Second sound experiments in superfluid 3He-A1 phase in high magnetic fields

NASA Astrophysics Data System (ADS)

Bastea, Marina

The Asb1 phase of sp3He is the first observed magnetic superfluid, stable only in the presence of an external magnetic field. Due to the broken relative gauge and spin rotational symmetry, the two associated collective modes, the second sound and the longitudinal spin waves are expected to appear as a single mode which we call the spin-entropy wave. Our work is focused on consistently mapping the behavior of the spin-entropy wave in the superfluid Asb{1} phase of sp3He, under a wide range of experimental conditions. Our results address fundamental questions such as the identification of the order parameter symmetry in the superfluid states, the nature of the pairing state in the Asb1 phase and the superfluid density anisotropy. We extensively investigated the propagation of the spin-entropy wave as a function of temperature, magnetic field between 1 and 8 Tesla and liquid pressure up to 30 bar. Our results show that the superfluid density is directly proportional to the magnitude of the external field in the specified range, as predicted by theory. We discovered that in the vicinity of the transition to the Asb2 phase, over a fairly large temperature range, the spin-entropy wave suffers a divergent attenuation. The observed effects were suggested as evidence for the presence of a minority condensate population, "down spin" pairs, specific for the Asb2 phase, as predicted by Monien and Tewordt. We measured the superfluid density dependence on the pressure between 10 and 30 bar and directly related it to the fourth order coefficients of the Ginzburg-Landau free energy expansion. The pressure dependence of three of these coefficients and their strong coupling corrections was found to be consistent with the theoretical predictions of Sauls and Serene. Our results support the identification of the A phase as the Anderson-Brinkman-Morel axial state and provide an important consistency check for the phase diagram carried out by groups at USC and Cornell. We performed experiments in two different geometries (cylindrical and rectangular) for two relative orientations of the external field and the wave propagation direction, to measure the anisotropy of the superfluid density. We found that the spin-entropy wave propagation exhibits a non-linear character when the external field is perpendicular to the wave-vector. We modeled the textural configuration and the expected response of the system based on the free energy minimization criterion. The results of our theoretical model are in very good agreement with the experimental data.

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

Light-Enhanced Spin Fluctuations and d -Wave Superconductivity at a Phase Boundary

NASA Astrophysics Data System (ADS)

Wang, Yao; Chen, Cheng-Chien; Moritz, B.; Devereaux, T. P.

2018-06-01

Time-domain techniques have shown the potential of photomanipulating existing orders and inducing new states of matter in strongly correlated materials. Using time-resolved exact diagonalization, we perform numerical studies of pump dynamics in a Mott-Peierls system with competing charge and spin density waves. A light-enhanced d -wave superconductivity is observed when the system resides near a quantum phase boundary. By examining the evolution of spin, charge, and superconducting susceptibilities, we show that a subdominant state in equilibrium can be stabilized by photomanipulating the charge order to allow superconductivity to appear and dominate. This work provides an interpretation of light-induced superconductivity from the perspective of order competition and offers a promising approach for designing novel emergent states out of equilibrium.

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Surface Andreev Bound States and Odd-Frequency Pairing in Topological Superconductor Junctions

NASA Astrophysics Data System (ADS)

Tanaka, Yukio; Tamura, Shun

2018-04-01

In this review, we summarize the achievement of the physics of surface Andreev bound states (SABS) up to now. The route of this activity has started from the physics of SABS of unconventional superconductors where the pair potential has a sign change on the Fermi surface. It has been established that SABS can be regarded as a topological edge state with topological invariant defined in the bulk Hamiltonian. On the other hand, SABS accompanies odd-frequency pairing like spin-triplet s-wave or spin-singlet p-wave. In a spin-triplet superconductor junction, induced odd-frequency pairing can penetrate into a diffusive normal metal (DN) attached to the superconductor. It causes so called anomalous proximity effect where the local density of states of quasiparticle in DN has a zero energy peak. When bulk pairing symmetry is spin-triplet px-wave, the anomalous proximity effect becomes prominent and the zero bias voltage conductance is always quantized independent of the resistance in DN and interface. Finally, we show that the present anomalous proximity effect is realized in an artificial topological superconducting system, where a nanowire with spin-orbit coupling and Zeeman field is put on the conventional spin-singlet s-wave superconductor.

“Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- T c superconductors

DOE PAGES

Zhou, Tao; Gao, Yi; Zhu, Jian -Xin

2015-03-07

Recenmore » tly it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d -wave nodal lines (nodal gap) contrasts the common understanding of the d -wave pairing symmetry, which challenges the present theories for the high- T c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high- T c superconductors.« less

Separated spin-up and spin-down quantum hydrodynamics of degenerated electrons: Spin-electron acoustic wave appearance.

PubMed

Andreev, Pavel A

2015-03-01

The quantum hydrodynamic (QHD) model of charged spin-1/2 particles contains physical quantities defined for all particles of a species including particles with spin-up and with spin-down. Different populations of states with different spin directions are included in the spin density (the magnetization). In this paper I derive a QHD model, which separately describes spin-up electrons and spin-down electrons. Hence electrons with different projections of spins on the preferable direction are considered as two different species of particles. It is shown that the numbers of particles with different spin directions do not conserve. Hence the continuity equations contain sources of particles. These sources are caused by the interactions of the spins with the magnetic field. Terms of similar nature arise in the Euler equation. The z projection of the spin density is no longer an independent variable. It is proportional to the difference between the concentrations of the electrons with spin-up and the electrons with spin-down. The propagation of waves in the magnetized plasmas of degenerate electrons is considered. Two regimes for the ion dynamics, the motionless ions and the motion of the degenerate ions as the single species with no account of the spin dynamics, are considered. It is shown that this form of the QHD equations gives all solutions obtained from the traditional form of QHD equations with no distinction of spin-up and spin-down states. But it also reveals a soundlike solution called the spin-electron acoustic wave. Coincidence of most solutions is expected since this derivation was started with the same basic equation: the Pauli equation. Solutions arise due to the different Fermi pressures for the spin-up electrons and the spin-down electrons in the magnetic field. The results are applied to degenerate electron gas of paramagnetic and ferromagnetic metals in the external magnetic field. The dispersion of the spin-electron acoustic waves in the partially spin-polarized degenerate neutron matter are also considered.

Helical Spin Order from Topological Dirac and Weyl Semimetals

DOE PAGES

Sun, Xiao-Qi; Zhang, Shou-Cheng; Wang, Zhong

2015-08-14

In this paper, we study dynamical mass generation and the resultant helical spin orders in topological Dirac and Weyl semimetals, including the edge states of quantum spin Hall insulators, the surface states of weak topological insulators, and the bulk materials of Weyl semimetals. In particular, the helical spin textures of Weyl semimetals manifest the spin-momentum locking of Weyl fermions in a visible manner. Finally, the spin-wave fluctuations of the helical order carry electric charge density; therefore, the spin textures can be electrically controlled in a simple and predictable manner.

Transverse spin and transverse momentum in scattering of plane waves.

PubMed

Saha, Sudipta; Singh, Ankit K; Ray, Subir K; Banerjee, Ayan; Gupta, Subhasish Dutta; Ghosh, Nirmalya

2016-10-01

We study the near field to the far field evolution of spin angular momentum (SAM) density and the Poynting vector of the scattered waves from spherical scatterers. The results show that at the near field, the SAM density and the Poynting vector are dominated by their transverse components. While the former (transverse SAM) is independent of the helicity of the incident circular polarization state, the latter (transverse Poynting vector) depends upon the polarization state. It is further demonstrated that the interference of the transverse electric and transverse magnetic scattering modes enhances both the magnitudes and the spatial extent of the transverse SAM and the transverse momentum components.

Field-induced spin-density wave beyond hidden order in URu2Si2

NASA Astrophysics Data System (ADS)

Knafo, W.; Duc, F.; Bourdarot, F.; Kuwahara, K.; Nojiri, H.; Aoki, D.; Billette, J.; Frings, P.; Tonon, X.; Lelièvre-Berna, E.; Flouquet, J.; Regnault, L.-P.

2016-10-01

URu2Si2 is one of the most enigmatic strongly correlated electron systems and offers a fertile testing ground for new concepts in condensed matter science. In spite of >30 years of intense research, no consensus on the order parameter of its low-temperature hidden-order phase exists. A strong magnetic field transforms the hidden order into magnetically ordered phases, whose order parameter has also been defying experimental observation. Here, thanks to neutron diffraction under pulsed magnetic fields up to 40 T, we identify the field-induced phases of URu2Si2 as a spin-density-wave state. The transition to the spin-density wave represents a unique touchstone for understanding the hidden-order phase. An intimate relationship between this magnetic structure, the magnetic fluctuations and the Fermi surface is emphasized, calling for dedicated band-structure calculations.

Double-Q spin-density wave in iron arsenide superconductors

DOE PAGES

Allred, J. M.; Taddei, K. M.; Bugaris, D. E.; ...

2016-01-25

Elucidating the nature of the magnetic ground state of iron-based superconductors is of paramount importance in unveiling the mechanism behind their high temperature superconductivity. Until recently, it was thought that superconductivity emerges only from an orthorhombic antiferromagnetic stripe phase, which can in principle be described in terms of either localized or itinerant spins. However, we recently reported that tetragonal symmetry is restored inside the magnetically ordered state of certain hole-doped compounds, revealing the existence of a new magnetic phase at compositions close to the onset of superconductivity. Here, we present Mossbauer data that show that half of the iron sitesmore » in this tetragonal phase are non-magnetic, establishing conclusively the existence of a novel magnetic ground state with a non-uniform magnetization that is inconsistent with localized spins. Instead, this state is naturally explained as the interference between two commensurate spin density waves, a rare example of collinear double-Q magnetic order. Finally, our results demonstrate the itinerant character of the magnetism of the iron pnictides, and the primary role played by magnetic degrees of freedom in determining their phase diagram.« less

Spin-Wave Chirality and Its Manifestations in Antiferromagnets

NASA Astrophysics Data System (ADS)

Proskurin, Igor; Stamps, Robert L.; Ovchinnikov, Alexander S.; Kishine, Jun-ichiro

2017-10-01

As first demonstrated by Tang and Cohen in chiral optics, the asymmetry in the rate of electromagnetic energy absorption between left and right enantiomers is determined by an optical chirality density. Here, we demonstrate that this effect can exist in magnetic spin systems. By constructing a formal analogy with electrodynamics, we show that in antiferromagnets with broken chiral symmetry, the asymmetry in local spin-wave energy absorption is proportional to a spin-wave chirality density, which is a direct counterpart of optical zilch. We propose that injection of a pure spin current into an antiferromagnet may serve as a chiral symmetry breaking mechanism, since its effect in the spin-wave approximation can be expressed in terms of additional Lifshitz invariants. We use linear response theory to show that the spin current induces a nonequilibrium spin-wave chirality density.

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

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

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE PAGES

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas; ...

2017-12-21

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Spin wave amplification using the spin Hall effect in permalloy/platinum bilayers

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

Gladii, O.; Henry, Y.; Bailleul, M.

2016-05-16

We investigate the effect of an electrical current on the attenuation length of a 900 nm wavelength spin-wave in a permalloy/Pt bilayer using propagating spin-wave spectroscopy. The modification of the spin-wave relaxation rate is linear in current density, reaching up to 14% for a current density of 2.3 × 10{sup 11} A/m{sup 2} in Pt. This change is attributed to the spin transfer torque induced by the spin Hall effect and corresponds to an effective spin Hall angle of 0.13, which is among the highest values reported so far. The spin Hall effect thus appears as an efficient way of amplifying/attenuating propagating spin waves.

Genesis of charge orders in high temperature superconductors

PubMed Central

Tu, Wei-Lin; Lee, Ting-Kuo

2016-01-01

One of the most puzzling facts about cuprate high-temperature superconductors in the lightly doped regime is the coexistence of uniform superconductivity and/or antiferromagnetism with many low-energy charge-ordered states in a unidirectional charge density wave or a bidirectional checkerboard structure. Recent experiments have discovered that these charge density waves exhibit different symmetries in their intra-unit-cell form factors for different cuprate families. Using a renormalized mean-field theory for a well-known, strongly correlated model of cuprates, we obtain a number of charge-ordered states with nearly degenerate energies without invoking special features of the Fermi surface. All of these self-consistent solutions have a pair density wave intertwined with a charge density wave and sometimes a spin density wave. Most of these states vanish in the underdoped regime, except for one with a large d-form factor that vanishes at approximately 19% doping of the holes, as reported by experiments. Furthermore, these states could be modified to have a global superconducting order, with a nodal-like density of states at low energy. PMID:26732076

Holon Wigner Crystal in a Lightly Doped Kagome Quantum Spin Liquid

DOE PAGES

Jiang, Hong -Chen; Devereaux, T.; Kivelson, S. A.

2017-08-07

We address the problem of a lightly doped spin liquid through a large-scale density-matrix renormalization group study of the t–J model on a kagome lattice with a small but nonzero concentration δ of doped holes. It is now widely accepted that the undoped (δ = 0) spin-1/2 Heisenberg antiferromagnet has a spin-liquid ground state. Theoretical arguments have been presented that light doping of such a spin liquid could give rise to a high temperature superconductor or an exotic topological Fermi liquid metal. Instead, we infer that the doped holes form an insulating charge-density wave state with one doped hole permore » unit cell, i.e., a Wigner crystal. Spin correlations remain short ranged, as in the spin-liquid parent state, from which we infer that the state is a crystal of spinless holons, rather than of holes. In conclusion, our results may be relevant to kagome lattice herbertsmithite upon doping.« less

Spin waves in planar quasicrystal of Penrose tiling

NASA Astrophysics Data System (ADS)

Rychły, J.; Mieszczak, S.; Kłos, J. W.

2018-03-01

We investigated two-dimensional magnonic structures which are the counterparts of photonic quasicrystals forming Penrose tiling. We considered the slab composed of Ni (or Py) disks embedded in Fe (or Co) matrix. The disks are arranged in quasiperiodic Penrose-like structure. The infinite quasicrystal was approximated by its rectangular section with periodic boundary conditions applied. This approach allowed us to use the plane wave method to find the frequency spectrum of eigenmodes for spin waves and their spatial profiles. The calculated integrated density of states shows more distinctive magnonic gaps for the structure composed of materials of high magnetic contrast (Ni and Fe) and relatively high filling fraction. This proves the impact of quasiperiodic long-range order on the spectrum of spin waves. We also investigated the localization of spin wave eingenmodes resulting from the quasiperiodicity of the structure.

Ising tricriticality in the extended Hubbard model with bond dimerization

NASA Astrophysics Data System (ADS)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

Two-magnon excitations in resonant inelastic x-ray scattering studied within spin density wave formalism

NASA Astrophysics Data System (ADS)

Nomura, Takuji

2017-10-01

We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal K edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model (d -p model) for a typical insulating cuprate La2CuO4 . For the antiferromagnetic ground state within the spin density wave (SDW) mean-field formalism, we calculate the dynamical correlation function within the random-phase approximation (RPA), and then obtain two-magnon excitation spectra by calculating the convolution of it. Coupling between the K -shell hole and the magnons in the intermediate state is calculated by means of diagrammatic perturbation expansion in the Coulomb interaction. The calculated momentum dependence of RIXS spectra agrees well with that of experiments. A notable difference from previous calculations based on the Heisenberg spin models is that RIXS spectra have a large two-magnon weight near the zone center, which may be confirmed by further careful high-resolution experiments.

Density-of-state oscillation of quasiparticle excitation in the spin density wave phase of (TMTSF)2ClO4.

PubMed

Uji, S; Kimata, M; Moriyama, S; Yamada, J; Graf, D; Brooks, J S

2010-12-31

Systematic measurements of the magnetocaloric effect, heat capacity, and magnetic torque under a high magnetic field up to 35 T are performed in the spin density wave (SDW) phase of a quasi-one-dimensional organic conductor (TMTSF)2ClO4. In the SDW phase above 26 T, where the quantum Hall effect is broken, rapid oscillations (ROs) in these thermodynamic quantities are observed, which provides clear evidence of the density-of-state (DOS) oscillation near the Fermi level. The resistance is semiconducting and the heat capacity divided by temperature is extrapolated to zero at 0 K in the SDW phase, showing that all the energy bands are gapped, and there is no DOS at the Fermi level. The results show that the ROs are ascribed to the DOS oscillation of the quasiparticle excitation.

Many-body instabilities and mass generation in slow Dirac materials

NASA Astrophysics Data System (ADS)

Triola, Christopher; Zhu, Jian-Xin; Migliori, Albert; Balatsky, Alexander V.

2015-07-01

Some Kondo insulators are expected to possess topologically protected surface states with linear Dirac spectrum: the topological Kondo insulators. Because the bulk states of these systems typically have heavy effective electron masses, the surface states may exhibit extraordinarily small Fermi velocities that could force the effective fine structure constant of the surface states into the strong coupling regime. Using a tight-binding model, we study the many-body instabilities of these systems and identify regions of parameter space in which the system exhibits spin density wave and charge density wave order.

The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function.

PubMed

Giner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Malrieu, Jean-Paul

2016-09-28

The impact of the antisymmetrization is often addressed as a local property of the many-electron wave function, namely that the wave function should vanish when two electrons with parallel spins are in the same position in space. In this paper, we emphasize that this presentation is unduly restrictive: we illustrate the strong non-local character of the antisymmetrization principle, together with the fact that it is a matter of spin symmetry rather than spin parallelism. To this aim, we focus our attention on the simplest representation of various states of two-electron systems, both in atomic (helium atom) and molecular (H 2 and the π system of the ethylene molecule) cases. We discuss the non-local property of the nodal structure of some two-electron wave functions, both using analytical derivations and graphical representations of cuttings of the nodal hypersurfaces. The attention is then focussed on the impact of the antisymmetrization on the maxima of the two-body density, and we show that it introduces strong correlation effects (radial and/or angular) with a non-local character. These correlation effects are analyzed in terms of inflation and depletion zones, which are easily identifiable, thanks to the nodes of the orbitals composing the wave function. Also, we show that the correlation effects induced by the antisymmetrization occur also for anti-parallel spins since all M s components of a given spin state have the same N-body densities. Finally, we illustrate that these correlation effects occur also for the singlet states, but they have strictly opposite impacts: the inflation zones in the triplet become depletion zones in the singlet and vice versa.

Charge and current orders in the spin-fermion model with overlapping hot spots

NASA Astrophysics Data System (ADS)

Volkov, Pavel A.; Efetov, Konstantin B.

2018-04-01

Experiments carried over the last years on the underdoped cuprates have revealed a variety of symmetry-breaking phenomena in the pseudogap state. Charge-density waves, breaking of C4 rotational symmetry as well as time-reversal symmetry breaking have all been observed in several cuprate families. In this regard, theoretical models where multiple nonsuperconducting orders emerge are of particular interest. We consider the recently introduced [Volkov and Efetov, Phys. Rev. B 93, 085131 (2016), 10.1103/PhysRevB.93.085131] spin-fermion model with overlapping `hot spots' on the Fermi surface. Focusing on the particle-hole instabilities we obtain a rich phase diagram with the chemical potential relative to the dispersion at (0 ,π );(π ,0 ) and the Fermi surface curvature in the antinodal regions being the control parameters. We find evidence for d-wave Pomeranchuk instability, d-form factor charge density waves, as well as commensurate and incommensurate staggered bond current phases similar to the d-density wave state. The current orders are found to be promoted by the curvature. Considering the appropriate parameter range for the hole-doped cuprates, we discuss the relation of our results to the pseudogap state and incommensurate magnetic phases of the cuprates.

Langmuir instability in partially spin polarized bounded degenerate plasma

NASA Astrophysics Data System (ADS)

Iqbal, Z.; Jamil, M.; Murtaza, G.

2018-04-01

Some new features of waves inside the cylindrical waveguide on employing the separated spin evolution quantum hydrodynamic model are evoked. Primarily, the instability of Langmuir wave due to the electron beam in a partially spin polarized degenerate plasma considering a nano-cylindrical geometry is discussed. Besides, the evolution of a new spin-dependent wave (spin electron acoustic wave) due to electron spin polarization effects in the real wave spectrum is elaborated. Analyzing the growth rate, it is found that in the absence of Bohm potential, the electron spin effects or exchange interaction reduce the growth rate as well as k-domain but the inclusion of Bohm potential increases both the growth rate and k-domain. Further, we investigate the geometry effects expressed by R and pon and find that they have opposite effects on the growth rate and k-domain of the instability. Additionally, how the other parameters like electron beam density or streaming speed of beam electrons influence the growth rate is also investigated. This study may find its applications for the signal analysis in solid state devices at nanoscales.

