unlike the second-order CFs on conventional gradients, the additional zeroth/first-order CFs on asymmetric gradients cause substantial signal loss and dark banding in fast spin-echo acquisitions within a typical brain-scan field of view. They can confound the prescan correction for eddy currents and degrade image quality. Performing real-time compensation successfully eliminates the artifacts. Conclusions We demonstrate that the zeroth/first-order CFs specific to asymmetric gradients can cause substantial artifacts, including signal loss and dark bands for brain imaging. These effects can be corrected using real-time compensation. PMID:28643408

Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior

NASA Astrophysics Data System (ADS)

Allieta, M.; Scavini, M.; Lo Presti, L.; Coduri, M.; Loconte, L.; Cappelli, S.; Oliva, C.; Ghigna, P.; Pattison, P.; Scagnoli, V.

2013-12-01

We present a detailed study on the charge ordering transition in a GdBaCo2O5.0 system by combining high-resolution synchrotron powder/single-crystal diffraction with electron paramagnetic resonance experiments as a function of temperature. We found a second-order structural phase transition at TCO = 247 K (Pmmm to Pmma) associated with the onset of long-range charge ordering. At Tmin ≈ 1.2TCO, the electron paramagnetic resonance linewidth rapidly broadens, providing evidence of antiferromagnetic spin fluctuations. This likely indicates that, analogously to manganites, the long-range antiferromagnetic order in GdBaCo2O5.0 sets in at ≈TCO. Pair distribution function analysis of diffraction data revealed signatures of structural inhomogeneities at low temperature. By comparing the average and local bond valences, we found that above TCO the local structure is consistent with a fully random occupation of Co2+ and Co3+ in a 1:1 ratio and with a complete charge ordering below TCO. Below T ≈ 100 K the charge localization is partially melted at the local scale, suggesting a reentrant behavior of charge ordering. This result is supported by the weakening of superstructure reflections and the temperature evolution of electron paramagnetic resonance linewidth that is consistent with paramagnetic reentrant behavior reported in the GdBaCo2O5.5 parent compound.

Critical field-exponents for secure message-passing in modular networks

NASA Astrophysics Data System (ADS)

Shekhtman, Louis M.; Danziger, Michael M.; Bonamassa, Ivan; Buldyrev, Sergey V.; Caldarelli, Guido; Zlatić, Vinko; Havlin, Shlomo

2018-05-01

We study secure message-passing in the presence of multiple adversaries in modular networks. We assume a dominant fraction of nodes in each module have the same vulnerability, i.e., the same entity spying on them. We find both analytically and via simulations that the links between the modules (interlinks) have effects analogous to a magnetic field in a spin-system in that for any amount of interlinks the system no longer undergoes a phase transition. We then define the exponents δ, which relates the order parameter (the size of the giant secure component) at the critical point to the field strength (average number of interlinks per node), and γ, which describes the susceptibility near criticality. These are found to be δ = 2 and γ = 1 (with the scaling of the order parameter near the critical point given by β = 1). When two or more vulnerabilities are equally present in a module we find δ = 1 and γ = 0 (with β ≥ 2). Apart from defining a previously unidentified universality class, these exponents show that increasing connections between modules is more beneficial for security than increasing connections within modules. We also measure the correlation critical exponent ν, and the upper critical dimension d c , finding that ν {d}c=3 as for ordinary percolation, suggesting that for secure message-passing d c = 6. These results provide an interesting analogy between secure message-passing in modular networks and the physics of magnetic spin-systems.

Integrability of conformal fishnet theory

NASA Astrophysics Data System (ADS)

Gromov, Nikolay; Kazakov, Vladimir; Korchemsky, Gregory; Negro, Stefano; Sizov, Grigory

2018-01-01

We study integrability of fishnet-type Feynman graphs arising in planar four-dimensional bi-scalar chiral theory recently proposed in arXiv:1512.06704 as a special double scaling limit of gamma-deformed N = 4 SYM theory. We show that the transfer matrix "building" the fishnet graphs emerges from the R-matrix of non-compact conformal SU(2 , 2) Heisenberg spin chain with spins belonging to principal series representations of the four-dimensional conformal group. We demonstrate explicitly a relationship between this integrable spin chain and the Quantum Spectral Curve (QSC) of N = 4 SYM. Using QSC and spin chain methods, we construct Baxter equation for Q-functions of the conformal spin chain needed for computation of the anomalous dimensions of operators of the type tr( ϕ 1 J ) where ϕ 1 is one of the two scalars of the theory. For J = 3 we derive from QSC a quantization condition that fixes the relevant solution of Baxter equation. The scaling dimensions of the operators only receive contributions from wheel-like graphs. We develop integrability techniques to compute the divergent part of these graphs and use it to present the weak coupling expansion of dimensions to very high orders. Then we apply our exact equations to calculate the anomalous dimensions with J = 3 to practically unlimited precision at any coupling. These equations also describe an infinite tower of local conformal operators all carrying the same charge J = 3. The method should be applicable for any J and, in principle, to any local operators of bi-scalar theory. We show that at strong coupling the scaling dimensions can be derived from semiclassical quantization of finite gap solutions describing an integrable system of noncompact SU(2 , 2) spins. This bears similarities with the classical strings arising in the strongly coupled limit of N = 4 SYM.

One-loop effective actions and higher spins. Part II

NASA Astrophysics Data System (ADS)

Bonora, L.; Cvitan, M.; Prester, P. Dominis; Giaccari, S.; Štemberga, T.

2018-01-01

In this paper we continue and improve the analysis of the effective actions obtained by integrating out a scalar and a fermion field coupled to external symmetric sources, started in the previous paper. The first subject we study is the geometrization of the results obtained there, that is we express them in terms of covariant Jacobi tensors. The second subject concerns the treatment of tadpoles and seagull terms in order to implement off-shell covariance in the initial model. The last and by far largest part of the paper is a repository of results concerning all two point correlators (including mixed ones) of symmetric currents of any spin up to 5 and in any dimensions between 3 and 6. In the massless case we also provide formulas for any spin in any dimension.

Spin diffusion from an inhomogeneous quench in an integrable system.

PubMed

Ljubotina, Marko; Žnidarič, Marko; Prosen, Tomaž

2017-07-13

Generalized hydrodynamics predicts universal ballistic transport in integrable lattice systems when prepared in generic inhomogeneous initial states. However, the ballistic contribution to transport can vanish in systems with additional discrete symmetries. Here we perform large scale numerical simulations of spin dynamics in the anisotropic Heisenberg XXZ spin 1/2 chain starting from an inhomogeneous mixed initial state which is symmetric with respect to a combination of spin reversal and spatial reflection. In the isotropic and easy-axis regimes we find non-ballistic spin transport which we analyse in detail in terms of scaling exponents of the transported magnetization and scaling profiles of the spin density. While in the easy-axis regime we find accurate evidence of normal diffusion, the spin transport in the isotropic case is clearly super-diffusive, with the scaling exponent very close to 2/3, but with universal scaling dynamics which obeys the diffusion equation in nonlinearly scaled time.

On determining fluxgate magnetometer spin axis offsets from mirror mode observations

NASA Astrophysics Data System (ADS)

Plaschke, Ferdinand; Narita, Yasuhito

2016-09-01

In-flight calibration of fluxgate magnetometers that are mounted on spacecraft involves finding their outputs in vanishing ambient fields, the so-called magnetometer offsets. If the spacecraft is spin-stabilized, then the spin plane components of these offsets can be relatively easily determined, as they modify the spin tone content in the de-spun magnetic field data. The spin axis offset, however, is more difficult to determine. Therefore, usually Alfvénic fluctuations in the solar wind are used. We propose a novel method to determine the spin axis offset: the mirror mode method. The method is based on the assumption that mirror mode fluctuations are nearly compressible such that the maximum variance direction is aligned to the mean magnetic field. Mirror mode fluctuations are typically found in the Earth's magnetosheath region. We introduce the method and provide a first estimate of its accuracy based on magnetosheath observations by the THEMIS-C spacecraft. We find that 20 h of magnetosheath measurements may already be sufficient to obtain high-accuracy spin axis offsets with uncertainties on the order of a few tenths of a nanotesla, if offset stability can be assumed.