Spin flux and magnetic solitons in an interacting two-dimensional electron gas: Topology of two-valued wave functions

NASA Astrophysics Data System (ADS)

John, Sajeev; Golubentsev, Andrey

1995-01-01

It is suggested that an interacting many-electron system in a two-dimensional lattice may condense into a topological magnetic state distinct from any discussed previously. This condensate exhibits local spin-1/2 magnetic moments on the lattice sites but is composed of a Slater determinant of single-electron wave functions which exist in an orthogonal sector of the electronic Hilbert space from the sector describing traditional spin-density-wave or spiral magnetic states. These one-electron spinor wave functions have the distinguishing property that they are antiperiodic along a closed path encircling any elementary plaquette of the lattice. This corresponds to a 2π rotation of the internal coordinate frame of the electron as it encircles the plaquette. The possibility of spinor wave functions with spatial antiperiodicity is a direct consequence of the two-valuedness of the internal electronic wave function defined on the space of Euler angles describing its spin. This internal space is the topologically, doubly-connected, group manifold of SO(3). Formally, these antiperiodic wave functions may be described by passing a flux which couples to spin (rather than charge) through each of the elementary plaquettes of the lattice. When applied to the two-dimensional Hubbard model with one electron per site, this new topological magnetic state exhibits a relativistic spectrum for charged, quasiparticle excitations with a suppressed one-electron density of states at the Fermi level. For a topological antiferromagnet on a square lattice, with the standard Hartree-Fock, spin-density-wave decoupling of the on-site Hubbard interaction, there is an exact mapping of the low-energy one-electron excitation spectrum to a relativistic Dirac continuum field theory. In this field theory, the Dirac mass gap is precisely the Mott-Hubbard charge gap and the continuum field variable is an eight-component Dirac spinor describing the components of physical electron-spin amplitude on each of the four sites of the elementary plaquette in the original Hubbard model. Within this continuum model we derive explicitly the existence of hedgehog Skyrmion textures as local minima of the classical magnetic energy. These magnetic solitons carry a topological winding number μ associated with the vortex rotation of the background magnetic moment field by a phase angle 2πμ along a path encircling the soliton. Such solitons also carry a spin flux of μπ through the plaquette on which they are centered. The μ=1 hedgehog Skyrmion describes a local transition from the topological (antiperiodic) sector of the one-electron Hilbert space to the nontopological sector. We derive from first principles the existence of deep level localized electronic states within the Mott-Hubbard charge gap for the μ=1 and 2 solitons. The spectrum of localized states is symmetric about E=0 and each subgap electronic level can be occupied by a pair of electrons in which one electron resides primarily on one sublattice and the second electron on the other sublattice. It is suggested that flux-carrying solitons and the subgap electronic structure which they induce are important in understanding the physical behavior of doped Mott insulators.

Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theory.

PubMed

Giner, Emmanuel; Angeli, Celestino

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl2 and [CuCl4](2-) systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that each valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.

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.

Influence of the local-spin-density correlation functional on the stability of bcc ferromagnetic iron

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

Singh, D.; Clougherty, D.P.; MacLaren, J.M.

1991-10-01

The influence of local-spin-dependent correlation effects on the predicted stable ground-state phase of iron is reexamined with use of general-potential linearized augmented-plane-wave calculations. Differences in the form of the Vosko-Wilk-Nusair (VWN) local-spin-density functional used in previous studies are noted, since in previous studies significant additional approximations were made with respect to those of Vosko, Wilk, and Nusan (Can. J. Phys. 58, 1200 (1980)) and of MacLaren, Clougherty, and Albers (Phys. Rev. B 42, 3205 (1990)). While the results of previous linear muffin-tin orbital calculations using the VWN functional predict a bcc ferromagnetic ground state, the present calculations show that themore » VWN spin-correlation effects fail to stabilize a bcc ground state. Considerable sensitivity to the form of the spin interpolation is found.« less

Emergent Topological order from Spin-Orbit Density wave

NASA Astrophysics Data System (ADS)

Gupta, Gaurav; Das, Tanmoy

We study the emergence of a Z2 -type topological order because of Landau type symmetry breaking order parameter. When two Rashba type SOC bands of different chirality become nested by a magic wavevector [(0, ∖pi) or (∖pi,0)], it introduces the inversion of chirality between different lattice sites. Such a density wave state is known as spin-orbit density wave. The resulting quantum order is associated with the topological order which is classified by a Z2 invariant. So, this system can simultaneously be classified by both a symmetry breaking order parameter and the associated Z2 topological invariant. This order parameter can be realized or engineered in two- or quasi-two-dimensional fermionic lattices, quantum wires, with tunable RSOC and correlation strength. The work is facilitated by the computer cluster facility at Department of Physics, Indian Institute of Science.

Quantum oscillations in the anomalous spin density wave state of FeAs

DOE PAGES

Campbell, Daniel J.; Eckberg, Chris; Wang, Kefeng; ...

2017-08-10

Quantum oscillations in the binary antiferromagnetic metal FeAs are presented and compared to theoretical predictions for the electronic band structure in the anomalous spin density wave state of this material. Demonstrating a method for growing single crystals out of Bi flux, we utilize the highest quality FeAs to perform torque magnetometry experiments up to 35 T, using rotations of field angle in two planes to provide evidence for one electron and one hole band in the magnetically ordered state. Finally, the resulting picture agrees with previous experimental evidence for multiple carriers at low temperatures, but the exact Fermi surface shapemore » differs from predictions, suggesting that correlations play a role in deviation from ab initio theory and cause up to a fourfold enhancement in the effective carrier mass.« less

Nonperturbative parton distributions and the proton spin problem

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

Simonov, Yu. A., E-mail: simonov@itep.ru

2016-05-15

The Lorentz contracted form of the static wave functions is used to calculate the valence parton distributions for mesons and baryons, boosting the rest frame solutions of the path integral Hamiltonian. It is argued that nonperturbative parton densities are due to excitedmultigluon baryon states. A simplemodel is proposed for these states ensuring realistic behavior of valence and sea quarks and gluon parton densities at Q{sup 2} = 10 (GeV/c){sup 2}. Applying the same model to the proton spin problem one obtains Σ{sub 3} = 0.18 for the same Q{sup 2}.

Single Spin Superconductivity: Bulk and Junction Effects

NASA Astrophysics Data System (ADS)

Rudd, Robert E.; Pickett, Warren E.

1998-03-01

The Josephson Effect provides a primary signature of single spin superconductivity (SSS), the as yet unobserved superconducting state which was proposed recently(W.E. Pickett, Phys. Rev. Lett. 77), 3185 (1996). as a low temperature phase of half-metallic antiferromagnets.(W.E. Pickett, ``Spin Density Functional Based Search for Half-Metallic Antiferromagnets,'' cond-mat/9709100 (1997).) These materials are insulating in the spin-down channel but are metallic in the spin-up channel. The SSS state is characterized by a unique form of p-wave pairing within a single spin channel.(R.E. Rudd and W.E. Pickett, ``Single Spin Superconductivity:Formulation and Ginzburg-Landau Theory,'' Phys. Rev. B. in press) We develop the theory of a rich variety of Josephson effects that arise due to the form of the SSS order parameter. Tunneling is allowed at a SSS-SSS^' junction depending on the relative orientation of each of their order parameters (SSS and HM AFM). No current flows between an SSS and an s-wave BCS system, which provides a powerful method to distinguish SSS from other superconducting states.

Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

NASA Astrophysics Data System (ADS)

Urru, Andrea; Dal Corso, Andrea

2018-05-01

We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

Topological Crystalline Superconductivity in Locally Noncentrosymmetric Multilayer Superconductors

NASA Astrophysics Data System (ADS)

Yoshida, Tomohiro; Sigrist, Manfred; Yanase, Youichi

2015-07-01

Topological crystalline superconductivity in locally noncentrosymmetric multilayer superconductors (SCs) is proposed. We study the odd-parity pair-density wave (PDW) state induced by the spin-singlet pairing interaction through the spin-orbit coupling. It is shown that the PDW state is a topological crystalline SC protected by a mirror symmetry, although it is topologically trivial according to the classification based on the standard topological periodic table. The topological property of the mirror subsectors is intuitively explained by adiabatically changing the Bogoliubov-de Gennes Hamiltonian. A subsector of the bilayer PDW state reduces to the two-dimensional noncentrosymmetric SC, while a subsector of the trilayer PDW state is topologically equivalent to the spinless p -wave SC. Chiral Majorana edge modes in trilayers can be realized without Cooper pairs in the spin-triplet channel and chemical potential tuning.

Topological Crystalline Superconductivity in Locally Noncentrosymmetric Multilayer Superconductors.

PubMed

Yoshida, Tomohiro; Sigrist, Manfred; Yanase, Youichi

2015-07-10

Topological crystalline superconductivity in locally noncentrosymmetric multilayer superconductors (SCs) is proposed. We study the odd-parity pair-density wave (PDW) state induced by the spin-singlet pairing interaction through the spin-orbit coupling. It is shown that the PDW state is a topological crystalline SC protected by a mirror symmetry, although it is topologically trivial according to the classification based on the standard topological periodic table. The topological property of the mirror subsectors is intuitively explained by adiabatically changing the Bogoliubov-de Gennes Hamiltonian. A subsector of the bilayer PDW state reduces to the two-dimensional noncentrosymmetric SC, while a subsector of the trilayer PDW state is topologically equivalent to the spinless p-wave SC. Chiral Majorana edge modes in trilayers can be realized without Cooper pairs in the spin-triplet channel and chemical potential tuning.

Fractionalized Fermi liquid with bosonic chargons as a candidate for the pseudogap metal

NASA Astrophysics Data System (ADS)

Chatterjee, Shubhayu; Sachdev, Subir

2016-11-01

Doping a Mott-insulating Z2 spin liquid can lead to a fractionalized Fermi liquid (FL*). Such a phase has several favorable features that make it a candidate for the pseudogap metal for the underdoped cuprates. We focus on a particular, simple Z2-FL* state which can undergo a confinement transition to a spatially uniform superconductor which is smoothly connected to the "plain vanilla" BCS superconductor with d -wave pairing. Such a transition occurs by the condensation of bosonic particles carrying +e charge but no spin ("chargons"). We show that modifying the dispersion of the bosonic chargons can lead to confinement transitions with charge density waves and pair density waves at the same wave vector K , coexisting with d -wave superconductivity. We also compute the evolution of the Hall number in the normal state during the transition from the plain vanilla FL* state to a Fermi liquid, and argue, following Coleman, Marston, and Schofield [Phys. Rev. B 72, 245111 (2005), 10.1103/PhysRevB.72.245111], that it exhibits a discontinuous jump near optimal doping. We note the distinction between these results and those obtained from models of the pseudogap with fermionic chargons.

Metal-ligand delocalization and spin density in the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} molecules: Some insights from wave function theory

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

Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it

2015-09-28

The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that eachmore » valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.« less

Spin-polarized density-matrix functional theory of the single-impurity Anderson model

NASA Astrophysics Data System (ADS)

Töws, W.; Pastor, G. M.

2012-12-01

Lattice density functional theory (LDFT) is used to investigate spin excitations in the single-impurity Anderson model. In this method, the single-particle density matrix γijσ with respect to the lattice sites replaces the wave function as the basic variable of the many-body problem. A recently developed two-level approximation (TLA) to the interaction-energy functional W[γ] is extended to systems having spin-polarized density distributions and bond orders. This allows us to investigate the effect of external magnetic fields and, in particular, the important singlet-triplet gap ΔE, which determines the Kondo temperature. Applications to finite Anderson rings and square lattices show that the gap ΔE as well as other ground-state and excited-state properties are very accurately reproduced. One concludes that the spin-polarized TLA is reliable in all interaction regimes, from weak to strong correlations, for different hybridization strengths and for all considered impurity valence states. In this way the efficiency of LDFT to account for challenging electron-correlation effects is demonstrated.

Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(0 0 1) surface: First application of approximate spin projection (AP) method to plane wave basis

NASA Astrophysics Data System (ADS)

Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo

2018-06-01

Spin contamination error in the total energy of the Au2/MgO system was estimated using the density functional theory/plane-wave scheme and approximate spin projection methods. This is the first investigation in which the errors in chemical phenomena on a periodic surface are estimated. The spin contamination error of the system was 0.06 eV. This value is smaller than that of the dissociation of Au2 in the gas phase (0.10 eV). This is because of the destabilization of the singlet spin state due to the weakening of the Au-Au interaction caused by the Au-MgO interaction.

Detecting π-phase superfluids with p-wave symmetry in a quasi-1D optical lattice

NASA Astrophysics Data System (ADS)

Liu, Bo; Li, Xiaopeng; Hulet, Randall G.; Liu, W. Vincent

2016-05-01

We propose an experimental protocol to create a p-wave superfluid in a spin-polarized cold Fermi gas tuned by an s-wave Feshbach resonance. A crucial ingredient is to add an anisotropic 3D optical lattice and tune the fillings of two spins to the s and p band, respectively. The pairing order parameter is confirmed to inherit p-wave symmetry in its center-of-mass motion. We find that it can further develop into a state of unexpected π-phase modulation in a broad parameter regime. Experimental signatures are predicted in the momentum distributions, density of states and spatial densities for a realistic experimental setup. The π-phase p-wave superfluid is reminiscent of the π-state in superconductor-ferromagnet heterostructures but differs in symmetry and physical origin. The spatially-varying phases of the superfluid gap provide a novel approach to synthetic magnetic fields for neutral atoms. It would represent another example of p-wave pairing, first discovered in He-3 liquids. Work supported in part by U.S. ARO, AFOSR, NSF, ONR, Charles E. Kaufman Foundation, and The Pittsburgh Foundation, LPS-MPO-CMTC, JQI-NSF-PFC, ARO-Atomtronics-MURI, the Welch Foundation, ARO-MURI and NSF of China.

Ab Initio study on structural, electronic, magnetic and dielectric properties of LSNO within Density Functional Perturbation Theory

NASA Astrophysics Data System (ADS)

Petersen, John; Bechstedt, Friedhelm; Furthmüller, Jürgen; Scolfaro, Luisa

LSNO (La2-xSrxNiO4) is of great interest due to its colossal dielectric constant (CDC) and rich underlying physics. While being an antiferromagnetic insulator, localized holes are present in the form of stripes in the Ni-O planes which are commensurate with the inverse of the Sr concentration. The stripes are a manifestation of charge density waves with period approximately 1/x and spin density waves with period approximately 2/x. Here, the spin ground state is calculated via LSDA + U with the PAW method implemented in VASP. Crystal structure and the effective Hubbard U parameter are optimized before calculating ɛ∞ within the independent particle approximation. ɛ∞ and the full static dielectric constant (including the lattice polarizability) ɛ0 are calculated within Density Functional Perturbation Theory.

The unrestricted Hartree-Fock self consistent field calculation for spin density wave state in metallic carbon nanotube

NASA Astrophysics Data System (ADS)

Kobayashi, Katsushi

1997-06-01

The possibility of a spin density wave (SDW) state in a metallic carbon nanotube (CN) and its electronic properties are investigated within the Hartree-Fock self consistent field (SCF) energy-band calculation. Two kinds of spatial SDW states are assumed in this study. Each assumed SDW on the wave function is constructed with the degenerate π orbital in the metallic CN system. The results calculated for the one SDW model of CN always have a relative stability (˜ 0.1 eV/cell) in SCF total energy compared with the original model in which no SDW is assumed. All the results calculated for another SDW model are completely equal to the original one. Moreover, in the energy dispersion of the former stable SDW model, the degenerate π level found in the original model disappears and the band gap (3-5 eV) occurs around at the Fermi level. The energetic stability and the band gap are also found in the π-electron band calculation within the Hubbard Hamiltonian.

Local density of states in two-dimensional topological superconductors under a magnetic field: Signature of an exterior Majorana bound state

NASA Astrophysics Data System (ADS)

Suzuki, Shu-Ichiro; Kawaguchi, Yuki; Tanaka, Yukio

2018-04-01

We study quasiparticle states on a surface of a topological insulator (TI) with proximity-induced superconductivity under an external magnetic field. An applied magnetic field creates two Majorana bound states: a vortex Majorana state localized inside a vortex core and an exterior Majorana state localized along a circle centered at the vortex core. We calculate the spin-resolved local density of states (LDOS) and demonstrate that the shrinking of the radius of the exterior Majorana state, predicted in R. S. Akzyanov et al., Phys. Rev. B 94, 125428 (2016), 10.1103/PhysRevB.94.125428, under a strong magnetic field can be seen in LDOS without smeared out by nonzero-energy states. The spin-resolved LDOS further reveals that the spin of the exterior Majorana state is strongly spin-polarized. Accordingly, the induced odd-frequency spin-triplet pairs are found to be spin-polarized as well. In order to detect the exterior Majorana states, however, the Fermi energy should be closed to the Dirac point to avoid contributions from continuum levels. We also study a different two-dimensional topological-superconducting system where a two-dimensional electron gas with the spin-orbit coupling is sandwiched between an s -wave superconductor and a ferromagnetic insulator. We show that the radius of an exterior Majorana state can be tuned by an applied magnetic field. However, on the contrary to the results at a TI surface, neither the exterior Majorana state nor the induced odd-frequency spin-triplet pairs are spin-polarized. We conclude that the spin polarization of the Majorana state is attributed to the spin-polarized Landau level, which is characteristic for systems with the Dirac-like dispersion.

Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr2 IrO4

NASA Astrophysics Data System (ADS)

Zhou, Sen; Jiang, Kun; Chen, Hua; Wang, Ziqiang

2017-10-01

Analogs of the high-Tc cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5 d perovskite iridates Sr2 IrO4 exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d -wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating Jeff=1 /2 spin current can be probed by advanced techniques of spin-current detection in spintronics. This electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5 d orbitals, turning the metallic state into an electron-doped quasi-2D Dirac semimetal with important implications on the possible superconducting state suggested by recent experiments.

Coexistence of long-range cycloidal order and spin-cluster glass state in the multiferroic BaYFeO4.

PubMed

Ghara, Somnath; Sundaresan, A

2018-06-20

We report the presence of spin glass state below the cycloidal spin ordering in the multiferroic BaYFeO 4 . This compound is known to crystallize in an orthorhombic structure with a centrosymmetric space group Pnma and exhibits two successive antiferromagnetic phase transitions. Upon cooling, it undergoes a spin density wave (SDW)-like antiferromagnetic ordering at T N1 ~ 48 K and a cycloidal ordering at T N2 ~ 35 K. Using dc magnetic memory effect and magnetization relaxation studies, we have shown that this oxide undergoes a reentrant spin glass transition below T * ~ 17 K. Our analysis suggests the presence of spin clusters in the glassy state. The coexistence of spin-cluster glass and long-range cycloidal ordered states results in an exchange bias effect at 2 K. The origin of the glassy state has been attributed to freezing of some Fe 3+ moments, which do not participate in the long-range ordering.

Coexistence of long-range cycloidal order and spin-cluster glass state in the multiferroic BaYFeO4

NASA Astrophysics Data System (ADS)

Ghara, Somnath; Sundaresan, A.

2018-06-01

We report the presence of spin glass state below the cycloidal spin ordering in the multiferroic BaYFeO4. This compound is known to crystallize in an orthorhombic structure with a centrosymmetric space group Pnma and exhibits two successive antiferromagnetic phase transitions. Upon cooling, it undergoes a spin density wave (SDW)-like antiferromagnetic ordering at T N1 ~ 48 K and a cycloidal ordering at T N2 ~ 35 K. Using dc magnetic memory effect and magnetization relaxation studies, we have shown that this oxide undergoes a reentrant spin glass transition below T * ~ 17 K. Our analysis suggests the presence of spin clusters in the glassy state. The coexistence of spin-cluster glass and long-range cycloidal ordered states results in an exchange bias effect at 2 K. The origin of the glassy state has been attributed to freezing of some Fe3+ moments, which do not participate in the long-range ordering.