Electric-field-induced modification in Dzyaloshinskii-Moriya interaction of Co monolayer on Pt(111)

NASA Astrophysics Data System (ADS)

Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Ono, Teruo; Weinert, Michael

Magnetism induced by an external electric field (E-field) has received much attention as a potential approach for controlling magnetism at the nano-scale with the promise of ultra-low energy power consumption. Here, the E-field-induced modification of the Dzyaloshinskii-Moriya interaction (DMI) for a prototypical transition-metal thin layer of a Co monolayer on Pt(111) is investigated by first-principles calculations by using the full-potential linearized augmented plane wave method that treats spin-spiral structures in an E-field. With inclusion of the spin-orbit coupling (SOC) by the second variational method for commensurate spin-spiral structures, the DMI constants were estimated from an asymmetric contribution in the total energy with respect to the spin-spiral wavevector. The results predicted that the DMI is modified by the E-field, but the change is found to be small compared to that in the exchange interaction (a symmetric contribution in the total energy) by a factor of ten.

Scanning Probe Microscopy for Spin Mapping and Spin Manipulation on the Atomic Scale

NASA Astrophysics Data System (ADS)

Wiesendanger, Roland

2008-03-01

A fundamental understanding of magnetic and spin-dependent phenomena requires the determination of spin structures and spin excitations down to the atomic scale. The direct visualization of atomic-scale spin structures [1-4] has first been accomplished for magnetic metals by combining the atomic resolution capability of Scanning Tunnelling Microscopy (STM) with spin sensitivity, based on vacuum tunnelling of spin-polarized electrons [5]. The resulting technique, Spin-Polarized Scanning Tunnelling Microscopy (SP-STM), nowadays provides unprecedented insight into collinear and non-collinear spin structures at surfaces of magnetic nanostructures and has already led to the discovery of new types of magnetic order at the nanoscale [6,7]. More recently, the detection of spin-dependent exchange and correlation forces has allowed a first direct real-space observation of spin structures at surfaces of antiferromagnetic insulators [8]. This new type of scanning probe microscopy, called Magnetic Exchange Force Microscopy (MExFM), offers a powerful new tool to investigate different types of spin-spin interactions based on direct-, super-, or RKKY-type exchange down to the atomic level. By combining MExFM with high-precision measurements of damping forces, localized or confined spin excitations in magnetic systems of reduced dimensions now become experimentally accessible. Moreover, the combination of spin state read-out and spin state manipulation, based on spin-current induced switching across a vacuum gap by means of SP-STM [9], provides a fascinating novel type of approach towards ultra-high density magnetic recording without the use of magnetic stray fields. [1] R. Wiesendanger, I. V. Shvets, D. Bürgler, G. Tarrach, H.-J. Güntherodt, J. M. D. Coey, and S. Gräser, Science 255, 583 (1992) [2] S. Heinze, M. Bode, O. Pietzsch, A. Kubetzka, X. Nie, S. Blügel, and R. Wiesendanger, Science 288, 1805 (2000) [3] A. Kubetzka, P. Ferriani, M. Bode, S. Heinze, G. Bihlmayer, K. von Bergmann, O. Pietzsch, S. Blügel, and R. Wiesendanger, Phys. Rev. Lett. 94, 087204 (2005) [4] M. Bode, E. Y. Vedmedenko, K. von Bergmann, A. Kubetzka, P. Ferriani, S. Heinze, and R. Wiesendanger, Nature Materials 5, 477 (2006) [5] R. Wiesendanger, H.-J. Güntherodt, G. Güntherodt, R. J. Gambino, and R. Ruf, Phys. Rev. Lett. 65, 247 (1990) [6] K. von Bergmann, S. Heinze, M. Bode, E. Y. Vedmedenko, G. Bihlmayer, S. Blügel, and R. Wiesendanger, Phys. Rev. Lett. 96, 167203 (2006) [7] M. Bode, M. Heide, K. von Bergmann, P. Ferriani, S. Heinze, G. Bihlmayer, A. Kubetzka, O. Pietzsch, S. Blügel, and R. Wiesendanger, Nature 447, 190 (2007) [8] U. Kaiser, A. Schwarz, and R. Wiesendanger, Nature 446, 522 (2007) [9] S. Krause, L. Berbil-Bautista, G. Herzog, M. Bode, and R. Wiesendanger, Science 317, 1537 (2007)

Analytical energy gradient for the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Zou, Wenli; Filatov, Michael; Cremer, Dieter

2015-06-01

The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors.

Intertwined Orders in Heavy-Fermion Superconductor CeCoIn 5

DOE PAGES

Kim, Duk Young; Lin, Shi-Zeng; Weickert, Franziska; ...

2016-12-20

The appearance of spin-density-wave (SDW) magnetic order in the low-temperature and high-field corner of the superconducting phase diagram of CeCoIn 5 is unique among unconventional superconductors. The nature of this magnetic $Q$ phase is a matter of current debate. Here, we present the thermal conductivity of CeCoIn 5 in a rotating magnetic field, which reveals the presence of an additional order inside the $Q$ phase that is intimately intertwined with the superconducting d-wave and SDW orders. A discontinuous change of the thermal conductivity within the $Q$ phase, when the magnetic field is rotated about antinodes of the superconducting d-wave ordermore » parameter, demands that the additional order must change abruptly, together with the recently observed switching of the SDW. Lastly, a combination of interactions, where spin-orbit coupling orients the SDW, which then selects the secondary p -wave pair-density-wave component (with an average amplitude of 20% of the primary d-wave order parameter), accounts for the observed behavior.« less

Spin Diffusion Coefficient of A1-PHASE of Superfluid 3He at Low Temperatures

NASA Astrophysics Data System (ADS)

Afzali, R.; Pashaee, F.

The spin diffusion coefficient tensor of the A1-phase of superfluid 3He at low temperatures and melting pressure is calculated using the Boltzmann equation approach and Pfitzner procedure. Then considering Bogoliubov-normal interaction, we show that the total spin diffusion is proportional to 1/T2, the spin diffusion coefficient of superfluid component D\\uparrowxzxz is proportional to T-2, and the spin diffusion coefficient of super-fluid component D\\uparrowxxxx (=D\\uarrowxyxy) is independent of temperature. Furthermore, it is seen that superfluid components play an important role in spin diffusion of the A1-phase.

Reconstruction of Horizontal Plasma Motions at the Photosphere from Intensitygrams: A Comparison Between DeepVel, LCT, FLCT, and CST

NASA Astrophysics Data System (ADS)

Tremblay, Benoit; Roudier, Thierry; Rieutord, Michel; Vincent, Alain

2018-04-01

Direct measurements of plasma motions in the photosphere are limited to the line-of-sight component of the velocity. Several algorithms have therefore been developed to reconstruct the transverse components from observed continuum images or magnetograms. We compare the space and time averages of horizontal velocity fields in the photosphere inferred from pairs of consecutive intensitygrams by the LCT, FLCT, and CST methods and the DeepVel neural network in order to identify the method that is best suited for generating synthetic observations to be used for data assimilation. The Stein and Nordlund ( Astrophys. J. Lett. 753, L13, 2012) magnetoconvection simulation is used to generate synthetic SDO/HMI intensitygrams and reference flows to train DeepVel. Inferred velocity fields show that DeepVel performs best at subgranular and granular scales and is second only to FLCT at mesogranular and supergranular scales.