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

PubMed

Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

2017-01-17

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than being a function of the spin-up and spin-down densities. In work carried out so far, the multiconfigurational wave function is a multiconfiguration self-consistent-field wave function. The new formulation has the advantage that the reference wave function has the correct spatial and spin symmetry and can describe bond dissociation (of both single and multiple bonds) and electronic excitations in a formally and physically correct way. We then review the formulation of density functionals in terms of the on-top pair density. Finally we review successful applications of the theory to bond energies and bond dissociation potential energy curves of main-group and transition metal bonds, to barrier heights (including pericyclic reactions), to proton affinities, to the hydrogen bond energy of water dimer, to ground- and excited-state charge transfer, to valence and Rydberg excitations of molecules, and to singlet-triplet splittings of radicals. We find that that MC-PDFT can give accurate results not only with complete-active-space multiconfiguration wave functions but also with generalized-active-space multiconfiguration wave functions, which are practical for larger numbers of active electrons and active orbitals than are complete-active-space wave functions. The separated-pair approximation, which is a special case of generalized active space self-consistent-field theory, is especially promising. MC-PDFT, because it requires much less computer time and storage than pure WFT methods, has the potential to open larger and more complex strongly correlated systems to accurate simulation.

Local spin density functional investigations of a manganite with perovskite-type derived structures

NASA Astrophysics Data System (ADS)

Matar, S. F.; Studer, F.; Siberchicot, B.; Subramanian, M. A.; Demazeau, G.; Etourneau, J.

1998-11-01

The electronic and magnetic structures of the perovskite CaMnO3 are self-consistently calculated assuming two crystal structures at the same formula unit volume within the local spin density functional theory and the augmented spherical wave (ASW) method. From the comparisons of energy differences between the different magnetic states the ground state configuration is an insulator with G-type ordering. This result together with the magnitudes of the magnetic moments are in agreement with experiment. The influence of mixing between Mn and O is found spin dependent from the analysis of the crystal orbital overlap population (COOP) which enable to describe the chemical bond. The calculations underline a feature of a half metallic ferromagnet which could be connected with the colossal magnetoresistance (CMR) property of related compounds.

Spin excitations in optimally P-doped BaFe 2 ( As 0.7 P 0.3 ) 2 superconductor

DOE PAGES

Hu, Ding; Yin, Zhiping; Zhang, Wenliang; ...

2016-09-02

We use inelastic neutron scattering to study temperature and energy dependence of spin excitations in optimally P-doped BaFe 2(As 0:7P 0:3) 2 superconductor (T c = 30 K) throughout the Brillouin zone. In the undoped state, spin waves and paramagnetic spin excitations of BaFe 2As 2 stem from antiferromagnetic (AF) ordering wave vector QAF = ( 1; 0) and peaks near zone boundary at ( 1; 1) around 180 meV. Replacing 30% As by smaller P to induce superconductivity, low-energy spin excitations of BaFe 2(As 0:7P 0:3) 2 form a resonance in the superconducting state and high-energy spin excitations nowmore » peaks around 220 meV near ( 1; 1). These results are consistent with calculations from a combined density functional theory and dynamical mean field theory, and suggest that the decreased average pnictogen height in BaFe 2(As 0:7P 0:3) 2 reduces the strength of electron correlations and increases the effective bandwidth of magnetic excitations.« less

Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

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

Wu, Xiaohua; Zhang, Xiaoli; Wang, Xianlong

2016-04-15

The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-electronmore » interaction and charge density wave (CDW) caused by electron-phonon coupling. We have found that an antiferromagnetic Mott-insulating state defined by SDW is the ground state of ZVNRs. In particular, SDW in ZVNRs displays several surprising characteristics:1) comparing with other nanoribbon systems, their magnetic moments are antiparallelly arranged at each zigzag edge and almost independent on the width of nanoribbons; 2) comparing with other SDW systems, its magnetic moments and band gap of SDW are unexpectedly large, indicating a higher SDW transition temperature in ZVNRs; 3) SDW can be effectively modified by strains and charge doping, which indicates that ZVNRs have bright prospects in nanoelectronic device.« less

The impacts of the quantum-dot confining potential on the spin-orbit effect.

PubMed

Li, Rui; Liu, Zhi-Hai; Wu, Yidong; Liu, C S

2018-05-09

For a nanowire quantum dot with the confining potential modeled by both the infinite and the finite square wells, we obtain exactly the energy spectrum and the wave functions in the strong spin-orbit coupling regime. We find that regardless of how small the well height is, there are at least two bound states in the finite square well: one has the σ x [Formula: see text] = -1 symmetry and the other has the σ x [Formula: see text] = 1 symmetry. When the well height is slowly tuned from large to small, the position of the maximal probability density of the first excited state moves from the center to x ≠ 0, while the position of the maximal probability density of the ground state is always at the center. A strong enhancement of the spin-orbit effect is demonstrated by tuning the well height. In particular, there exists a critical height [Formula: see text], at which the spin-orbit effect is enhanced to maximal.

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

Andreev, Pavel A., E-mail: andreevpa@physics.msu.ru; Kuz’menkov, L.S., E-mail: lsk@phys.msu.ru

We consider quantum plasmas of electrons and motionless ions. We describe separate evolution of spin-up and spin-down electrons. We present corresponding set of quantum hydrodynamic equations. We assume that plasmas are placed in an uniform external magnetic field. We account different occupation of spin-up and spin-down quantum states in equilibrium degenerate plasmas. This effect is included via equations of state for pressure of each species of electrons. We study oblique propagation of longitudinal waves. We show that instead of two well-known waves (the Langmuir wave and the Trivelpiece–Gould wave), plasmas reveal four wave solutions. New solutions exist due to bothmore » the separate consideration of spin-up and spin-down electrons and different occupation of spin-up and spin-down quantum states in equilibrium state of degenerate plasmas.« less

Spin-orbital quantum liquid on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Corboz, Philippe

2013-03-01

The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

Coincident structural and magnetic order in BaFe 2 ( As 1 - x P x ) 2 revealed by high-resolution neutron diffraction

DOE PAGES

Allred, J. M.; Taddei, K. M.; Bugaris, D. E.; ...

2014-09-19

We present neutron dffraction analysis of BaFe 2(As 1-xP x) 2 over a wide temperature (10 to 300 K) and compositional (0.11 < x < 0.79) range, including the normal state, the magnetically ordered state, and the superconducting state. The paramagnetic to spin-density wave and orthorhombic to tetragonal transitions are first order and coincident within the sensitivity of our measurements (~ 0:5 K). Extrapolation of the orthorhombic order parameter down to zero suggests that structural quantum criticality cannot exist at compositions higher than x = 0.28, which is much lower than values determined using other methods, but in good agreementmore » with our observations of the actual phase stability range. Lastly, the onset of spin-density wave order shows a stronger structural anomaly than the charge-doped system in the form of an enhancement of the c/a ratio below the transition.« less

Spin Josephson effect in topological superconductor-ferromagnet junction

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

Ren, C. D.; Wang, J., E-mail: jwang@seu.edu.cn

2014-03-21

The composite topological superconductor (TS), made of one-dimensional spin-orbit coupled nanowire with proximity-induced s-wave superconductivity, is not a pure p-wave superconductor but still has a suppressed s-wave pairing. We propose to probe the spin texture of the p-wave pairing in this composite TS by examining possible spin supercurrents in an unbiased TS/ferromagnet junction. It is found that both the exchange-coupling induced and spin-flip reflection induced spin currents exist in the setup and survive even in the topological phase. We showed that besides the nontrivial p-wave pairing state accounting for Majorana Fermions, there shall be a trivial p-wave pairing state thatmore » contributes to spin supercurrent. The trivial p-wave pairing state is diagnosed from the mixing effect between the suppressed s-wave pairing and the topologically nontrivial p-wave pairing. The d vector of the TS is proved not to be rigorously perpendicular to the spin projection of p-wave pairings. Our findings are also confirmed by the Kitaev's p-wave model with a nonzero s-wave pairing.« less

Spin correlations in quantum wires

NASA Astrophysics Data System (ADS)

Sun, Chen; Pokrovsky, Valery L.

2015-04-01

We consider theoretically spin correlations in a one-dimensional quantum wire with Rashba-Dresselhaus spin-orbit interaction (RDI). The correlations of noninteracting electrons display electron spin resonance at a frequency proportional to the RDI coupling. Interacting electrons, upon varying the direction of the external magnetic field, transit from the state of Luttinger liquid (LL) to the spin-density wave (SDW) state. We show that the two-time total-spin correlations of these states are significantly different. In the LL, the projection of total spin to the direction of the RDI-induced field is conserved and the corresponding correlator is equal to zero. The correlators of two components perpendicular to the RDI field display a sharp electron-spin resonance driven by the RDI-induced intrinsic field. In contrast, in the SDW state, the longitudinal projection of spin dominates, whereas the transverse components are suppressed. This prediction indicates a simple way for an experimental diagnostic of the SDW in a quantum wire. We point out that the Luttinger model does not respect the spin conservation since it assumes the infinite Fermi sea. We propose a proper cutoff to correct this failure.

Detection of Short-Waved Spin Waves in Individual Microscopic Spin-Wave Waveguides Using the Inverse Spin Hall Effect.

PubMed

Brächer, T; Fabre, M; Meyer, T; Fischer, T; Auffret, S; Boulle, O; Ebels, U; Pirro, P; Gaudin, G

2017-12-13

The miniaturization of complementary metal-oxide-semiconductor (CMOS) devices becomes increasingly difficult due to fundamental limitations and the increase of leakage currents. Large research efforts are devoted to find alternative concepts that allow for a larger data-density and lower power consumption than conventional semiconductor approaches. Spin waves have been identified as a potential technology that can complement and outperform CMOS in complex logic applications, profiting from the fact that these waves enable wave computing on the nanoscale. The practical application of spin waves, however, requires the demonstration of scalable, CMOS compatible spin-wave detection schemes in material systems compatible with standard spintronics as well as semiconductor circuitry. Here, we report on the wave-vector independent detection of short-waved spin waves with wavelengths down to 150 nm by the inverse spin Hall effect in spin-wave waveguides made from ultrathin Ta/Co 8 Fe 72 B 20 /MgO. These findings open up the path for miniaturized scalable interconnects between spin waves and CMOS and the use of ultrathin films made from standard spintronic materials in magnonics.

Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems.

PubMed

Li, Zhendong; Chan, Garnet Kin-Lic

2017-06-13

We present a new wave function ansatz that combines the strengths of spin projection with the language of matrix product states (MPS) and matrix product operators (MPO) as used in the density matrix renormalization group (DMRG). Specifically, spin-projected matrix product states (SP-MPS) are constructed as [Formula: see text], where [Formula: see text] is the spin projector for total spin S and |Ψ MPS (N,M) ⟩ is an MPS wave function with a given particle number N and spin projection M. This new ansatz possesses several attractive features: (1) It provides a much simpler route to achieve spin adaptation (i.e., to create eigenfunctions of Ŝ 2 ) compared to explicitly incorporating the non-Abelian SU(2) symmetry into the MPS. In particular, since the underlying state |Ψ MPS (N,M) ⟩ in the SP-MPS uses only Abelian symmetries, one does not need the singlet embedding scheme for nonsinglet states, as normally employed in spin-adapted DMRG, to achieve a single consistent variationally optimized state. (2) Due to the use of |Ψ MPS (N,M) ⟩ as its underlying state, the SP-MPS can be closely connected to broken-symmetry mean-field states. This allows one to straightforwardly generate the large number of broken-symmetry guesses needed to explore complex electronic landscapes in magnetic systems. Further, this connection can be exploited in the future development of quantum embedding theories for open-shell systems. (3) The sum of MPOs representation for the Hamiltonian and spin projector [Formula: see text] naturally leads to an embarrassingly parallel algorithm for computing expectation values and optimizing SP-MPS. (4) Optimizing SP-MPS belongs to the variation-after-projection (VAP) class of spin-projected theories. Unlike usual spin-projected theories based on determinants, the SP-MPS ansatz can be made essentially exact simply by increasing the bond dimensions in |Ψ MPS (N,M) ⟩. Computing excited states is also simple by imposing orthogonality constraints, which are simple to implement with MPS. To illustrate the versatility of SP-MPS, we formulate algorithms for the optimization of ground and excited states, develop perturbation theory based on SP-MPS, and describe how to evaluate spin-independent and spin-dependent properties such as the reduced density matrices. We demonstrate the numerical performance of SP-MPS with applications to several models typical of strong correlation, including the Hubbard model, and [2Fe-2S] and [4Fe-4S] model complexes.

Switching dynamics of the spin density wave in superconducting CeCoIn 5

DOE PAGES

Kim, Duk Y.; Lin, Shi-Zeng; Bauer, Eric D.; ...

2017-06-21

The ordering wave vector Q of a spin density wave (SDW), stabilized within the superconducting state of CeCoIn 5 in a high magnetic field, has been shown to be hypersensitive to the direction of the field. Q can be switched from a nodal direction of the d-wave superconducting order parameter to a perpendicular node by rotating the in-plane magnetic field through the antinodal direction within a fraction of a degree. In this paper, we address the dynamics of the switching of Q. We use a free-energy functional based on the magnetization density, which describes the condensation of magnetic fluctuations ofmore » nodal quasiparticles, and show that the switching process includes closing of the SDW gap at one Q and then reopening the SDW gap at another Q perpendicular to the first one. The magnetic field couples to Q through the spin-orbit interaction. Our calculations show that the width of the hysteretic region of switching depends linearly on the deviation of magnetic field from the critical field associated with the SDW transition, consistent with our thermal conductivity measurements. Finally, the agreement between theory and experiment supports our scenario of the hypersensitivity of the Q phase on the direction of magnetic field, as well as the magnon condensation as the origin of the SDW phase in CeCoIn 5.« less

High-temperature charge density wave correlations in La1.875Ba0.125CuO4 without spin–charge locking

PubMed Central

Lorenzana, J.; Seibold, G.; Peng, Y. Y.; Amorese, A.; Yakhou-Harris, F.; Kummer, K.; Brookes, N. B.; Konik, R. M.; Thampy, V.; Gu, G. D.; Ghiringhelli, G.; Braicovich, L.

2017-01-01

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La1.875Ba0.125CuO4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. This indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates. PMID:29114049

Spin polarization of graphene and h -BN on Co(0001) and Ni(111) observed by spin-polarized surface positronium spectroscopy

NASA Astrophysics Data System (ADS)

Miyashita, A.; Maekawa, M.; Wada, K.; Kawasuso, A.; Watanabe, T.; Entani, S.; Sakai, S.

2018-05-01

In spin-polarized surface positronium annihilation measurements, the spin polarizations of graphene and h -BN on Co(0001) were higher than those on Ni(111), while no significant differences were seen between graphene and h -BN on the same metal. The obtained spin polarizations agreed with those expected from first-principles calculations considering the positron wave function and the electron density of states from the first surface layer to the vacuum region. The higher spin polarizations of graphene and h -BN on Co(0001) as compared to Ni(111) simply reflect the spin polarizations of these metals. The comparable spin polarizations of graphene and h -BN on the same metal are attributed to the creation of similar electronic states due to the strong influence of the metals: the Dirac cone of graphene and the band gap of h -BN disappear as a consequence of d -π hybridization.

Stripe Antiferromagnetic Spin Fluctuations in SrCo 2As 2

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

Jayasekara, Wageesha; Lee, Young-Jin; Pandey, Abhishek

Inelastic neutron scattering measurements of paramagnetic SrCo 2As 2 at T = 5 K reveal antiferromagnetic (AFM) spin fluctuations that are peaked at a wave vector of Q AFM = (1/2, 1/2, 1) and possess a large energy scale. These stripe spin fluctuations are similar to those found in AFe 2As 2 compounds, where spin-density wave AFM is driven by Fermi surface nesting between electron and hole pockets separated by Q AFM. SrCo 2As 2 has a more complex Fermi surface and band-structure calculations indicate a potential instability toward either a ferromagnetic or stripe AFM ground state. The results suggestmore » that stripe AFM magnetism is a general feature of both iron and cobalt-based arsenides and the search for spin fluctuation-induced unconventional superconductivity should be expanded to include cobalt-based compounds.« less

Alternative route to charge density wave formation in multiband systems

PubMed Central

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A.; Kemper, Alexander F.; Devereaux, Thomas P.; Chu, Jiun-Haw; Analytis, James G.; Fisher, Ian R.; Degiorgi, Leonardo

2013-01-01

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron–lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe3. Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron–phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors. PMID:23248317

Alternative route to charge density wave formation in multiband systems.

PubMed

Eiter, Hans-Martin; Lavagnini, Michela; Hackl, Rudi; Nowadnick, Elizabeth A; Kemper, Alexander F; Devereaux, Thomas P; Chu, Jiun-Haw; Analytis, James G; Fisher, Ian R; Degiorgi, Leonardo

2013-01-02

Charge and spin density waves, periodic modulations of the electron, and magnetization densities, respectively, are among the most abundant and nontrivial low-temperature ordered phases in condensed matter. The ordering direction is widely believed to result from the Fermi surface topology. However, several recent studies indicate that this common view needs to be supplemented. Here, we show how an enhanced electron-lattice interaction can contribute to or even determine the selection of the ordering vector in the model charge density wave system ErTe(3). Our joint experimental and theoretical study allows us to establish a relation between the selection rules of the electronic light scattering spectra and the enhanced electron-phonon coupling in the vicinity of band degeneracy points. This alternative proposal for charge density wave formation may be of general relevance for driving phase transitions into other broken-symmetry ground states, particularly in multiband systems, such as the iron-based superconductors.

Resonant tunneling of spin-wave packets via quantized states in potential wells.

PubMed

Hansen, Ulf-Hendrik; Gatzen, Marius; Demidov, Vladislav E; Demokritov, Sergej O

2007-09-21

We have studied the tunneling of spin-wave pulses through a system of two closely situated potential barriers. The barriers represent two areas of inhomogeneity of the static magnetic field, where the existence of spin waves is forbidden. We show that for certain values of the spin-wave frequency corresponding to the quantized spin-wave states existing in the well formed between the barriers, the tunneling has a resonant character. As a result, transmission of spin-wave packets through the double-barrier structure is much more efficient than the sequent tunneling through two single barriers.

Semiclassical dynamics of spin density waves

NASA Astrophysics Data System (ADS)

Chern, Gia-Wei; Barros, Kipton; Wang, Zhentao; Suwa, Hidemaro; Batista, Cristian D.

2018-01-01

We present a theoretical framework for equilibrium and nonequilibrium dynamical simulation of quantum states with spin-density-wave (SDW) order. Within a semiclassical adiabatic approximation that retains electron degrees of freedom, we demonstrate that the SDW order parameter obeys a generalized Landau-Lifshitz equation. With the aid of an enhanced kernel polynomial method, our linear-scaling quantum Landau-Lifshitz dynamics (QLLD) method enables dynamical SDW simulations with N ≃105 lattice sites. Our real-space formulation can be used to compute dynamical responses, such as the dynamical structure factor, of complex and even inhomogeneous SDW configurations at zero or finite temperatures. Applying the QLLD to study the relaxation of a noncoplanar topological SDW under the excitation of a short pulse, we further demonstrate the crucial role of spatial correlations and fluctuations in the SDW dynamics.

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Constantin, Lucian A; Sun, Jianwei; Csonka, Gábor I

2009-04-14

Some fundamental issues in ground-state density functional theory are discussed without equations: (1) The standard Hohenberg-Kohn and Kohn-Sham theorems were proven for a Hamiltonian that is not quite exact for real atoms, molecules, and solids. (2) The density functional for the exchange-correlation energy, which must be approximated, arises from the tendency of electrons to avoid one another as they move through the electron density. (3) In the absence of a magnetic field, either spin densities or total electron density can be used, although the former choice is better for approximations. (4) "Spin contamination" of the determinant of Kohn-Sham orbitals for an open-shell system is not wrong but right. (5) Only to the extent that symmetries of the interacting wave function are reflected in the spin densities should those symmetries be respected by the Kohn-Sham noninteracting or determinantal wave function. Functionals below the highest level of approximations should however sometimes break even those symmetries, for good physical reasons. (6) Simple and commonly used semilocal (lower-level) approximations for the exchange-correlation energy as a functional of the density can be accurate for closed systems near equilibrium and yet fail for open systems of fluctuating electron number. (7) The exact Kohn-Sham noninteracting state need not be a single determinant, but common approximations can fail when it is not. (8) Over an open system of fluctuating electron number, connected to another such system by stretched bonds, semilocal approximations make the exchange-correlation energy and hole-density sum rule too negative. (9) The gap in the exact Kohn-Sham band structure of a crystal underestimates the real fundamental gap but may approximate the first exciton energy in the large-gap limit. (10) Density functional theory is not really a mean-field theory, although it looks like one. The exact functional includes strong correlation, and semilocal approximations often overestimate the strength of static correlation through their semilocal exchange contributions. (11) Only under rare conditions can excited states arise directly from a ground-state theory.