Honeycomb artificial spin ice at low temperatures

NASA Astrophysics Data System (ADS)

Zeissler, Katharina; Chadha, Megha; Cohen, Lesley; Branford, Will

2015-03-01

Artificial spin ice is a macroscopic playground for magnetically frustrated systems. It consists of a geometrically ordered but magnetically frustrated arrangement of ferromagnetic macros spins, e.g. an arrangement of single domain ferromagnetic nanowires on a honeycomb lattice. Permalloy and cobalt which have critical temperature scales far above 290 K, are commonly used in the construction of such systems. Previous measurements have shown unusual features in the magnetotransport signature of cobalt honeycomb artificial spin ice at temperatures below 50 K which are due to changes in the artificial spin ice's magnetic reversal. In that case, the artificial spin ice bars were 1 micron long, 100 nm wide and 20 nm thick. Here we explore the low temperature magnetic behavior of honeycomb artificial spin ice structures with a variety of bar dimensions, indirectly via electrical transport, as well as, directly using low temperature magnetic imaging techniques. We discuss the extent to which this change in the magnetic reversal at low temperatures is generic to the honeycomb artificial spin ice geometry and whether the bar dimensions have an influence on its onset temperature. The EPSRC (Grant No. EP/G004765/1; Grant No. EP/L504786/1) and the Leverhulme Trust (Grant No. RPG 2012-692) funded this scientific work.

Reduction of phase noise in nanowire spin orbit torque oscillators

PubMed Central

Yang, Liu; Verba, Roman; Tiberkevich, Vasil; Schneider, Tobias; Smith, Andrew; Duan, Zheng; Youngblood, Brian; Lenz, Kilian; Lindner, Jürgen; Slavin, Andrei N.; Krivorotov, Ilya N.

2015-01-01

Spin torque oscillators (STOs) are compact, tunable sources of microwave radiation that serve as a test bed for studies of nonlinear magnetization dynamics at the nanometer length scale. The spin torque in an STO can be created by spin-orbit interaction, but low spectral purity of the microwave signals generated by spin orbit torque oscillators hinders practical applications of these magnetic nanodevices. Here we demonstrate a method for decreasing the phase noise of spin orbit torque oscillators based on Pt/Ni80Fe20 nanowires. We experimentally demonstrate that tapering of the nanowire, which serves as the STO active region, significantly decreases the spectral linewidth of the generated signal. We explain the observed linewidth narrowing in the framework of the Ginzburg-Landau auto-oscillator model. The model reveals that spatial non-uniformity of the spin current density in the tapered nanowire geometry hinders the excitation of higher order spin-wave modes, thus stabilizing the single-mode generation regime. This non-uniformity also generates a restoring force acting on the excited self-oscillatory mode, which reduces thermal fluctuations of the mode spatial position along the wire. Both these effects improve the STO spectral purity. PMID:26592432

Noncomparative scaling of aromaticity through electron itinerancy

NASA Astrophysics Data System (ADS)

Paul, Satadal; Goswami, Tamal; Misra, Anirban

2015-10-01

Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry.

Field-induced spin-density-wave phases in (TMTSF)2 Cl O4 at high magnetic field: Effect of anion ordering

NASA Astrophysics Data System (ADS)

Haddad, S.; Charfi-Kaddour, S.; Héritier, M.; Bennaceur, R.

2005-08-01

We study the high magnetic field-induced spin-density-wave (FISDW) phases of the relaxed (TMTSF)2ClO4 salt. Due to an orientational ordering of the ClO4 anions, a gap opens at the Fermi surface leading to a two band energy spectrum. We go through the different experimental and theoretical results related to the high field regime of the (TMTSF)2ClO4 phase diagram. We show that, in spite of intensive studies, this phase diagram is still the subject of controversies. We then tackle the issue of analyzing the exotic features of the high field spin-density-wave (SDW) phases. Based on a mean field theory and a renormalization group method, we study the consequences of anion ordering on the stability of the FISFW phases. We show that the presence of a two pairs of Fermi surface gives rise to two types of competing SDW phases. One is due to a single interband nesting process, as in a one band model, while the second originates from two intraband nesting vectors. The latter, for which we derive a generalized instability criterion, has the highest metal-SDW transition temperature and is described by two coexisting order parameters. As the temperature decreases, this coexistence puts at disadvantage the corresponding phase. Eventually, a first order transition takes place to a second SDW phase characterized by a single nesting vector and which appears inside the first one. Within the proposed model, we are able to label the different SDW phases with definite quantum numbers N related to the quantum Hall effect. We argue that the first SDW phase is nothing but the N=0 state whereas the inner phase is the N=1 state. The obtained results are consistent with recent experiments.