Hedgehog spin-vortex crystal stabilized in a hole-doped iron-based superconductor

DOE PAGES

Meier, William R.; Ding, Qing-Ping; Kreyssig, Andreas; ...

2018-02-09

Magnetism is widely considered to be a key ingredient of unconventional superconductivity. In contrast to cuprate high-temperature superconductors, antiferromagnetism in most Fe-based superconductors (FeSCs) is characterized by a pair of magnetic propagation vectors, (π,0) and (0,π). Consequently, three different types of magnetic order are possible. Of these, only stripe-type spin-density wave (SSDW) and spin-charge-density wave (SCDW) orders have been observed. A realization of the proposed spin-vortex crystal (SVC) order is noticeably absent. We report a magnetic phase consistent with the hedgehog variation of SVC order in Ni-doped and Co-doped CaKFe 4As 4 based on thermodynamic, transport, structural and local magneticmore » probes combined with symmetry analysis. The exotic SVC phase is stabilized by the reduced symmetry of the CaKFe 4As 4 structure. Thus, our results suggest that the possible magnetic ground states in FeSCs have very similar energies, providing an enlarged configuration space for magnetic fluctuations to promote high-temperature superconductivity.« less

Hedgehog spin-vortex crystal stabilized in a hole-doped iron-based superconductor

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

Meier, William R.; Ding, Qing-Ping; Kreyssig, Andreas

Magnetism is widely considered to be a key ingredient of unconventional superconductivity. In contrast to cuprate high-temperature superconductors, antiferromagnetism in most Fe-based superconductors (FeSCs) is characterized by a pair of magnetic propagation vectors, (π,0) and (0,π). Consequently, three different types of magnetic order are possible. Of these, only stripe-type spin-density wave (SSDW) and spin-charge-density wave (SCDW) orders have been observed. A realization of the proposed spin-vortex crystal (SVC) order is noticeably absent. We report a magnetic phase consistent with the hedgehog variation of SVC order in Ni-doped and Co-doped CaKFe 4As 4 based on thermodynamic, transport, structural and local magneticmore » probes combined with symmetry analysis. The exotic SVC phase is stabilized by the reduced symmetry of the CaKFe 4As 4 structure. Thus, our results suggest that the possible magnetic ground states in FeSCs have very similar energies, providing an enlarged configuration space for magnetic fluctuations to promote high-temperature superconductivity.« less

Exact Lyapunov exponent of the harmonic magnon modes of one-dimensional Heisenberg-Mattis spin glasses

NASA Astrophysics Data System (ADS)

Sepehrinia, Reza; Niry, M. D.; Bozorg, B.; Tabar, M. Reza Rahimi; Sahimi, Muhammad

2008-03-01

A mapping is developed between the linearized equation of motion for the dynamics of the transverse modes at T=0 of the Heisenberg-Mattis model of one-dimensional (1D) spin glasses and the (discretized) random wave equation. The mapping is used to derive an exact expression for the Lyapunov exponent (LE) of the magnon modes of spin glasses and to show that it follows anomalous scaling at low magnon frequencies. In addition, through numerical simulations, the differences between the LE and the density of states of the wave equation in a discrete 1D model of randomly disordered media (those with a finite correlation length) and that of continuous media (with a zero correlation length) are demonstrated and emphasized.

Nuclear magnetic resonance in high magnetic field: Application to condensed matter physics

NASA Astrophysics Data System (ADS)

Berthier, Claude; Horvatić, Mladen; Julien, Marc-Henri; Mayaffre, Hadrien; Krämer, Steffen

2017-05-01

In this review, we describe the potentialities offered by the nuclear magnetic resonance (NMR) technique to explore at a microscopic level new quantum states of condensed matter induced by high magnetic fields. We focus on experiments realised in resistive (up to 34 T) or hybrid (up to 45 T) magnets, which open a large access to these quantum phase transitions. After an introduction on NMR observables, we consider several topics: quantum spin systems (spin-Peierls transition, spin ladders, spin nematic phases, magnetisation plateaus, and Bose-Einstein condensation of triplet excitations), the field-induced charge density wave (CDW) in high-Tc superconductors, and exotic superconductivity including the Fulde-Ferrel-Larkin-Ovchinnikov superconducting state and the field-induced superconductivity due to the Jaccarino-Peter mechanism.

Metastable Bound States of Two-Dimensional Magnetoexcitons in the Lowest Landau Levels Approximation

NASA Astrophysics Data System (ADS)

Moskalenko, S. A.; Khadzhi, P. I.; Podlesny, I. V.; Dumanov, E. V.; Liberman, M. A.; Zubac, I. A.

2017-12-01

The possible existence of the two-dimensional bimagnetoexcitons and metastable bound states formed by two magnetoexcitons with opposite in-plane wave vectors k and -k has been studied. Magnetoexcitons taking part in the formation of molecules look as two electric dipoles with the arms oriented in-plane perpendicular to the respective wave vectors and with the length of the arms d=k(l_0)^2, where l_0 is the magnetic length. Two antiparallel dipoles moving with equal, yet antiparallel, wave vectors have the possibility of moving with equal probability in any direction of the plane, which is determined by the trial wave function of relative motion φ_n(|k|), depending on modulus k. The magnetoexcitons are composed of electrons and holes situated on the lowest Landau levels with the cyclotron energies greater than the binding energy of the 2D Wannier-Mott exciton. The description has been made in Landau gauge. The spin states of two electrons have been chosen in the form of antisymmetric or symmetric combinations with parameter η=+/-1. The effective spins of two heavy holes have been combined in the same resultant spinor states as the spin of the electrons. Because the projections of the both spinor states with η=+/-1 are equal to zero, the influence of the Zeeman splitting effect vanishes. In the case of trial wave function, the maximal density of the magnetoexcitons in the momentum space is concentrated on the in-plane ring. In the approximation of the lowest Landau levels, when the influence of the excited Landau levels is neglected, stable bound states of bimagnetoexcitons do not exist for both spin orientations. Instead, in the case of α=0.5 and η=1, a deep metastable bound state with the activation barrier comparable with two magnetoexciton ionization potentials 2I_l has been revealed. In the case of η=-1 and α=3.4, only a shallow metastable bound state can appear.

Structural instability in polyacene: A projector quantum Monte Carlo study

NASA Astrophysics Data System (ADS)

Srinivasan, Bhargavi; Ramasesha, S.

1998-04-01

We have studied polyacene within the Hubbard model to explore the effect of electron correlations on the Peierls' instability in a system marginally away from one dimension. We employ the projector quantum Monte Carlo method to obtain ground-state estimates of the energy and various correlation functions. We find strong similarities between polyacene and polyacetylene which can be rationalized from the real-space valence-bond arguments of Mazumdar and Dixit. Electron correlations tend to enhance the Peierls' instability in polyacene. This enhancement appears to attain a maximum at U/t~3.0, and the maximum shifts to larger values when the alternation parameter is increased. The system shows no tendency to destroy the imposed bond-alternation pattern, as evidenced by the bond-bond correlations. The cis distortion is seen to be favored over the trans distortion. The spin-spin correlations show that undistorted polyacene is susceptible to a spin-density-wave distortion for large interaction strength. The charge-charge correlations indicate the absence of a charge-density-wave distortion for the parameters studied.

Fermion superfluid with hybridized s- and p-wave pairings

NASA Astrophysics Data System (ADS)

Zhou, LiHong; Yi, Wei; Cui, XiaoLing

2017-12-01

Ever since the pioneering work of Bardeen, Cooper and Schrieffer in the 1950s, exploring novel pairing mechanisms for fermion superfluids has become one of the central tasks in modern physics. Here, we investigate a new type of fermion superfluid with hybridized s- and p-wave pairings in an ultracold spin-1/2 Fermi gas. Its occurrence is facilitated by the co-existence of comparable s- and p-wave interactions, which is realizable in a two-component 40K Fermi gas with close-by s- and p-wave Feshbach resonances. The hybridized superfluid state is stable over a considerable parameter region on the phase diagram, and can lead to intriguing patterns of spin densities and pairing fields in momentum space. In particular, it can induce a phase-locked p-wave pairing in the fermion species that has no p-wave interactions. The hybridized nature of this novel superfluid can also be confirmed by measuring the s- and p-wave contacts, which can be extracted from the high-momentum tail of the momentum distribution of each spin component. These results enrich our knowledge of pairing superfluidity in Fermi systems, and open the avenue for achieving novel fermion superfluids with multiple partial-wave scatterings in cold atomic gases.

Theory of disordered Heisenberg ferromagnets

NASA Technical Reports Server (NTRS)

Stubbs, R. M.

1973-01-01

A Green's function technique is used to calculate the magnetic properties of Heisenberg ferromagnets in which the exchange interactions deviate randomly in strength from the mean interaction. Systems of sc, bcc, and fcc topologies and of general spin values are treated. Disorder produces marked effects in the density of spin wave states, in the form of enhancement of the low-energy density and extension of the energy band to higher values. The spontaneous magnetization and the Curie temperature decrease with increasing disorder. The effects of disorder are shown to be more pronounced in the ferromagnetic than in the paramagnetic phase.

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.

Spin waves in full-polarized state of Dzyaloshinskii-Moriya helimagnets: Small-angle neutron scattering study

NASA Astrophysics Data System (ADS)

Grigoriev, S. V.; Sukhanov, A. S.; Altynbaev, E. V.; Siegfried, S.-A.; Heinemann, A.; Kizhe, P.; Maleyev, S. V.

2015-12-01

We develop the technique to study the spin-wave dynamics of the full-polarized state of the Dzyaloshinskii-Moriya helimagnets by polarized small-angle neutron scattering. We have experimentally proven that the spin-waves dispersion in this state has the anisotropic form. We show that the neutron scattering image displays a circle with a certain radius which is centered at the momentum transfer corresponding to the helix wave vector in helimagnetic phase ks, which is oriented along the applied magnetic field H . The radius of this circle is directly related to the spin-wave stiffness of this system. This scattering depends on the neutron polarization showing the one-handed nature of the spin waves in Dzyaloshinskii-Moriya helimagnets in the full-polarized phase. We show that the spin-wave stiffness A for MnSi helimagnet decreased twice as the temperature increases from zero to the critical temperature Tc.

Topologically protected unidirectional edge spin waves

NASA Astrophysics Data System (ADS)

Wang, Xiang Rong; Wang, Xiansi; Su, Ying

Magnetic materials are highly correlated spin systems that do not respect the time-reversal symmetry. The low-energy excitations of magnetic materials are spin waves whose quanta are magnons. Like electronic materials that can be topologically nontrivial, a magnetic material can also be topologically nontrivial with topologically protected unidirectional edge states. These edge states should be superb channels of processing and manipulating spin waves because they are robust against perturbations and geometry changes, unlike the normal spin wave states that are very sensitive to the system changes and geometry. Therefore, the magnetic topological matter is of fundamental interest and technologically useful in magnonics. Here, we show that ferromagnetically interacting spins on a two-dimensional honeycomb lattice with nearest-neighbour interactions and governed by the Landau-Lifshitz-Gilbert equation, can be topologically nontrivial with gapped bulk spin waves and gapless edge spin waves. These edge spin waves are indeed very robust against defects under topological protection. Because of the unidirectional nature of these topologically protected edge spin waves, an interesting functional magnonic device called beam splitter can be made out of a domain wall in a strip. It is shown that an in-coming spin wave beam along one edge splits into two spin wave beams propagating along two opposite directions on the other edge after passing through a domain wall. This work was supported by Hong Kong GRF Grants (Nos. 163011151 and 16301816) and the Grant from NNSF of China (No. 11374249). X.S.W acknowledge support from UESTC.

Electronic and optical properties of Praseodymium trifluoride

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

Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in

2014-10-24

We report the role of f- states on electronic and optical properties of Praseodymium trifluoride (PrF{sub 3}) compound. Full potential linearized augmented plane wave (FPLAPW) method with the inclusion of spin orbit coupling has been used. We employed the local spin density approximation (LSDA) and Coulomb-corrected local spin density approximation (LSDA+U). LSDA+U is known for treating the highly correlated 4f electrons properly. Our theoretical investigation shows that LSDA+U approximation reproduce the correct insulating ground state of PrF{sub 3}. On the other hand there is no significant difference of reflectivity calculated by LSDA and LSDA+U. We find that the reflectivity formore » PrF{sub 3} compound stays low till around 7 eV which is consistent with their large energy gaps. Our calculated reflectivity compares well with the experimental data. The results are analyzed in the light of transitions involved.« less

Magnetic spiral induced by strong correlations in MnAu2

NASA Astrophysics Data System (ADS)

Glasbrenner, J. K.; Bussmann, K. M.; Mazin, I. I.

2014-10-01

The compound MnAu2 is one of the oldest known spin-spiral materials, yet the nature of the spiral state is still not clear. The spiral cannot be explained via relativistic effects due to the short pitch of the spiral and the weakness of the spin-orbit interaction in Mn, and another common mechanism, nesting, is ruled out as direct calculations show no features at the relevant wave vector. We propose that the spiral state is induced by a competition between the short-range antiferromagnetic exchange and a long-range interaction induced by the polarization of Au bands, similar to double exchange. We find that, contrary to earlier reports, the ground state in standard density functional theory is ferromagnetic, i.e., the latter interaction dominates. However, an accounting for Coulomb correlations via a Hubbard U suppresses the Schrieffer-Wolff-type s-d magnetic interaction between Mn and Au faster than the superexchange interaction, favoring a spin-spiral state. For realistic values of U, the resulting spiral wave vector is in close agreement with experiment.

Lattice dynamics and thermal transport in multiferroic CuCrO 2

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

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.

Inelastic neutron and x-ray scattering measurements of phonons and spin waves in CuCrO 2 were performed over a wide range of temperature, and complemented with first-principles simulations. The phonon dispersions and density of states are well reproduced by our density functional cal- culations, and reveal a strong anisotropy of Cu vibrations, with large amplitudes of low-frequency in-plane motions. In addition, we find that spin fluctuations persist above 300 K, far above the N eel temperature for long-range antiferromagnetic order, TN. Modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that themore » spin fluctuations above TN constitute a strong source of phonon scattering.« less

Lattice dynamics and thermal transport in multiferroic CuCrO 2

DOE PAGES

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.; ...

2017-02-09

Inelastic neutron and x-ray scattering measurements of phonons and spin waves in CuCrO 2 were performed over a wide range of temperature, and complemented with first-principles simulations. The phonon dispersions and density of states are well reproduced by our density functional cal- culations, and reveal a strong anisotropy of Cu vibrations, with large amplitudes of low-frequency in-plane motions. In addition, we find that spin fluctuations persist above 300 K, far above the N eel temperature for long-range antiferromagnetic order, TN. Modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that themore » spin fluctuations above TN constitute a strong source of phonon scattering.« less

High-temperature charge density wave correlations in La 1.875Ba 0.125CuO 4 without spin–charge locking

DOE PAGES

Miao, H.; Lorenzana, J.; Seibold, G.; ...

2017-11-07

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La 1.875Ba 0.125CuO 4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. Thismore » indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates.« less

High-temperature charge density wave correlations in La 1.875Ba 0.125CuO 4 without spin–charge locking

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

Miao, H.; Lorenzana, J.; Seibold, G.

Although all superconducting cuprates display charge-ordering tendencies, their low-temperature properties are distinct, impeding efforts to understand the phenomena within a single conceptual framework. While some systems exhibit stripes of charge and spin, with a locked periodicity, others host charge density waves (CDWs) without any obviously related spin order. Here we use resonant inelastic X-ray scattering to follow the evolution of charge correlations in the canonical stripe-ordered cuprate La 1.875Ba 0.125CuO 4 across its ordering transition. We find that high-temperature charge correlations are unlocked from the wavevector of the spin correlations, signaling analogies to CDW phases in various other cuprates. Thismore » indicates that stripe order at low temperatures is stabilized by the coupling of otherwise independent charge and spin density waves, with important implications for the relation between charge and spin correlations in the cuprates.« less

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

NASA Astrophysics Data System (ADS)

Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

2018-01-01

The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

Spin Bose-metal phase in a spin- (1)/(2) model with ring exchange on a two-leg triangular strip

NASA Astrophysics Data System (ADS)

Sheng, D. N.; Motrunich, Olexei I.; Fisher, Matthew P. A.

2009-05-01

Recent experiments on triangular lattice organic Mott insulators have found evidence for a two-dimensional (2D) spin liquid in close proximity to the metal-insulator transition. A Gutzwiller wave function study of the triangular lattice Heisenberg model with a four-spin ring exchange term appropriate in this regime has found that the projected spinon Fermi sea state has a low variational energy. This wave function, together with a slave particle-gauge theory analysis, suggests that this putative spin liquid possesses spin correlations that are singular along surfaces in momentum space, i.e., “Bose surfaces.” Signatures of this state, which we will refer to as a “spin Bose metal” (SBM), are expected to manifest in quasi-one-dimensional (quasi-1D) ladder systems: the discrete transverse momenta cut through the 2D Bose surface leading to a distinct pattern of 1D gapless modes. Here, we search for a quasi-1D descendant of the triangular lattice SBM state by exploring the Heisenberg plus ring model on a two-leg triangular strip (zigzag chain). Using density matrix renormalization group (DMRG) supplemented by variational wave functions and a bosonization analysis, we map out the full phase diagram. In the absence of ring exchange the model is equivalent to the J1-J2 Heisenberg chain, and we find the expected Bethe-chain and dimerized phases. Remarkably, moderate ring exchange reveals a new gapless phase over a large swath of the phase diagram. Spin and dimer correlations possess singular wave vectors at particular “Bose points” (remnants of the 2D Bose surface) and allow us to identify this phase as the hoped for quasi-1D descendant of the triangular lattice SBM state. We use bosonization to derive a low-energy effective theory for the zigzag spin Bose metal and find three gapless modes and one Luttinger parameter controlling all power law correlations. Potential instabilities out of the zigzag SBM give rise to other interesting phases such as a period-3 valence bond solid or a period-4 chirality order, which we discover in the DMRG. Another interesting instability is into a spin Bose-metal phase with partial ferromagnetism (spin polarization of one spinon band), which we also find numerically using the DMRG.

Structural, electronic and magnetic properties of metal thiophosphate InPS4

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Nayak, Vikas; Kumari, Meena; Yadav, Priya; Nautiyal, Shashank; Verma, U. P.

2017-05-01

The non-centrosymmetric crystal, InPS4, has been investigated by means of density functional theory (DFT). In this paper we have calculated the structural parameters, electronic band structures, density of states plot and magnetic properties using full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation has been solved employing the generalised gradient approximation due to Perdew-Burke-Ernzerhof. The calculations are performed both without spin as well as spin polarized. The results show that InPS4 is an indirect band gap semiconductor with (N-Г) energy gap of 2.32eV (without spin) and 1.86eV in spin up and down channels.The obtained lattice parameters and energy gap agree well with the experimental results. Our reported magnetic moment results show that the property of InPS4is nonmagnetic.

Stable spin domains in a nondegenerate ultracold gas

NASA Astrophysics Data System (ADS)

Graham, S. D.; Niroomand, D.; Ragan, R. J.; McGuirk, J. M.

2018-05-01

We study the stability of two-domain spin structures in an ultracold gas of magnetically trapped 87Rb atoms above quantum degeneracy. Adding a small effective magnetic field gradient stabilizes the domains via coherent collective spin rotation effects, despite negligibly perturbing the potential energy relative to the thermal energy. We demonstrate that domain stabilization is accomplished through decoupling the dynamics of longitudinal magnetization, which remains in time-independent domains, from transverse magnetization, which undergoes a purely transverse spin wave trapped within the domain wall. We explore the effect of temperature and density on the steady-state domains, and compare our results to a hydrodynamic solution to a quantum Boltzmann equation.

Spontaneous symmetry breaking and electronic and dielectric properties in commensurate La7 /4Sr1 /4CuO4 and La5 /3Sr1 /3NiO4

NASA Astrophysics Data System (ADS)

Petersen, J.; Bechstedt, F.; Furthmüller, J.; Scolfaro, L. M.

2018-05-01

Complex ordered phases involving spin and charge degrees of freedom in condensed matter, such as layered cuprates and nickelates, are exciting but not well understood solid-state phenomena. The rich underlying physics of the overdoped high-temperature superconductor L a7 /4S r1 /4Cu O4 and colossal dielectric constant insulator L a5 /3S r1 /3Ni O4 is studied from first principles within density functional (perturbation) theory, including an effective Hubbard potential U for the exchange and correlation of d orbitals. Charge density wave (CDW) and spin density wave (SDW) orders are found in both materials, where the stripes are commensurate with the lattice. The SDWs are accompanied by complex antiferromagnetic spin arrangements along the stripes. The first series of conduction bands related to the pseudogap observed in the cuprate are found to be directly related to CDW order, while the colossal dielectric constant in the nickelate is demonstrated to be a result of vibronic coupling with CDW order. Differences between the two oxides are related to how the stripes fill with carriers.

Quantum Multicriticality near the Dirac-Semimetal to Band-Insulator Critical Point in Two Dimensions: A Controlled Ascent from One Dimension

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew S.

2018-01-01

We compute the effects of generic short-range interactions on gapless electrons residing at the quantum critical point separating a two-dimensional Dirac semimetal and a symmetry-preserving band insulator. The electronic dispersion at this critical point is anisotropic (Ek=±√{v2kx2+b2ky2 n } with n =2 ), which results in unconventional scaling of thermodynamic and transport quantities. Because of the vanishing density of states [ϱ (E )˜|E |1 /n ], this anisotropic semimetal (ASM) is stable against weak short-range interactions. However, for stronger interactions, the direct Dirac-semimetal to band-insulator transition can either (i) become a fluctuation-driven first-order transition (although unlikely in a particular microscopic model considered here, the anisotropic honeycomb lattice extended Hubbard model) or (ii) get avoided by an intervening broken-symmetry phase. We perform a controlled renormalization group analysis with the small parameter ɛ =1 /n , augmented with a 1 /n expansion (parametrically suppressing quantum fluctuations in the higher dimension) by perturbing away from the one-dimensional limit, realized by setting ɛ =0 and n →∞ . We identify charge density wave (CDW), antiferromagnet (AFM), and singlet s -wave superconductivity as the three dominant candidates for broken symmetry. The onset of any such order at strong coupling (˜ɛ ) takes place through a continuous quantum phase transition across an interacting multicritical point, where the ordered phase, band insulator, Dirac, and anisotropic semimetals meet. We also present the phase diagram of an extended Hubbard model for the ASM, obtained via the controlled deformation of its counterpart in one dimension. The latter displays spin-charge separation and instabilities to CDW, spin density wave, and Luther-Emery liquid phases at arbitrarily weak coupling. The spin density wave and Luther-Emery liquid phases deform into pseudospin SU(2)-symmetric quantum critical points separating the ASM from the AFM and superconducting orders, respectively. Our phase diagram shows an intriguing interplay among CDW, AFM, and s -wave paired states that can be germane for a uniaxially strained optical honeycomb lattice for ultracold fermion atoms, or the organic compound α -(BEDT -TTF )2I3 .

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

PubMed

Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole

2018-03-21

We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

Ab initio study on rare-earth iron-pnictides RFeAsO (R = Pr, Nd, Sm, Gd) in low-temperature Cmma phase

NASA Astrophysics Data System (ADS)

Eryigit, Resul; Gurel, Tanju; Erturk, Esra; Lukoyanov, A. V.; Akcay, Guven; Anisimov, V. I.

2014-03-01

We present density functional theory calculations on iron-based pnictides RFeAsO (R = Pr, Nd, Sm, Gd). The calculations have been carried out using plane-waves and projector augmented wave (PAW) pseudopotential approach. Structural, magnetic and electronic properties are studied within generalized gradient approximation (GGA) and also within GGA+U in order to investigate the influence of electron correlation effects. Low-temperature Cmma structure is fully optimized by GGA considering both non-magnetic and magnetic cells. We have found that spin-polarized structure improves the agreement with experiments on equilibrium lattice parameters, particularly c lattice parameter and Fe-As bond-lengths. Electronic band structure, total density of states, and spin-dependent orbital-resolved density of states are also analyzed in the frameworks of GGA and GGA+U and discussed. For all materials, by including on-site Coulomb correction, rare earth 4f states move away from the Fermi level and the Fermi level features of the systems are found to be mostly defined by the 3d electron-electron correlations in Fe. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK Project No. TBAG-111T796) and the Russian Foundation for Basic Research (Project No. 12-02-91371-CT_a).

Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

PubMed

García de la Vega, J M; Omar, S; San Fabián, J

2017-04-01

Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

Nonlinear propagation of light in Dirac matter.

PubMed

Eliasson, Bengt; Shukla, P K

2011-09-01

The nonlinear interaction between intense laser light and a quantum plasma is modeled by a collective Dirac equation coupled with the Maxwell equations. The model is used to study the nonlinear propagation of relativistically intense laser light in a quantum plasma including the electron spin-1/2 effect. The relativistic effects due to the high-intensity laser light lead, in general, to a downshift of the laser frequency, similar to a classical plasma where the relativistic mass increase leads to self-induced transparency of laser light and other associated effects. The electron spin-1/2 effects lead to a frequency upshift or downshift of the electromagnetic (EM) wave, depending on the spin state of the plasma and the polarization of the EM wave. For laboratory solid density plasmas, the spin-1/2 effects on the propagation of light are small, but they may be significant in superdense plasma in the core of white dwarf stars. We also discuss extensions of the model to include kinetic effects of a distribution of the electrons on the nonlinear propagation of EM waves in a quantum plasma.

Rhenium-phthalocyanine molecular nanojunction with high magnetic anisotropy and high spin filtering efficiency

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

Li, J.; Institute of Nanomaterial and Nanostructure, Changsha University of Science and Technology, Changsha 410114; Hu, J.

2015-07-20

Using the density functional and non-equilibrium Green's function approaches, we studied the magnetic anisotropy and spin-filtering properties of various transition metal-Phthalocyanine molecular junctions across two Au electrodes. Our important finding is that the Au-RePc-Au junction has both large spin filtering efficiency (>80%) and large magnetic anisotropy energy, which makes it suitable for device applications. To provide insights for the further experimental work, we discussed the correlation between the transport property, magnetic anisotropy, and wave function features of the RePc molecule, and we also illustrated the possibility of controlling its magnetic state.

Mott Transition in GdMnO3: an Ab Initio Study

NASA Astrophysics Data System (ADS)

Ferreira, W. S.; Moreira, E.; Frazão, N. F.

2018-04-01

Orthorhombic GdMnO3 is studied using density functional theory considering the pseudo-potential plane-wave method within local-spin-density approximation, LSDA. The electronic band structure and density of states, for several hydrostatic pressures, are studied. The Mott transition was observed at 60 GPa. Calculated lattice parameters are close to the experimental measurements, and some indirect band gaps (S→Γ) were obtained within the LSDA level of calculation, between the occupied O-2 p and unoccupied Gd-4 f states. The variation of the gap reduces with increasing pressure, being well fitted to a quadratic function.

Neutron scattering studies of the ferroelectric distortion and spin dynamics in the type-1 multiferroic perovskite Sr 0.56 Ba 0.44 MnO 3

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

Pratt, Daniel K.; Lynn, Jeffrey W.; Mais, James

2014-10-01

The magnetic order, spin dynamics, and crystal structure of the multiferroic Sr0.56Ba0.44MnO3 have been investigated using neutron and x-ray scattering. Ferroelectricity develops at T-C = 305 K with a polarization of 4.2 mu C/cm(2) associated with the displacements of the Mn ions, while the Mn4+ spins order below T-N approximate to 200 K into a simple G-type commensurate magnetic structure. Below TN the ferroelectric order decreases dramatically, demonstrating that the two order parameters are strongly coupled. The ground state spin dynamics is characterized by a spin gap of 4.6(5) meV and the magnon density of states peaking at 43 meV.more » Detailed spin wave simulations with a gap and isotropic exchange of J = 4.8(2) meV describe the excitation spectrum well. Above TN strong spin correlations coexist with robust ferroelectric order.« less

Spin-valley locking in the normal state of a transition-metal dichalcogenide superconductor.

PubMed

Bawden, L; Cooil, S P; Mazzola, F; Riley, J M; Collins-McIntyre, L J; Sunko, V; Hunvik, K W B; Leandersson, M; Polley, C M; Balasubramanian, T; Kim, T K; Hoesch, M; Wells, J W; Balakrishnan, G; Bahramy, M S; King, P D C

2016-05-23

Metallic transition-metal dichalcogenides (TMDCs) are benchmark systems for studying and controlling intertwined electronic orders in solids, with superconductivity developing from a charge-density wave state. The interplay between such phases is thought to play a critical role in the unconventional superconductivity of cuprates, Fe-based and heavy-fermion systems, yet even for the more moderately-correlated TMDCs, their nature and origins have proved controversial. Here, we study a prototypical example, 2H-NbSe2, by spin- and angle-resolved photoemission and first-principles theory. We find that the normal state, from which its hallmark collective phases emerge, is characterized by quasiparticles whose spin is locked to their valley pseudospin. This results from a combination of strong spin-orbit interactions and local inversion symmetry breaking, while interlayer coupling further drives a rich three-dimensional momentum dependence of the underlying Fermi-surface spin texture. These findings necessitate a re-investigation of the nature of charge order and superconducting pairing in NbSe2 and related TMDCs.

Wigner molecules: the strong-correlation limit of the three-electron harmonium.

PubMed

Cioslowski, Jerzy; Pernal, Katarzyna

2006-08-14

At the strong-correlation limit, electronic states of the three-electron harmonium atom are described by asymptotically exact wave functions given by products of distinct Slater determinants and a common Gaussian factor that involves interelectron distances and the center-of-mass position. The Slater determinants specify the angular dependence and the permutational symmetry of the wave functions. As the confinement strength becomes infinitesimally small, the states of different spin multiplicities become degenerate, their limiting energy reflecting harmonic vibrations of the electrons about their equilibrium positions. The corresponding electron densities are given by products of angular factors and a Gaussian function centered at the radius proportional to the interelectron distance at equilibrium. Thanks to the availability of both the energy and the electron density, the strong-correlation limit of the three-electron harmonium is well suited for testing of density functionals.

NMR studies of spin excitations in superconducting Bi2Sr2CaCu2O8+δ single crystals

NASA Astrophysics Data System (ADS)

Takigawa, M.; Mitzi, D. B.

1994-08-01

The oxygen NMR shift and the Cu nuclear spin-lattice relaxation rate (1/T1) were measured in Bi2.1Sr1.9Ca0.9Cu2.1O8+δ single crystals. While both the shift and 1/(T1T) decrease sharply near Tc, 1/(T1T) becomes nearly constant at low temperatures, indicating a gapless superconducting state with finite density of states at the Fermi level. From the oxygen shift data, the residual spin susceptibility at T=0 is estimated to be 10% of the value at room temperature. Our results are most consistent with a d-wave pairing model with strong (resonant) impurity scattering.

Bose-Einstein condensation of spin wave quanta at room temperature.

PubMed

Dzyapko, O; Demidov, V E; Melkov, G A; Demokritov, S O

2011-09-28

Spin waves are delocalized excitations of magnetic media that mainly determine their magnetic dynamics and thermodynamics at temperatures far below the critical one. The quantum-mechanical counterparts of spin waves are magnons, which can be considered as a gas of weakly interacting bosonic quasi-particles. Here, we discuss the room-temperature kinetics and thermodynamics of the magnon gas in yttrium iron garnet films driven by parametric microwave pumping. We show that for high enough pumping powers, the thermalization of the driven gas results in a quasi-equilibrium state described by Bose-Einstein statistics with a non-zero chemical potential. Further increases of the pumping power cause a Bose-Einstein condensation documented by an observation of the magnon accumulation at the lowest energy level. Using the sensitivity of the Brillouin light scattering spectroscopy to the degree of coherence of the scattering magnons, we confirm the spontaneous emergence of coherence of the magnons accumulated at the bottom of the spectrum, occurring if their density exceeds a critical value.

Superconductivity from fractionalized excitations in URu2Si2

NASA Astrophysics Data System (ADS)

Hsu, Chen-Hsuan; Chakravarty, Sudip

2014-10-01

An unconventional pairing mechanism in the heavy-fermion material URu2Si2 is studied. We propose a mixed singlet-triplet d-density wave to be the hidden-order state in URu2Si2. The exotic order is topologically nontrivial and supports a charge 2e skyrmionic spin texture, which is assumed to fractionalize into merons and antimerons at the deconfined quantum critical point. The interaction between these fractional particles results in a (pseudo)spin-singlet chiral d-wave superconducting state, which breaks time-reversal symmetry. Therefore, it is highly likely to produce a nonzero signal of the polar Kerr effect at the onset of the superconductivity, consistent with recent experiments. In addition, the nodal structures of the possible pairing functions in our model are consistent with the thermodynamic experiments in URu2Si2.

Spin-resolved band structure of a densely packed Pb monolayer on Si(111)

NASA Astrophysics Data System (ADS)

Brand, C.; Muff, S.; Fanciulli, M.; Pfnür, H.; Tringides, M. C.; Dil, J. H.; Tegenkamp, C.

2017-07-01

Monolayer structures of Pb on Si(111) attracted recently considerable interest as superconductivity was found in these truly two-dimensional (2D) structures. In this study, we analyzed the electronic surface band structure of the so-called striped incommensurate Pb phase with 4/3 ML coverage by means of spin-resolved photoemission spectroscopy. Our results fully agree with density functional theory calculations done by Ren et al. [Phys. Rev. B 94, 075436 (2016), 10.1103/PhysRevB.94.075436]. We observe a local Zeeman-type splitting of a fully occupied and spin-polarized surface band at the K¯√{3} points. The growth of this densely packed Pb structure results in the formation of imbalanced rotational domains, which triggered the detection of C3 v symmetry forbidden spin components for surface states around the Fermi energy. Moreover, the Fermi surface of the metallic surface state of this phase is Rashba spin split and revealed a pronounced warping. However, the 2D nesting vectors are incommensurate with the atomic structure, thus keeping this system rather immune against charge density wave formation and possibly enabling a superconducting behavior.

Two-leg ladder systems with dipole–dipole Fermion interactions

NASA Astrophysics Data System (ADS)

Mosadeq, Hamid; Asgari, Reza

2018-05-01

The ground-state phase diagram of a two-leg fermionic dipolar ladder with inter-site interactions is studied using density matrix renormalization group (DMRG) techniques. We use a state-of-the-art implementation of the DMRG algorithm and finite size scaling to simulate large system sizes with high accuracy. We also consider two different model systems and explore stable phases in half and quarter filling factors. We find that in the half filling, the charge and spin gaps emerge in a finite value of the dipole–dipole and on-site interactions. In the quarter filling case, s-wave superconducting state, charge density wave, homogenous insulating and phase separation phases occur depend on the interaction values. Moreover, in the dipole–dipole interaction, the D-Mott phase emerges when the hopping terms along the chain and rung are the same, whereas, this phase has been only proposed for the anisotropic Hubbard model. In the half filling case, on the other hand, there is either charge-density wave or charged Mott order phase depends on the orientation of the dipole moments of the particles with respect to the ladder geometry.

Spontaneous symmetry breaking in quasi one dimension

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

Satpathi, Urbashi, E-mail: urbashi@bose.res.in; Deo, P. Singha

2015-06-24

Electronic charge and spin separation leading to charge density wave and spin density wave is well established in one dimension in the presence and absence of Coulomb interaction. We start from quasi one dimension and show the possibility of such a transition in quasi one dimension as well as in two dimensions by going to a regime where it can be shown for electrons that just interact via Fermi statistics. Such density waves arise due to internal symmetry breaking in a many fermion quantum system. We can extend this result to very wide rings with infinitely many electrons including Coulombmore » interaction.« less

Electronic band structure of LaCoO3/Y/Mn compounds

NASA Astrophysics Data System (ADS)

Rahnamaye Aliabad, H. A.; Hesam, V.; Ahmad, Iftikhar; Khan, Imad

2013-02-01

Spin polarization effects on electronic properties of pure LaCoO3 and doped compounds (La0.5Y0.5CoO3, LaCo0.5Mn0.5O3) in the rhombohedral phase have been studied. We have employed the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA+U) under density functional theory (DFT). The calculated band structures along with total as well as partial densities of states reveal that Y and Mn impurities have a significant effect on the structural and electronic properties of LaCoO3. It is found that Mn alters insulating behavior of this compound to the half metallic for spin up state. Obtained results show that the magnetic moment for the Co-3d state is near 3.12μB in LaCoO3 compound which increases and decreases with addition of Y and Mn dopants respectively.

Broken Time-Reversal Symmetry in Strongly Correlated Ladder Structures

NASA Astrophysics Data System (ADS)

Troyer, Matthias

2004-03-01

A decade after the first detailed numerical investigations of strongly correlated ladder models, exotic and interesting phases are still being discovered. Besides charge and spin density wave states with broken translational symmetry, and resonating valence bond (RVB) type superconductivity, a time reversal symmetry borken phase was recently found at half filling [J.B. Marston et al., Phys. Rev. Lett 89, 056404 (2002)]. In this talk I will present our recent results of density matrix renormalization group (DMRG) calculations [Phys. Rev. Lett. 90, 186401 (2003)], where we provide, for the first time, in a doped strongly correlated system (two-leg ladder), a controlled theoretical demonstration of the existence of this state in which long-range ordered orbital currents are arranged in a staggered pattern. This phase, which we found to coexist with a charge density wave, is known in the literature under the names ``staggered flux phase'', ``orbital antiferromagnetism'' or ``d-density wave (DDW)''. This brings us closer to recent proposals that this order might be realized in the enigmatic pseudogap phase of the cuprate high temperature superconductors.

Inelastic Neutron Scattering Studies of the Spin and Lattice Dynamics inIron Arsenide Compounds

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

Christianson, Andrew D; Osborn, R.; Rosenkranz, Stephen

2009-01-01

Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initiomore » calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely to be extended-s{sub {+-}} wave in character.« less

Inelastic neutron scattering studies of the spin and lattice dynamics in iron arsenide compounds.

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

Osborn, R.; Rosenkranz, S.; Goremychkin, E. A.

2009-03-20

Although neutrons do not couple directly to the superconducting order parameter, they have nevertheless played an important role in advancing our understanding of the pairing mechanism and the symmetry of the superconducting energy gap in the iron arsenide compounds. Measurements of the spin and lattice dynamics have been performed on non-superconducting 'parent' compounds based on the LaFeAsO ('1111') and BaFe{sub 2}As{sub 2} ('122') crystal structures, and on electron and hole-doped superconducting compounds, using both polycrystalline and single crystal samples. Neutron measurements of the phonon density-of-state, subsequently supported by single crystal inelastic X-ray scattering, are in good agreement with ab initiomore » calculations, provided the magnetism of the iron atoms is taken into account. However, when combined with estimates of the electron-phonon coupling, the predicted superconducting transition temperatures are less than 1 K, making a conventional phononic mechanism for superconductivity highly unlikely. Measurements of the spin dynamics within the spin density wave phase of the parent compounds show evidence of strongly dispersive spin waves with exchange interactions consistent with the observed magnetic order and a large anisotropy gap. Antiferromagnetic fluctuations persist in the normal phase of the superconducting compounds, but they are more diffuse. Below T{sub c}, there is evidence in three '122' compounds that these fluctuations condense into a resonant spin excitation at the antiferromagnetic wavevector with an energy that scales with T{sub c}. Such resonances have been observed in the high-T{sub c} copper oxides and a number of heavy fermion superconductors, where they are considered to be evidence of d-wave symmetry. In the iron arsenides, they also provide evidence of unconventional superconductivity, but a comparison with ARPES and other measurements, which indicate that the gaps are isotropic, suggests that the symmetry is more likely to be extended-s{sub {+-}} wave in character.« less

Realization of spin wave switch for data processing

NASA Astrophysics Data System (ADS)

Balinskiy, M.; Chiang, H.; Khitun, A.

2018-05-01

In this work, experimental data on a spin wave switch based on spin wave interference is reported. The switch is a three terminal device where spin wave propagation between the source and the drain is modulated by the control spin wave signal. The prototype is a micrometer scale device based on Y3Fe2(FeO4)3 film. The output characteristics show the oscillation of the output spin wave signal as a function of the phase difference between the source and the drain spin wave signals. The On/Off ratio of the prototype exceeds 20 dB at room temperature. The utilization of phase in addition to amplitude for information encoding offers an innovative route towards multi-state logic circuits. The advantages and shortcomings of spin wave switches are also discussed.