Pure spin current injection in hydrogenated graphene structures

NASA Astrophysics Data System (ADS)

Zapata-Peña, Reinaldo; Mendoza, Bernardo S.; Shkrebtii, Anatoli I.

2017-11-01

We present a theoretical study of spin-velocity injection (SVI) of a pure spin current (PSC) induced by linearly polarized light that impinges normally on the surface of two 50% hydrogenated noncentrosymmetric two-dimensional (2D) graphene structures. The first structure, labeled Up and also known as graphone, is hydrogenated only on one side, and the second, labeled Alt, is 25% hydrogenated at both sides. The hydrogenation opens an energy gap on both structures. The PSC formalism has been developed in the length gauge perturbing Hamiltonian, and includes, through the single-particle density matrix, the excited coherent superposition of the spin-split conduction bands inherent to the noncentrosymmetric nature of the structures considered in this work. We analyze two possibilities: in the first, the spin is fixed along a chosen direction, and the resulting SVI is calculated; in the second, we choose the SVI direction along the surface plane, and calculate the resulting spin orientation. This is done by changing the energy ℏ ω and polarization angle α of the incoming light. The results are calculated within a full electronic band structure scheme using the density functional theory (DFT) in the local density approximation (LDA). The maxima of the spin velocities are reached when ℏ ω =0.084 eV and α =35∘ for the Up structure, and ℏ ω =0.720 eV and α =150∘ for the Alt geometry. We find a speed of 668 and 645 km/s for the Up and the Alt structures, respectively, when the spin points perpendicularly to the surface. Also, the response is maximized by fixing the spin-velocity direction along a high-symmetry axis, obtaining a speed of 688 km/s with the spin pointing at 13∘ from the surface normal, for the Up, and 906 km/s and the spin pointing at 60∘ from the surface normal, for the Alt system. These speed values are orders of magnitude larger than those of bulk semiconductors, such as CdSe and GaAs, thus making the hydrogenated graphene structures excellent candidates for spintronics applications.

The Effect of Combined Magnetic Geometries on Thermally Driven Winds. II. Dipolar, Quadrupolar, and Octupolar Topologies

NASA Astrophysics Data System (ADS)

Finley, Adam J.; Matt, Sean P.

2018-02-01

During the lifetime of Sun-like or low-mass stars a significant amount of angular momentum is removed through magnetized stellar winds. This process is often assumed to be governed by the dipolar component of the magnetic field. However, observed magnetic fields can host strong quadrupolar and/or octupolar components, which may influence the resulting spin-down torque on the star. In Paper I, we used the MHD code PLUTO to compute steady-state solutions for stellar winds containing a mixture of dipole and quadrupole geometries. We showed the combined winds to be more complex than a simple sum of winds with these individual components. This work follows the same method as Paper I, including the octupole geometry, which not only increases the field complexity but also, more fundamentally, looks for the first time at combining the same symmetry family of fields, with the field polarity of the dipole and octupole geometries reversing over the equator (unlike the symmetric quadrupole). We show, as in Paper I, that the lowest-order component typically dominates the spin-down torque. Specifically, the dipole component is the most significant in governing the spin-down torque for mixed geometries and under most conditions for real stars. We present a general torque formulation that includes the effects of complex, mixed fields, which predicts the torque for all the simulations to within 20% precision, and the majority to within ≈5%. This can be used as an input for rotational evolution calculations in cases where the individual magnetic components are known.