Very narrow excited Ωc baryons

NASA Astrophysics Data System (ADS)

Karliner, Marek; Rosner, Jonathan L.

2017-06-01

Recently, LHCb reported the discovery of five extremely narrow excited Ωc baryons decaying into Ξc+K-. We interpret these baryons as bound states of a c quark and a P -wave s s diquark. For such a system, there are exactly five possible combinations of spin and orbital angular momentum. The narrowness of the states could be a signal that it is hard to pull apart the two s quarks in a diquark. We predict two of spin 1 /2 , two of spin 3 /2 , and one of spin 5 /2 , all with negative parity. Of the five states, two can decay in S -wave, and three can decay in D -wave. Some of the D -wave states might be narrower than the S -wave states. We discuss the relations among the five masses expected in the quark model and the likely spin assignments, and we compare them with the data. A similar pattern is expected for negative-parity excited Ωb states. An alternative interpretation is noted in which the heaviest two states are 2 S excitations with JP=1 /2+ and 3 /2+, while the lightest three are those with JP=3 /2- , 3 /2- , 5 /2- , expected to decay via D -waves. In this case, we expect JP=1 /2- Ωc states around 2904 and 2978 MeV.

Excitations in a spin-polarized two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kreil, Dominik; Hobbiger, Raphael; Drachta, Jürgen T.; Böhm, Helga M.

2015-11-01

A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin-up and spin-down population. The predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014), 10.1103/PhysRevB.90.155409] are based on the random phase approximation. Here, we show how to account for spin-dependent correlations from known ground-state pair correlation functions and study the consequences on the various spin-dependent longitudinal response functions. The spin-plasmon dispersion relation and its critical wave vector for Landau damping by minority spins turn out to be significantly lower. We further demonstrate that spin-dependent effective interactions imply a rich structure in the excitation spectrum of the partially spin-polarized system. Most notably, we find a "magnetic antiresonance," where the imaginary part of both, the spin-spin as well as the density-spin response function vanish. The resulting minimum in the double-differential cross section is awaiting experimental confirmation.

Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods

NASA Astrophysics Data System (ADS)

Michalak, Ł.; Canali, C. M.; Pederson, M. R.; Paulsson, M.; Benza, V. G.

2010-01-01

We consider tunneling transport through a Mn12 molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wave functions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

Theory of tunneling spectroscopy in a Mn12 single-electron transistor by density-functional theory methods.

PubMed

Michalak, Ł; Canali, C M; Pederson, M R; Paulsson, M; Benza, V G

2010-01-08

We consider tunneling transport through a Mn12 molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wave functions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

Differential cross sections and polarization observables from CLAS K* photoproduction and the search for new N* states

NASA Astrophysics Data System (ADS)

Anisovich, A. V.; Hicks, K.; Klempt, E.; Nikonov, V. A.; Sarantsev, A.; Tang, W.; Adikaram, D.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Badui, R. A.; Ball, J.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Chetry, T.; Ciullo, G.; Clark, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dugger, M.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Filippi, A.; Fleming, J. A.; Gevorgyan, N.; Ghandilyan, Y.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Gothe, R. W.; Griffioen, K. A.; Guo, L.; Hanretty, C.; Harrison, N.; Hattawy, M.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, W.; Klein, F. J.; Kubarovsky, V.; Lanza, L.; Lenisa, P.; Livingston, K.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Meyer, C. A.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Net, L. A.; Ni, A.; Niccolai, S.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Puckett, A. J. R.; Raue, B. A.; Ripani, M.; Ritchie, B. G.; Rosner, G.; Roy, P.; Sabatié, F.; Schumacher, R. A.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Stepanyan, S.; Strauch, S.; Sytnik, V.; Tian, Ye.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zonta, I.; CLAS Collaboration

2017-08-01

The reaction γp →K*+ Λ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the Λ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from N (1895) 1 /2- and N (2100) 1 /2+ to the reaction. Branching ratios for decays into K* Λ for these resonances and further resonances are reported.

Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study

NASA Astrophysics Data System (ADS)

Li, N.; Yao, K. L.; Zhong, G. H.; Ching, W. Y.

2013-03-01

The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method is applied to study the two-dimensional achiral soft ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O. The phase stability, electronic structure, magnetic and conducting properties are investigated. Our results reveal that the compound has a stable ferrimagnetic ground state in good agreement with the experiment. From the spin density distribution, the spin magnetic moment of the compound is mainly from Cr3+ and Mn2+ ions with small contributions from the oxygen, nitrogen and carbon ions. The calculated electronic band structure predicts the compound to be a half-metal with the spin magnetic moment of 1.000 μB per molecule.

Chirality and orbital order in charge density waves

NASA Astrophysics Data System (ADS)

van Wezel, Jasper

2011-12-01

Helical arrangements of spins are common among magnetic materials. The first material to harbor a corkscrew pattern of charge density, on the other hand, was discovered only very recently. The nature of the order parameter is of key relevance, since rotating a magnetic vector around any propagation vector trivially yields a helical pattern. In contrast, the purely scalar charge density cannot straightforwardly support a chiral state. Here we use a Landau order parameter analysis to resolve this paradox, and show that the chiral charge order may be understood as a form of orbital ordering. We discuss the microscopic mechanism driving the transition and show it to be of a general form, thus allowing for a broad class of materials to display this novel type of orbital-ordered chiral charge density wave.

Dynamics of interacting fermions under spin-orbit coupling in an optical lattice clock

NASA Astrophysics Data System (ADS)

Bromley, S. L.; Kolkowitz, S.; Bothwell, T.; Kedar, D.; Safavi-Naini, A.; Wall, M. L.; Salomon, C.; Rey, A. M.; Ye, J.

2018-04-01

Quantum statistics and symmetrization dictate that identical fermions do not interact via s-wave collisions. However, in the presence of spin-orbit coupling (SOC), fermions prepared in identical internal states with distinct momenta become distinguishable. The resulting strongly interacting system can exhibit exotic topological and pairing behaviours, many of which are yet to be observed in condensed matter systems. Ultracold atomic gases offer a promising pathway for simulating these rich phenomena, but until recently have been hindered by heating and losses. Here we enter a new regime of many-body interacting SOC in a fermionic optical lattice clock (OLC), where the long-lived electronic clock states mitigate unwanted dissipation. Using clock spectroscopy, we observe the precession of the collective magnetization and the emergence of spin-locking effects arising from an interplay between p-wave and SOC-induced exchange interactions. The many-body dynamics are well captured by a collective XXZ spin model, which describes a broad class of condensed matter systems ranging from superconductors to quantum magnets. Furthermore, our work will aid in the design of next-generation OLCs by offering a route for avoiding the observed large density shifts caused by SOC-induced exchange interactions.

Computational research on lithium ion battery materials

NASA Astrophysics Data System (ADS)

Tang, Ping

Crystals of LiFePO4 and related materials have recently received a lot of attention due to their very promising use as cathodes in rechargeable lithium ion batteries. This thesis studied the electronic structures of FePO 4 and LiMPO4, where M=Mn, Fe, Co and Ni within the framework of density-functional theory. The first study compared the electronic structures of the LiMPO 4 and FePO4 materials in their electrochemically active olivine form, using the LAPW (linear augmented plane wave) method [1]. A comparison of results for various spin configurations suggested that the ferromagnetic configuration can serve as a useful approximation for studying general features of these systems. The partial densities of states for the LiMPO4 materials are remarkably similar to each other, showing the transition metal 3d states forming narrow bands above the O 2p band. By contrast, in absence of Li, the majority spin transition metal 3d states are well-hybridized with the O 2p band in FePO4. The second study compared the electronic structures of FePO4 in several crystal structures including an olivine, monoclinic, quartz-like, and CrVO4-like form [2,3]. For this work, in addition to the LAPW method, PAW (Projector Augmented Wave) [4], and PWscf (plane-wave pseudopotential) [5] methods were used. By carefully adjusting the computational parameters, very similar results were achieved for the three independent computational methods. Results for the relative stability of the four crystal structures are reported. In addition, partial densities of state analyses show qualitative information about the crystal field splittings and bond hybridizations and help rationalize the understanding of the electrochemical and stability properties of these materials.

Topological helical edge states in water waves over a topographical bottom

NASA Astrophysics Data System (ADS)

Wu, Shiqiao; Wu, Ying; Mei, Jun

2018-02-01

We present the discovery of topologically protected helical edge states in water wave systems, which are realized in water wave propagating over a topographical bottom whose height is modulated periodically in a two-dimensional triangular pattern. We develop an effective Hamiltonian to characterize the dispersion relation and use spin Chern numbers to classify the topology. Through full-wave simulations we unambiguously demonstrate the robustness of the helical edge states which are immune to defects and disorders so that the backscattering loss is significantly reduced. A spin splitter is designed for water wave systems, where helical edge states with different spin orientations are spatially separated with each other, and potential applications are discussed.

p-wave triggered superconductivity in single-layer graphene on an electron-doped oxide superconductor.

PubMed

Di Bernardo, A; Millo, O; Barbone, M; Alpern, H; Kalcheim, Y; Sassi, U; Ott, A K; De Fazio, D; Yoon, D; Amado, M; Ferrari, A C; Linder, J; Robinson, J W A

2017-01-19

Electron pairing in the vast majority of superconductors follows the Bardeen-Cooper-Schrieffer theory of superconductivity, which describes the condensation of electrons into pairs with antiparallel spins in a singlet state with an s-wave symmetry. Unconventional superconductivity was predicted in single-layer graphene (SLG), with the electrons pairing with a p-wave or chiral d-wave symmetry, depending on the position of the Fermi energy with respect to the Dirac point. By placing SLG on an electron-doped (non-chiral) d-wave superconductor and performing local scanning tunnelling microscopy and spectroscopy, here we show evidence for a p-wave triggered superconducting density of states in SLG. The realization of unconventional superconductivity in SLG offers an exciting new route for the development of p-wave superconductivity using two-dimensional materials with transition temperatures above 4.2 K.

p-wave triggered superconductivity in single-layer graphene on an electron-doped oxide superconductor

PubMed Central

Di Bernardo, A.; Millo, O.; Barbone, M.; Alpern, H.; Kalcheim, Y.; Sassi, U.; Ott, A. K.; De Fazio, D.; Yoon, D.; Amado, M.; Ferrari, A. C.; Linder, J.; Robinson, J. W. A.

2017-01-01

Electron pairing in the vast majority of superconductors follows the Bardeen–Cooper–Schrieffer theory of superconductivity, which describes the condensation of electrons into pairs with antiparallel spins in a singlet state with an s-wave symmetry. Unconventional superconductivity was predicted in single-layer graphene (SLG), with the electrons pairing with a p-wave or chiral d-wave symmetry, depending on the position of the Fermi energy with respect to the Dirac point. By placing SLG on an electron-doped (non-chiral) d-wave superconductor and performing local scanning tunnelling microscopy and spectroscopy, here we show evidence for a p-wave triggered superconducting density of states in SLG. The realization of unconventional superconductivity in SLG offers an exciting new route for the development of p-wave superconductivity using two-dimensional materials with transition temperatures above 4.2 K. PMID:28102222

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

Zuo, Zhiqi

The Full Potential Linear Augmented Plane Wave (FPLAPW or FLAPW) method is used for a spin-polarized band calculation for ordered Fe 3Pt. As major purpose, the momentum distributions of the spin-polarized electrons are calculated and compared with results from a magnetic Compton scattering measurement. To get related information, the electronic behavior is also analyzed by examining the partial densities of states and the spatial electron distributions; the role of alloying effects is then explored by studying the electrons in some related alloys: Fe 3Ni, Fe 3Pd, Ni 3Pt and Co 3Pt.

Unconventional superconductivity in Y5Rh6Sn18 probed by muon spin relaxation

PubMed Central

Bhattacharyya, Amitava; Adroja, Devashibhai; Kase, Naoki; Hillier, Adrian; Akimitsu, Jun; Strydom, Andre

2015-01-01

Conventional superconductors are robust diamagnets that expel magnetic fields through the Meissner effect. It would therefore be unexpected if a superconducting ground state would support spontaneous magnetics fields. Such broken time-reversal symmetry states have been suggested for the high—temperature superconductors, but their identification remains experimentally controversial. We present magnetization, heat capacity, zero field and transverse field muon spin relaxation experiments on the recently discovered caged type superconductor Y5Rh6Sn18 ( TC= 3.0 K). The electronic heat capacity of Y5Rh6Sn18 shows a T3 dependence below Tc indicating an anisotropic superconducting gap with a point node. This result is in sharp contrast to that observed in the isostructural Lu5Rh6Sn18 which is a strong coupling s—wave superconductor. The temperature dependence of the deduced superfluid in density Y5Rh6Sn18 is consistent with a BCS s—wave gap function, while the zero-field muon spin relaxation measurements strongly evidences unconventional superconductivity through a spontaneous appearance of an internal magnetic field below the superconducting transition temperature, signifying that the superconducting state is categorized by the broken time-reversal symmetry. PMID:26286229

Fermi wave vector for the partially spin-polarized composite-fermion Fermi sea

NASA Astrophysics Data System (ADS)

Balram, Ajit C.; Jain, J. K.

2017-12-01

The fully spin-polarized composite-fermion (CF) Fermi sea at the half-filled lowest Landau level has a Fermi wave vector kF*=√{4 π ρe } , where ρe is the density of electrons or composite fermions, supporting the notion that the interaction between composite fermions can be treated perturbatively. Away from ν =1 /2 , the area is seen to be consistent with kF*=√{4 π ρe } for ν <1 /2 but kF*=√{4 π ρh } for ν >1 /2 , where ρh is the density of holes in the lowest Landau level. This result is consistent with particle-hole symmetry in the lowest Landau level. We investigate in this article the Fermi wave vector of the spin-singlet CF Fermi sea (CFFS) at ν =1 /2 , for which particle-hole symmetry is not a consideration. Using the microscopic CF theory, we find that for the spin-singlet CFFS the Fermi wave vectors for up- and down-spin CFFSs at ν =1 /2 are consistent with kF*↑,↓=√{4 π ρe↑,↓ } , where ρe↑=ρe↓=ρe/2 , which implies that the residual interactions between composite fermions do not cause a nonperturbative correction for spin-singlet CFFS either. Our results suggest the natural conjecture that for arbitrary spin polarization the CF Fermi wave vectors are given by kF*↑=√{4 π ρe↑ } and kF*↓=√{4 π ρe↓ } .

Electronic structure and magnetic properties of dilute U impurities in metals

NASA Astrophysics Data System (ADS)

Mohanta, S. K.; Cottenier, S.; Mishra, S. N.

2016-05-01

The electronic structure and magnetic moment of dilute U impurity in metallic hosts have been calculated from first principles. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave+local orbital (APW+lo) technique, taking account of spin-orbit coupling and Coulomb correlation through LDA+U approach. We present here our results for the local density of states, magnetic moment and hyperfine field calculated for an isolated U impurity embedded in hosts with sp-, d- and f-type conduction electrons. The results of our systematic study provide a comprehensive insight on the pressure dependence of 5f local magnetism in metallic systems. The unpolarized local density of states (LDOS), analyzed within the frame work of Stoner model suggest the occurrence of local moment for U in sp-elements, noble metals and f-block hosts like La, Ce, Lu and Th. In contrast, U is predicted to be nonmagnetic in most transition metal hosts except in Sc, Ti, Y, Zr, and Hf consistent with the results obtained from spin polarized calculation. The spin and orbital magnetic moments of U computed within the frame of LDA+U formalism show a scaling behavior with lattice compression. We have also computed the spin and orbital hyperfine fields and a detail analysis has been carried out. The host dependent trends for the magnetic moment, hyperfine field and 5f occupation reflect pressure induced change of electronic structure with U valency changing from 3+ to 4+ under lattice compression. In addition, we have made a detailed analysis of the impurity induced host spin polarization suggesting qualitatively different roles of f-band electrons on moment stability. The results presented in this work would be helpful towards understanding magnetism and spin fluctuation in U based alloys.

Itinerant density wave instabilities at classical and quantum critical points

DOE PAGES

Feng, Yejun; van Wezel, Jasper; Wang, Jiyang; ...

2015-07-27

Charge ordering in metals is a fundamental instability of the electron sea, occurring in a host of materials and often linked to other collective ground states such as superconductivity. What is difficult to parse, however, is whether the charge order originates among the itinerant electrons or whether it arises from the ionic lattice. Here in this study we employ high-resolution X-ray diffraction, combined with high-pressure and low-temperature techniques and theoretical modelling, to trace the evolution of the ordering wavevector Q in charge and spin density wave systems at the approach to both thermal and quantum phase transitions. The non-monotonic behaviourmore » of Q with pressure and the limiting sinusoidal form of the density wave point to the dominant role of the itinerant instability in the vicinity of the critical points, with little influence from the lattice. Fluctuations rather than disorder seem to disrupt coherence.« less

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

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

Controllable Quantum States Mesoscopic Superconductivity and Spintronics (MS+S2006)

NASA Astrophysics Data System (ADS)

Takayanagi, Hideaki; Nitta, Junsaku; Nakano, Hayato

2008-10-01

Mesoscopic effects in superconductors. Tunneling measurements of charge imbalance of non-equilibrium superconductors / R. Yagi. Influence of magnetic impurities on Josephson current in SNS junctions / T. Yokoyama. Nonlinear response and observable signatures of equilibrium entanglement / A. M. Zagoskin. Stimulated Raman adiabatic passage with a Cooper pair box / Giuseppe Falci. Crossed Andreev reflection-induced giant negative magnetoresistance / Francesco Giazotto -- Quantum modulation of superconducting junctions. Adiabatic pumping through a Josephson weak link / Fabio Taddei. Squeezing of superconducting qubits / Kazutomu Shiokawa. Detection of Berrys phases in flux qubits with coherent pulses / D. N. Zheng. Probing entanglement in the system of coupled Josephson qubits / A. S. Kiyko. Josephson junction with tunable damping using quasi-particle injection / Ryuta Yagi. Macroscopic quantum coherence in rf-SQUIDs / Alexey V. Ustinov. Bloch oscillations in a Josephson circuit / D. Esteve. Manipulation of magnetization in nonequilibrium superconducting nanostructures / F. Giazotto -- Superconducting qubits. Decoherence and Rabi oscillations in a qubit coupled to a quantum two-level system / Sahel Ashhab. Phase-coupled flux qubits: CNOT operation, controllable coupling and entanglement / Mun Dae Kim. Characteristics of a switchable superconducting flux transformer with a DC-SQUID / Yoshihiro Shimazu. Characterization of adiabatic noise in charge-based coherent nanodevices / E. Paladino -- Unconventional superconductors. Threshold temperatures of zero-bias conductance peak and zero-bias conductance dip in diffusive normal metal/superconductor junctions / Iduru Shigeta. Tunneling conductance in 2DEG/S junctions in the presence of Rashba spin-orbit coupling / T. Yokoyama. Theory of charge transport in diffusive ferromagnet/p-wave superconductor junctions / T. Yokoyama. Theory of enhanced proximity effect by the exchange field in FS bilayers / T. Yokoyama. Theory of Josephson effect in diffusive d-wave junctions / T. Yokoyama. Quantum dissipation due to the zero energy bound states in high-T[symbol] superconductor junctions / Shiro Kawabata. Spin-polarized heat transport in ferromagnet/unconventional superconductor junctions / T. Yokoyama. Little-Parks oscillations in chiral p-wave superconducting rings / Mitsuaki Takigawa. Theoretical study of synergy effect between proximity effect and Andreev interface resonant states in triplet p-wave superconductors / Yasunari Tanuma. Theory of proximity effect in unconventional superconductor junctions / Y. Tanaka -- Quantum information. Analyzing the effectiveness of the quantum repeater / Kenichiro Furuta. Architecture-dependent execution time of Shor's algorithm / Rodney Van Meter -- Quantum dots and Kondo effects. Coulomb blockade properties of 4-gated quantum dot / Shinichi Amaha. Order-N electronic structure calculation of n-type GaAs quantum dots / Shintaro Nomura. Transport through double-dots coupled to normal and superconducting leads / Yoichi Tanaka. A study of the quantum dot in application to terahertz single photon counting / Vladimir Antonov. Electron transport through laterally coupled double quantum dots / T. Kubo. Dephasing in Kondo systems: comparison between theory and experiment / F. Mallet. Kondo effect in quantum dots coupled with noncollinear ferromagnetic leads / Daisuke Matsubayashi. Non-crossing approximation study of multi-orbital Kondo effect in quantum dot systems / Tomoko Kita. Theoretical study of electronic states and spin operation in coupled quantum dots / Mikio Eto. Spin correlation in a double quantum dot-quantum wire coupled system / S. Sasaki. Kondo-assisted transport through a multiorbital quantum dot / Rui Sakano. Spin decay in a quantum dot coupled to a quantum point contact / Massoud Borhani -- Quantum wires, low-dimensional electrons. Control of the electron density and electric field with front and back gates / Masumi Yamaguchi. Effect of the array distance on the magnetization configuration of submicron-sized ferromagnetic rings / Tetsuya Miyawaki. A wide GaAs/GaAlAs quantum well simultaneously containing two dimensional electrons and holes / Ane Jensen. Simulation of the photon-spin quantum state transfer process / Yoshiaki Rikitake. Magnetotransport in two-dimensional electron gases on cylindrical surface / Friedland Klaus-Juergen. Full counting statistics for a single-electron transistor at intermediate conductance / Yasuhiro Utsumi. Creation of spin-polarized current using quantum point contacts and its detection / Mikio Eto. Density dependent electron effective mass in a back-gated quantum well / S. Nomura. The supersymmetric sigma formula and metal-insulator transition in diluted magnetic semiconductors / I. Kanazawa. Spin-photovoltaic effect in quantum wires / A. Fedorov -- Quantum interference. Nonequilibrium transport in Aharonov-Bohm interferometer with electron-phonon interaction / Akiko Ueda. Fano resonance and its breakdown in AB ring embedded with a molecule / Shigeo Fujimoto, Yuhei Natsume. Quantum resonance above a barrier in the presence of dissipation / Kohkichi Konno. Ensemble averaging in metallic quantum networks / F. Mallet -- Coherence and order in exotic materials. Progress towards an electronic array on liquid helium / David Rees. Measuring noise and cross correlations at high frequencies in nanophysics / T. Martin. Single wall carbon nanotube weak links / K. Grove-Rasmussen. Optical preparation of nuclear spins coupled to a localized electron spin / Guido Burkard. Topological effects in charge density wave dynamics / Toru Matsuura. Studies on nanoscale charge-density-wave systems: fabrication technique and transport phenomena / Katsuhiko Inagaki. Anisotropic behavior of hysteresis induced by the in-plane field in the v = 2/3 quantum Hall state / Kazuki Iwata. Phase diagram of the v = 2 bilayer quantum Hall state / Akira Fukuda -- Trapped ions (special talk). Quantum computation with trapped ions / Hartmut Häffner.

Central charge from adiabatic transport of cusp singularities in the quantum Hall effect

NASA Astrophysics Data System (ADS)

Can, Tankut

2017-04-01

We study quantum Hall (QH) states on a punctured Riemann sphere. We compute the Berry curvature under adiabatic motion in the moduli space in the large N limit. The Berry curvature is shown to be finite in the large N limit and controlled by the conformal dimension of the cusp singularity, a local property of the mean density. Utilizing exact sum rules obtained from a Ward identity, we show that for the Laughlin wave function, the dimension of a cusp singularity is given by the central charge, a robust geometric response coefficient in the QHE. Thus, adiabatic transport of curvature singularities can be used to determine the central charge of QH states. We also consider the effects of threaded fluxes and spin-deformed wave functions. Finally, we give a closed expression for all moments of the mean density in the integer QH state on a punctured disk.

μ SR study of the noncentrosymmetric superconductor PbTaSe2

NASA Astrophysics Data System (ADS)

Wilson, M. N.; Hallas, A. M.; Cai, Y.; Guo, S.; Gong, Z.; Sankar, R.; Chou, F. C.; Uemura, Y. J.; Luke, G. M.

2017-06-01

We present muon spin rotation and relaxation (μ SR ) measurements on the noncentrosymmetric superconductor PbTaSe2. From measurements in an applied transverse field between Hc 1 and Hc 2, we extract the superfluid density as a function of temperature in the vortex state. These data can be fit with a fully gapped two-band model, consistent with previous evidence from ARPES, thermal conductivity, and resistivity. Furthermore, zero-field measurements show no evidence for a time-reversal symmetry-breaking field greater than 0.05 G in the superconducting state. This makes exotic fully gapped spin-triplet states unlikely, and hence we contend that PbTaSe2 is characterized by conventional BCS s -wave superconductivity in multiple bands.

Using magnons to probe spintronic materials properties

NASA Astrophysics Data System (ADS)

McMichael, Robert

2012-02-01

For many spin-based electronic devices, from the read sensors in modern hard disk drives to future spintronic logic concepts, the device physics originates in spin polarized currents in ferromagnetic metals. In this talk, I will describe a novel ``Spin Wave Doppler'' method that uses the interaction of spin waves with spin-polarized currents to determine the spin drift velocity and the spin current polarization [1]. Owing to differences between the band structures of majority-spin and minority-spin electrons, the electrical current also carries an angular momentum current and magnetic moment current. Passing these coupled currents though a magnetic wire changes the linear excitations of the magnetization, i.e spin waves. Interestingly, the excitations can be described as drifting ``downstream'' with the electron flow. We measure this drift velocity by monitoring the spin-wave-mediated transmission between pairs of periodically patterned antennas on magnetic wires as a function of current density in the wire. The transmission frequency resonance shifts by 2πδf = vk where the drift velocity v is proportional to both the current density and the current polarization P. I will discuss measurements of the spin polarization of the current in Ni80Fe20 [2], and novel alloys (CoFe)1-xGax [3] and (Ni80Fe20)1-xGdx [4]. [4pt] [1] V. Vlaminck and M. Bailleul, Science, 322, 410 (2008) [0pt] [2] M. Zhu, C. L. Dennis, and R. D. McMichael, Phys. Rev. B, 81, 140407 (2010). [0pt] [3] M. Zhu, B. D. Soe, R. D. McMichael, M. J. Carey, S. Maat, and J. R. Childress, Appl. Phys. Lett., 98, 072510 (2011). [0pt] [4] R. L. Thomas, M. Zhu, C. L. Dennis, V. Misra and R. D. McMichael, J. Appl. Phys., 110, 033902 (2011).

Differential cross sections and polarization observables from CLAS K *photoproduction and the search for new N* states

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

Anisovich, A. V.

The reactionmore » $$\\gamma p \\to K^{*+} \\Lambda$$ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the $$\\Lambda$$ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from $N(1895)1/2^-$ and $N(2100)1/2^+$ to the reaction. Branching ratios for decays into $$K^*\\Lambda$$ for these resonances and further resonances are reported.« less

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

Differential cross sections and polarization observables from CLAS K *photoproduction and the search for new N* states

DOE PAGES

Anisovich, A. V.

2017-05-16

The reactionmore » $$\\gamma p \\to K^{*+} \\Lambda$$ was measured using the CLAS detector for photon energies between the threshold and 3.9 GeV at the Thomas Jefferson National Accelerator Facility. For the first time, spin-density matrix elements have been extracted for this reaction. Differential cross sections, spin density matrix elements, and the $$\\Lambda$$ recoil polarization are compared with theoretical predictions using the BnGa partial wave analysis. The main result is the evidence for significant contributions from $N(1895)1/2^-$ and $N(2100)1/2^+$ to the reaction. Branching ratios for decays into $$K^*\\Lambda$$ for these resonances and further resonances are reported.« 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.

Exact near-onset analysis of the spin-density-wave instability in ferromagnetic superconductors: The linearly polarized state

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

Hu, C.

1984-09-01

Using an approach similar to Abvikosov's theory of the vortex state near H/sub c/2, we have performed an exact, near-onset analysis of a spin-density-wave instability leading to the ''linearly polarized state'' of Greenside et al. in ferromagnetic superconductors. The approach is based on a generalized Ginzburg-Landau theory for such materials, as formulated by Blount and Varma. Two models have been considered. In the (..cap alpha..,..beta..) model, where the bulk magnetic energy is taken to be (1/2)..cap alpha../sub m/M/sup 2/+(1/4)..beta../sub m/M/sup 4/, we find the transition to be second order, and obtain explicit formulas for various physical quantities to leading ordermore » in the deviation from onset. We have also rigorously analyzed the most favored spatial structure just below onset, among all possibilities allowed by the instability, and have concluded that a plane-wave-like structure is favored in a physical limit considered. In the (..cap alpha..,..gamma..) model, where the bulk magnetic energy is taken to be (1/2)..cap alpha../sub m/M/sup 2/+(1/6)..gamma../sub m/M/sup 6/ as is supported by recent experiments for ErRh/sub 4/B/sub 4/, we find the transition to be first order. This approach is then confined to an unphysical branch, which does not permit us to calculate various physical quantities on the physical branch.« less

Measurement of differential cross sections and spin density matrix elements along with a partial wave analysis for gammap → po using CLAS at Jefferson Lab

NASA Astrophysics Data System (ADS)

Williams, Mike

This work presents measurements of differential cross sections, dsigma/dcos qwCM , and spin density matrix elements, r0MM' , for the reaction gammap → po in the energy range 1.72 GeV< s <2.84 GeV. The data were collected at Jefferson Lab, using the CLAS detector, as part of the g11a run period in 2004. Our r0MM' measurements vastly increase the precision of the world's data and extend the large angle measurements by over 400 MeV in s . Our data confirms that for s < 2.1 GeV, the forward angle (small |t|) production amplitude is dominated by t-channel pi0 exchange. At higher energies, existing non-resonant models do a poor job of describing our data. In particular, u-channel models fail to reproduce our highest energy backwards r0MM' measurements. A mass-independent partial wave analysis has also been performed. Near threshold, the dominant resonance contributions extracted are the **** F15 (1680) and *** D 13(1700). Together with the t-channel pi0 exchange, these three waves provide a remarkably good description of our differential cross section and spin density matrix element measurements for s < 2 GeV. Strong, but not conclusive, evidence for the **** G17(2190) has also been extracted. Improved non-resonant models may be necessary to irrefutably show whether this state contributes to o photoproduction. Evidence for missing resonances is suggestive, but inconclusive without theoretical input.

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.

Orbitally limited pair-density-wave phase of multilayer superconductors

NASA Astrophysics Data System (ADS)

Möckli, David; Yanase, Youichi; Sigrist, Manfred

2018-04-01

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

Internal Spin Control, Squeezing and Decoherence in Ensembles of Alkali Atomic Spins

NASA Astrophysics Data System (ADS)

Norris, Leigh Morgan

Large atomic ensembles interacting with light are one of the most promising platforms for quantum information processing. In the past decade, novel applications for these systems have emerged in quantum communication, quantum computing, and metrology. Essential to all of these applications is the controllability of the atomic ensemble, which is facilitated by a strong coupling between the atoms and light. Non-classical spin squeezed states are a crucial step in attaining greater ensemble control. The degree of entanglement present in these states, furthermore, serves as a benchmark for the strength of the atom-light interaction. Outside the broader context of quantum information processing with atomic ensembles, spin squeezed states have applications in metrology, where their quantum correlations can be harnessed to improve the precision of magnetometers and atomic clocks. This dissertation focuses upon the production of spin squeezed states in large ensembles of cold trapped alkali atoms interacting with optical fields. While most treatments of spin squeezing consider only the case in which the ensemble is composed of two level systems or qubits, we utilize the entire ground manifold of an alkali atom with hyperfine spin f greater than or equal to 1/2, a qudit. Spin squeezing requires non-classical correlations between the constituent atomic spins, which are generated through the atoms' collective coupling to the light. Either through measurement or multiple interactions with the atoms, the light mediates an entangling interaction that produces quantum correlations. Because the spin squeezing treated in this dissertation ultimately originates from the coupling between the light and atoms, conventional approaches of improving this squeezing have focused on increasing the optical density of the ensemble. The greater number of internal degrees of freedom and the controllability of the spin-f ground hyperfine manifold enable novel methods of enhancing squeezing. In particular, we find that state preparation using control of the internal hyperfine spin increases the entangling power of squeezing protocols when f>1/2. Post-processing of the ensemble using additional internal spin control converts this entanglement into metrologically useful spin squeezing. By employing a variation of the Holstein-Primakoff approximation, in which the collective spin observables of the atomic ensemble are treated as quadratures of a bosonic mode, we model entanglement generation, spin squeezing and the effects of internal spin control. The Holstein-Primakoff formalism also enables us to take into account the decoherence of the ensemble due to optical pumping. While most works ignore or treat optical pumping phenomenologically, we employ a master equation derived from first principles. Our analysis shows that state preparation and the hyperfine spin size have a substantial impact upon both the generation of spin squeezing and the decoherence of the ensemble. Through a numerical search, we determine state preparations that enhance squeezing protocols while remaining robust to optical pumping. Finally, most work on spin squeezing in atomic ensembles has treated the light as a plane wave that couples identically to all atoms. In the final part of this dissertation, we go beyond the customary plane wave approximation on the light and employ focused paraxial beams, which are more efficiently mode matched to the radiation pattern of the atomic ensemble. The mathematical formalism and the internal spin control techniques that we applied in the plane wave case are generalized to accommodate the non-homogeneous paraxial probe. We find the optimal geometries of the atomic ensemble and the probe for mode matching and generation of spin squeezing.

Internal Spin Control, Squeezing and Decoherence in Ensembles of Alkali Atomic Spins

NASA Astrophysics Data System (ADS)

Norris, Leigh Morgan

Large atomic ensembles interacting with light are one of the most promising platforms for quantum information processing. In the past decade, novel applications for these systems have emerged in quantum communication, quantum computing, and metrology. Essential to all of these applications is the controllability of the atomic ensemble, which is facilitated by a strong coupling between the atoms and light. Non-classical spin squeezed states are a crucial step in attaining greater ensemble control. The degree of entanglement present in these states, furthermore, serves as a benchmark for the strength of the atom-light interaction. Outside the broader context of quantum information processing with atomic ensembles, spin squeezed states have applications in metrology, where their quantum correlations can be harnessed to improve the precision of magnetometers and atomic clocks. This dissertation focuses upon the production of spin squeezed states in large ensembles of cold trapped alkali atoms interacting with optical fields. While most treatments of spin squeezing consider only the case in which the ensemble is composed of two level systems or qubits, we utilize the entire ground manifold of an alkali atom with hyperfine spin f greater or equal to 1/2, a qudit. Spin squeezing requires non-classical correlations between the constituent atomic spins, which are generated through the atoms' collective coupling to the light. Either through measurement or multiple interactions with the atoms, the light mediates an entangling interaction that produces quantum correlations. Because the spin squeezing treated in this dissertation ultimately originates from the coupling between the light and atoms, conventional approaches of improving this squeezing have focused on increasing the optical density of the ensemble. The greater number of internal degrees of freedom and the controllability of the spin-f ground hyperfine manifold enable novel methods of enhancing squeezing. In particular, we find that state preparation using control of the internal hyperfine spin increases the entangling power of squeezing protocols when f >1/2. Post-processing of the ensemble using additional internal spin control converts this entanglement into metrologically useful spin squeezing. By employing a variation of the Holstein-Primakoff approximation, in which the collective spin observables of the atomic ensemble are treated as quadratures of a bosonic mode, we model entanglement generation, spin squeezing and the effects of internal spin control. The Holstein-Primakoff formalism also enables us to take into account the decoherence of the ensemble due to optical pumping. While most works ignore or treat optical pumping phenomenologically, we employ a master equation derived from first principles. Our analysis shows that state preparation and the hyperfine spin size have a substantial impact upon both the generation of spin squeezing and the decoherence of the ensemble. Through a numerical search, we determine state preparations that enhance squeezing protocols while remaining robust to optical pumping. Finally, most work on spin squeezing in atomic ensembles has treated the light as a plane wave that couples identically to all atoms. In the final part of this dissertation, we go beyond the customary plane wave approximation on the light and employ focused paraxial beams, which are more efficiently mode matched to the radiation pattern of the atomic ensemble. The mathematical formalism and the internal spin control techniques that we applied in the plane wave case are generalized to accommodate the non-homogeneous paraxial probe. We find the optimal geometries of the atomic ensemble and the probe for mode matching and generation of spin squeezing.

Quantum corral effects on competing orders and electronic states in chiral d + id or f-wave superconductors.

PubMed

Zuo, Xian-Jun

2018-03-07

Self-consistent calculations are performed to characterize the quantum corral effects on the electronic states of chiral d + id or f-wave superconductors in this paper. A variety of spatial structures of competing orders are revealed in the presence of ferromagnetic nano-corrals, and superconducting islands are found to be absent in the case of small corrals while being seen for large corrals. Compared with the local suppression of superconductivity by a magnetic impurity inside the corral, surprisingly, an additional remarkable feature, i.e., obvious oscillations or enhancement of superconductivity around a non-magnetic impurity, is observed inside the magnetic corral. This is important in view of applications, especially in view of the demand for devices to locally produce strong superconductivity. Meanwhile, the charge density displays obvious modulations due to quantum confinement but in contrast, the spin density pattern exhibits its robustness against the corral effect. Furthermore, we explore the local density of states so as to be directly checked by experiments. We demonstrate that a magnetic corral can suppress the formation of quasi-particle bound states induced by an impurity inside the corral in the chiral d + id state while the f-wave case shows different behaviors. These results also propose a new route to make a distinction between the two competing pairing states in triangular-lattice superconductors.

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.

Transverse spin in the scattering of focused radially and azimuthally polarized vector beams

NASA Astrophysics Data System (ADS)

Singh, Ankit Kumar; Saha, Sudipta; Gupta, Subhasish Dutta; Ghosh, Nirmalya

2018-04-01

We study the effect of focusing of the radially and azimuthally polarized vector beams on the spin angular momentum (SAM) density and Poynting vector of scattered waves from a Mie particle. Remarkably, the study reveals that the SAM density of the scattered field is solely transverse in nature for radially and azimuthally polarized incident vector beams; however, the Poynting vector shows the usual longitudinal character. We also demonstrate that the transverse SAM density can further be tuned with wavelength and focusing of the incident beam by exploiting the interference of different scattering modes. These results may stimulate further experimental techniques to detect the transverse spin and Belinfante's spin-momentum densities.

Tunneling interstitial impurity in iron-chalcogenide-based superconductors

NASA Astrophysics Data System (ADS)

Huang, Huaixiang; Zhang, Degang; Gao, Yi; Ren, Wei; Ting, C. S.

2016-02-01

A pronounced local in-gap zero-energy bound state (ZBS) has been observed by recent scanning tunneling microscopy experiments on the interstitial Fe impurity (IFI) and its nearest-neighboring sites in an FeTe0.5Se0.5 superconducting (SC) compound. By introducing an impurity mechanism, the so-called tunneling impurity, and based on the Bogoliubov-de Gennes equations, we investigate the low-lying energy states of the IFI and the underlying Fe plane. The calculations are performed in the presence as well as in the absence of a magnetic field. We find the IFI-induced ZBS does not shift or split in a magnetic field as long as the tunneling parameter between the IFI and the Fe plane is sufficiently small and the Fe plane is deep in the SC state. Our results are in good agreement with experiments. We also show that in the underdoped cases, modulation of the spin density wave or charge density wave will suppress the intensity of the ZBS on the Fe plane in a vortex state.

A reconfigurable waveguide for energy-efficient transmission and local manipulation of information in a nanomagnetic device

NASA Astrophysics Data System (ADS)

Haldar, Arabinda; Kumar, Dheeraj; Adeyeye, Adekunle Olusola

2016-05-01

Spin-wave-based devices promise to usher in an era of low-power computing where information is carried by the precession of the electrons' spin instead of dissipative translation of their charge. This potential is, however, undermined by the need for a bias magnetic field, which must remain powered on to maintain an anisotropic device characteristic. Here, we propose a reconfigurable waveguide design that can transmit and locally manipulate spin waves without the need for any external bias field once initialized. We experimentally demonstrate the transmission of spin waves in straight as well as curved waveguides without a bias field, which has been elusive so far. Furthermore, we experimentally show a binary gating of the spin-wave signal by controlled switching of the magnetization, locally, in the waveguide. The results have potential implications in high-density integration and energy-efficient operation of nanomagnetic devices at room temperature.