First-order transitions and thermodynamic properties in the 2D Blume-Capel model: the transfer-matrix method revisited

NASA Astrophysics Data System (ADS)

Jung, Moonjung; Kim, Dong-Hee

2017-12-01

We investigate the first-order transition in the spin-1 two-dimensional Blume-Capel model in square lattices by revisiting the transfer-matrix method. With large strip widths increased up to the size of 18 sites, we construct the detailed phase coexistence curve which shows excellent quantitative agreement with the recent advanced Monte Carlo results. In the deep first-order area, we observe the exponential system-size scaling of the spectral gap of the transfer matrix from which linearly increasing interfacial tension is deduced with decreasing temperature. We find that the first-order signature at low temperatures is strongly pronounced with much suppressed finite-size influence in the examined thermodynamic properties of entropy, non-zero spin population, and specific heat. It turns out that the jump at the transition becomes increasingly sharp as it goes deep into the first-order area, which is in contrast to the Wang-Landau results where finite-size smoothing gets more severe at lower temperatures.

Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franck, John M.; Chandrasekaran, Siddarth; Dzikovski, Boris

2015-06-07

The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis ofmore » the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane, vesicles can be observed. These 2D ELDOR experiments are performed as a function of mixing time, T{sub m}, i.e., the time between the second and third π/2 pulses, which provides a third dimension. In fact, a fourth dimension may be added by varying the ESR frequency/magnetic field combination. Therefore, (3) it is shown how continuous-wave multifrequency ESR studies enable the decomposition of complex dynamics of, e.g., proteins by virtue of their respective time scales. These studies motivate our current efforts that are directed to extend 2D ELDOR to higher frequencies, 95 GHz in particular (from 9 and 17 GHz), in order to enable multi-frequency 2D ELDOR. This required the development of quasi-optical methods for performing the mm-wave experiments, which are summarized. We demonstrate state-of-the-art 95 GHz 2D ELDOR spectroscopy through its ability to resolve the two signals from a spin probe dissolved in both the lipid phase and the coexisting aqueous phase. As current 95 GHz experiments are restricted by limited spectral coverage of the π/2 pulse, as well as the very short T{sub 2} relaxation times of the electron spins, we discuss how these limitations are being addressed.« less

Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2.

PubMed

Solomonik, Victor G; Smirnov, Alexander N; Navarkin, Ilya S

2016-04-14

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.

Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2

NASA Astrophysics Data System (ADS)

Solomonik, Victor G.; Smirnov, Alexander N.; Navarkin, Ilya S.

2016-04-01

The vibrational spectra of group 12 difluorides, MF2 (M = Zn, Cd, Hg), were investigated via coupled cluster singles, doubles, and perturbative triples, CCSD(T), including core correlation, with a series of correlation consistent basis sets ranging in size from triple-zeta through quintuple-zeta quality, which were then extrapolated to the complete basis set (CBS) limit using a variety of extrapolation procedures. The explicitly correlated coupled cluster method, CCSD(T)-F12b, was employed as well. Although exhibiting quite different convergence behavior, the F12b method yielded the CBS limit estimates closely matching more computationally expensive conventional CBS extrapolations. The convergence with respect to basis set size was examined for the contributions entering into composite vibrational spectroscopy, including those from higher-order correlation accounted for through the CCSDT(Q) level of theory, second-order spin-orbit coupling effects assessed within four-component and two-component relativistic formalisms, and vibrational anharmonicity evaluated via a perturbative treatment. Overall, the composite results are in excellent agreement with available experimental values, except for the CdF2 bond-stretching frequencies compared to spectral assignments proposed in a matrix isolation infrared and Raman study of cadmium difluoride vapor species [Loewenschuss et al., J. Chem. Phys. 50, 2502 (1969); Givan and Loewenschuss, J. Chem. Phys. 72, 3809 (1980)]. These assignments are called into question in the light of the composite results.