Temperature dependence of current polarization in Ni80Fe20 by spin wave Doppler measurements

NASA Astrophysics Data System (ADS)

Zhu, Meng; Dennis, Cindi; McMichael, Robert

2010-03-01

The temperature dependence of current polarization in ferromagnetic metals will be important for operation of spin-torque switched memories and domain wall devices in a wide temperature range. Here, we use the spin wave Doppler technique[1] to measure the temperature dependence of both the magnetization drift velocity v(T) and the current polarization P(T) in Ni80Fe20. We obtain these values from current-dependent shifts of the spin wave transmission resonance frequency for fixed-wavelength spin waves in current-carrying wires. For current densities of 10^11 A/m^2, we obtain v(T) decreasing from 4.8 ±0.3 m/s to 4.1 ±0.1 m/s and P(T) dropping from 0.75±0.05 to 0.58±0.02 over a temperature range from 80 K to 340 K. [1] V. Vlaminck et al. Science 322, 410 (2008);

Quantum gap and spin-wave excitations in the Kitaev model on a triangular lattice

NASA Astrophysics Data System (ADS)

Avella, Adolfo; Di Ciolo, Andrea; Jackeli, George

2018-05-01

We study the effects of quantum fluctuations on the dynamical generation of a gap and on the evolution of the spin-wave spectra of a frustrated magnet on a triangular lattice with bond-dependent Ising couplings, analog of the Kitaev honeycomb model. The quantum fluctuations lift the subextensive degeneracy of the classical ground-state manifold by a quantum order-by-disorder mechanism. Nearest-neighbor chains remain decoupled and the surviving discrete degeneracy of the ground state is protected by a hidden model symmetry. We show how the four-spin interaction, emergent from the fluctuations, generates a spin gap shifting the nodal lines of the linear spin-wave spectrum to finite energies.

Intrinsic superspin Hall current

NASA Astrophysics Data System (ADS)

Linder, Jacob; Amundsen, Morten; Risinggârd, Vetle

2017-09-01

We discover an intrinsic superspin Hall current: an injected charge supercurrent in a Josephson junction containing heavy normal metals and a ferromagnet generates a transverse spin supercurrent. There is no accompanying dissipation of energy, in contrast to the conventional spin Hall effect. The physical origin of the effect is an antisymmetric spin density induced among transverse modes ky near the interface of the superconductor arising due to the coexistence of p -wave and conventional s -wave superconducting correlations with a belonging phase mismatch. Our predictions can be tested in hybrid structures including thin heavy metal layers combined with strong ferromagnets and ordinary s -wave superconductors.

Out-of-equilibrium dynamics of photoexcited spin-state concentration waves

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

Marino, Andrea; Buron-Le Cointe, M.; Lorenc, M.

2015-01-28

The spin crossover compound [Fe IIH 2L 2-Me][PF 6]2 presents a two-step phase transition. In the intermediate phase, a spin state concentration wave (SSCW) appears resulting from a symmetry breaking (cell doubling) associated with a long-range order of alternating high and low spin molecular states. Lastly, by combining time-resolved optical and X-ray diffraction measurements on a single crystal, we study how such a system responds to femtosecond laser excitation and we follow in real time the erasing and rewriting of the SSCW

Magnetic and Electric Transverse Spin Density of Spatially Confined Light

NASA Astrophysics Data System (ADS)

Neugebauer, Martin; Eismann, Jörg S.; Bauer, Thomas; Banzer, Peter

2018-04-01

When a beam of light is laterally confined, its field distribution can exhibit points where the local magnetic and electric field vectors spin in a plane containing the propagation direction of the electromagnetic wave. The phenomenon indicates the presence of a nonzero transverse spin density. Here, we experimentally investigate this transverse spin density of both magnetic and electric fields, occurring in highly confined structured fields of light. Our scheme relies on the utilization of a high-refractive-index nanoparticle as a local field probe, exhibiting magnetic and electric dipole resonances in the visible spectral range. Because of the directional emission of dipole moments that spin around an axis parallel to a nearby dielectric interface, such a probe particle is capable of locally sensing the magnetic and electric transverse spin density of a tightly focused beam impinging under normal incidence with respect to said interface. We exploit the achieved experimental results to emphasize the difference between magnetic and electric transverse spin densities.

Quantum dust magnetosonic waves with spin and exchange correlation effects

NASA Astrophysics Data System (ADS)

Maroof, R.; Mushtaq, A.; Qamar, A.

2016-01-01

Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.).

Anisotropic itinerant magnetism and spin fluctuations in BaFe2As2 : A neutron scattering study

NASA Astrophysics Data System (ADS)

Matan, K.; Morinaga, R.; Iida, K.; Sato, T. J.

2009-02-01

Neutron scattering measurements were performed to investigate magnetic excitations in a single-crystal sample of the ternary iron arsenide BaFe2As2 , a parent compound of a recently discovered family of Fe-based superconductors. In the ordered state, we observe low energy spin-wave excitations with a gap energy Δ=9.8(4)meV . The in-plane spin-wave velocity vab and out-of-plane spin-wave velocity vc measured at 12 meV are 280(150) and 57(7)meVÅ , respectively. At high energy, we observe anisotropic scattering centered at the antiferromagnetic wave vectors. This scattering indicates two-dimensional spin dynamics, which possibly exist inside the Stoner continuum. At TN=136(1)K , the gap closes and quasielastic scattering is observed above TN , indicative of short-range spin fluctuations. In the paramagnetic state, the scattering intensity along the L direction becomes “rodlike,” characteristic of uncorrelated out-of-plane spins, attesting to the two-dimensionality of the system.

Quantum coherent switch utilizing commensurate nanoelectrode and charge density periodicities

DOEpatents

Harrison,; Neil, Singleton [Santa Fe, NM; John, Migliori [Los Alamos, NM; Albert, [Santa Fe, NM

2008-08-05

A quantum coherent switch having a substrate formed from a density wave (DW) material capable of having a periodic electron density modulation or spin density modulation, a dielectric layer formed onto a surface of the substrate that is orthogonal to an intrinsic wave vector of the DW material; and structure for applying an external spatially periodic electrostatic potential over the dielectric layer.

Frustrated quantum magnetism in the Kondo lattice on the zigzag ladder

NASA Astrophysics Data System (ADS)

Peschke, Matthias; Rausch, Roman; Potthoff, Michael

2018-03-01

The interplay between the Kondo effect, indirect magnetic interaction, and geometrical frustration is studied in the Kondo lattice on the one-dimensional zigzag ladder. Using the density-matrix renormalization group, the ground-state and various short- and long-range spin- and density-correlation functions are calculated for the model at half filling as a function of the antiferromagnetic Kondo interaction down to J =0.3 t , where t is the nearest-neighbor hopping on the zigzag ladder. Geometrical frustration is shown to lead to at least two critical points: Starting from the strong-J limit, where almost local Kondo screening dominates and where the system is a nonmagnetic Kondo insulator, antiferromagnetic correlations between nearest-neighbor and next-nearest-neighbor local spins become stronger and stronger, until at Jcdim≈0.89 t frustration is alleviated by a spontaneous breaking of translational symmetry and a corresponding transition to a dimerized state. This is characterized by antiferromagnetic correlations along the legs and by alternating antiferro- and ferromagnetic correlations on the rungs of the ladder. A mechanism of partial Kondo screening that has been suggested for the Kondo lattice on the two-dimensional triangular lattice is not realized in the one-dimensional case. Furthermore, within the symmetry-broken dimerized state, there is a magnetic transition to a 90∘ quantum spin spiral with quasi-long-range order at Jcmag≈0.84 t . The quantum-critical point is characterized by a closure of the spin gap (with decreasing J ) and a divergence of the spin-correlation length and of the spin-structure factor S (q ) at wave vector q =π /2 . This is opposed to the model on the one-dimensional bipartite chain, which is known to have a finite spin gap for all J >0 at half filling.

Nonreciprocal Transverse Photonic Spin and Magnetization-Induced Electromagnetic Spin-Orbit Coupling

PubMed Central

Levy, Miguel; Karki, Dolendra

2017-01-01

We present a formulation of electromagnetic spin-orbit coupling in magneto-optic media, and propose an alternative source of spin-orbit coupling to non-paraxial optics vortices. Our treatment puts forth a formulation of nonreciprocal transverse-spin angular-momentum-density shifts for evanescent waves in magneto-optic waveguide media. It shows that magnetization-induced electromagnetic spin-orbit coupling is possible, and that it leads to unequal spin to orbital angular momentum conversion in magneto-optic media evanescent waves in opposite propagation-directions. Generation of free-space helicoidal beams based on this conversion is shown to be spin-helicity- and magnetization-dependent. We show that transverse-spin to orbital angular momentum coupling into magneto-optic waveguide media engenders spin-helicity-dependent unidirectional propagation. This unidirectional effect produces different orbital angular momenta in opposite directions upon excitation-spin-helicity reversals. PMID:28059120

NMR studies of spin dynamics in cuprates

NASA Astrophysics Data System (ADS)

Takigawa, M.; Mitzi, D. B.

1994-04-01

We report recent NMR results in cuprates. The oxygen Knight shift and the Cu nuclear spin-lattice relaxation rate in Bi2.1Sr1.94Ca0.88Cu2.07O8+δ single crystals revealed a gapless superconducting state, which can be most naturally explained by a d-wave pairing state and the intrinsic disorder in this material. The Cu nuclear spin-spin relaxation rate in underdoped YBa2Cu3O6.63 shows distinct temperature dependence from the spin-lattice relaxation rate, providing direct evidence for a pseudo spin-gap near the antiferromagnetic wave vector.

Spin-polarized structural, elastic, electronic and magnetic properties of half-metallic ferromagnetism in V-doped ZnSe

NASA Astrophysics Data System (ADS)

Monir, M. El Amine.; Baltache, H.; Murtaza, G.; Khenata, R.; Ahmed, Waleed K.; Bouhemadou, A.; Omran, S. Bin; Seddik, T.

2015-01-01

Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn1-xVxSe (for x=0.25, 0.50, 0.75) in zinc blende structure have been studied. The investigation was done using the full-potential augmented plane wave method as implemented in WIEN2k code. The exchange-correlation potential was treated with the generalized gradient approximation PBE-GGA for the structural and elastic properties. Moreover, the PBE-GGA+U approximation (where U is the Hubbard correlation terms) is employed to treat the "d" electrons properly. A comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA+U schemes is presented. The analysis of spin-polarized band structure and density of states shows the half-metallic ferromagnetic character and are also used to determine s(p)-d exchange constants N0α (conduction band) and N0β (valence band) due to Se(4p)-V(3d) hybridization. It has been clearly evidence that the magnetic moment of V is reduced from its free space change value of 3 μB and the minor atomic magnetic moment on Zn and Se are generated.

SU (N ) spin-wave theory: Application to spin-orbital Mott insulators

NASA Astrophysics Data System (ADS)

Dong, Zhao-Yang; Wang, Wei; Li, Jian-Xin

2018-05-01

We present the application of the SU (N ) spin-wave theory to spin-orbital Mott insulators whose ground states exhibit magnetic orders. When taking both spin and orbital degrees of freedom into account rather than projecting Hilbert space onto the Kramers doublet, which is the lowest spin-orbital locked energy levels, the SU (N ) spin-wave theory should take the place of the SU (2 ) one due to the inevitable spin-orbital multipole exchange interactions. To implement the application, we introduce an efficient general local mean-field method, which involves all local fluctuations, and develop the SU (N ) linear spin-wave theory. Our approach is tested firstly by calculating the multipolar spin-wave spectra of the SU (4 ) antiferromagnetic model. Then, we apply it to spin-orbital Mott insulators. It is revealed that the Hund's coupling would influence the effectiveness of the isospin-1 /2 picture when the spin-orbital coupling is not large enough. We further carry out the SU (N ) spin-wave calculations of two materials, α -RuCl3 and Sr2IrO4 , and find that the magnonic and spin-orbital excitations are consistent with experiments.

Doppler Velocimetry of Current Driven Spin Helices in a Two-Dimensional Electron Gas

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

Yang, Luyi

2013-05-17

Spins in semiconductors provide a pathway towards the development of spin-based electronics. The appeal of spin logic devices lies in the fact that the spin current is even under time reversal symmetry, yielding non-dissipative coupling to the electric field. To exploit the energy-saving potential of spin current it is essential to be able to control it. While recent demonstrations of electrical-gate control in spin-transistor configurations show great promise, operation at room temperature remains elusive. Further progress requires a deeper understanding of the propagation of spin polarization, particularly in the high mobility semiconductors used for devices. This dissertation presents the demonstrationmore » and application of a powerful new optical technique, Doppler spin velocimetry, for probing the motion of spin polarization at the level of 1 nm on a picosecond time scale. We discuss experiments in which this technique is used to measure the motion of spin helices in high mobility n-GaAs quantum wells as a function of temperature, in-plane electric field, and photoinduced spin polarization amplitude. We find that the spin helix velocity changes sign as a function of wave vector and is zero at the wave vector that yields the largest spin lifetime. This observation is quite striking, but can be explained by the random walk model that we have developed. We discover that coherent spin precession within a propagating spin density wave is lost at temperatures near 150 K. This finding is critical to understanding why room temperature operation of devices based on electrical gate control of spin current has so far remained elusive. We report that, at all temperatures, electron spin polarization co-propagates with the high-mobility electron sea, even when this requires an unusual form of separation of spin density from photoinjected electron density. Furthermore, although the spin packet co-propagates with the two-dimensional electron gas, spin diffusion is strongly suppressed by electron-electron interactions, leading to remarkable resistance to diffusive spreading of the drifting pulse of spin polarization. Finally, we show that spin helices continue propagate at the same speed as the Fermi sea even when the electron drift velocity exceeds the Fermi velocity of 107 cm s -1.« less

Evidence against a charge density wave on Bi(111)

DOE PAGES

Kim, T. K.; Wells, J.; Kirkegaard, C.; ...

2005-08-18

The Bi(111) surface was studied by scanning tunneling microscopy (STM), transmission electron microscopy (TEM) and angle-resolved photoemission (ARPES) in order to verify the existence of a recently proposed surface charge density wave (CDW). The STM and TEM results to not support a CDW scenario at low temperatures. Thus the quasiparticle interference pattern observed in STM confirms the spin-orbit split character of the surface states which prevents the formation of a CDW, even in the case of good nesting. The dispersion of the electronic states observed with ARPES agrees well with earlier findings. In particular, the Fermi contour of the electronmore » pocket at the centre of the surface Brillouin zone is found to have a hexagonal shape. However, no gap opening or other signatures of a CDW phase transition can be found in the temperature-dependent data.« less

Spin-polarized ground state and exact quantization at ν=5/2

NASA Astrophysics Data System (ADS)

Pan, Wei

2002-03-01

The nature of the even-denominator fractional quantum Hall effect at ν=5/2 remains elusive, in particular, its ground state spin-polarization. An earlier, so-called "hollow core" model arrived at a spin-unpolarized wave function. The more recent calculations based on a model of BCS-like pairing of composite fermions, however, suggest that its ground state is spin-polarized. In this talk, I will first review the earlier experiments and then present our recent experimental results showing evidence for a spin-polarized state at ν=5/2. Our ultra-low temperature experiments on a high quality sample established the fully developed FQHE state at ν=5/2 as well as at ν=7/3 and 8/3, manifested by a vanishing R_xx and exact quantization of the Hall plateau. The tilted field experiments showed that the added in-plane magnetic fields not only destroyed the FQHE at ν=5/2, as seen before, but also induced an electrical anisotropy, which is now interpreted as a phase transition from a paired, spin-polarized ν=5/2 state to a stripe phase, not unlike the ones at ν=9/2, 11/2, etc in the N > 1 higher Landau levels. Furthermore, in the experiments on the heterojunction insulated-gate field-effect transistors (HIGFET) at dilution refrigerator temperatures, a strong R_xx minimum and a concomitant developing Hall plateau were observed at ν=5/2 in a magnetic field as high as 12.6 Tesla. This and the subsequent density dependent studies of its energy gap largely rule out a spin-singlet state and point quite convincingly towards a spin-polarized ground state at ν=5/2.

Effects on the magnetic and optical properties of Co-doped ZnO at different electronic states

NASA Astrophysics Data System (ADS)

Huo, Qingyu; Xu, Zhenchao; Qu, Linfeng

2017-12-01

Both blue and red shifts in the absorption spectrum of Co-doped ZnO have been reported at a similar concentration range of doped Co. Moreover, the sources of magnetism of Co-doped ZnO are controversial. To solve these problems, the geometry optimization and energy of different Co-doped ZnO systems were calculated at the states of electron spin polarization and nonspin polarization by adopting plane-wave ultra-soft pseudopotential technology based on density function theory. At the state of electron nonspin polarization, the total energies increased as the concentration of Co-doped increased. The doped systems also became unstable. The formation energies increased and doping became difficult. Furthermore, the band gaps widened and the absorption spectrum exhibited a blue shift. The band gaps were corrected by local-density approximation + U at the state of electron spin polarization. The magnetic moments of the doped systems weakened as the concentration of doped Co increased. The magnetic moments were derived from the coupling effects of sp-d. The band gaps narrowed and the absorption spectrum exhibited a red shift. The inconsistencies of the band gaps and absorption spectrum at the states of electron spin polarization and nonspin polarization were first discovered in this research, and the sources of Co-doped ZnO magnetism were also reinterpreted.

Photoinduced dynamics to photoluminescence in Ln3+ (Ln = Ce, Pr) doped β-NaYF4 nanocrystals computed in basis of non-collinear spin DFT with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Han, Yulun; Vogel, Dayton J.; Inerbaev, Talgat M.; May, P. Stanley; Berry, Mary T.; Kilin, Dmitri S.

2018-03-01

In this work, non-collinear spin DFT + U approaches with spin-orbit coupling (SOC) are applied to Ln3+ doped β-NaYF4 (Ln = Ce, Pr) nanocrystals in Vienna ab initio Simulation Package taking into account unpaired spin configurations using the Perdew-Burke-Ernzerhof functional in a plane wave basis set. The calculated absorption spectra from non-collinear spin DFT + U approaches are compared with that from spin-polarised DFT + U approaches. The spectral difference indicates the importance of spin-flip transitions of Ln3+ ions. Suite of codes for nonadiabatic dynamics has been developed for 2-component spinor orbitals. On-the-fly nonadiabatic coupling calculations provide transition probabilities facilitated by nuclear motion. Relaxation rates of electrons and holes are calculated using Redfield theory in the reduced density matrix formalism cast in the basis of non-collinear spin DFT + U with SOC. The emission spectra are calculated using the time-integrated method along the excited state trajectories based on nonadiabatic couplings.

Lattice dynamics and thermal transport in multiferroic CuCrO2

NASA Astrophysics Data System (ADS)

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.; Said, Ayman; Ehlers, Georg; Abernathy, Douglas L.; Huq, Ashfia; Kirkham, Melanie; Zhou, Haidong; Delaire, Olivier

2017-02-01

Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Néel temperature for long-range antiferromagnetic order, TN≃24 K . Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.

Majorana spin in magnetic atomic chain systems

NASA Astrophysics Data System (ADS)

Li, Jian; Jeon, Sangjun; Xie, Yonglong; Yazdani, Ali; Bernevig, B. Andrei

2018-03-01

In this paper, we establish that Majorana zero modes emerging from a topological band structure of a chain of magnetic atoms embedded in a superconductor can be distinguished from trivial localized zero energy states that may accidentally form in this system using spin-resolved measurements. To demonstrate this key Majorana diagnostics, we study the spin composition of magnetic impurity induced in-gap Shiba states in a superconductor using a hybrid model. By examining the spin and spectral densities in the context of the Bogoliubov-de Gennes (BdG) particle-hole symmetry, we derive a sum rule that relates the spin densities of localized Shiba states with those in the normal state without superconductivity. Extending our investigations to a ferromagnetic chain of magnetic impurities, we identify key features of the spin properties of the extended Shiba state bands, as well as those associated with a localized Majorana end mode when the effect of spin-orbit interaction is included. We then formulate a phenomenological theory for the measurement of the local spin densities with spin-polarized scanning tunneling microscopy (STM) techniques. By combining the calculated spin densities and the measurement theory, we show that spin-polarized STM measurements can reveal a sharp contrast in spin polarization between an accidental-zero-energy trivial Shiba state and a Majorana zero mode in a topological superconducting phase in atomic chains. We further confirm our results with numerical simulations that address generic parameter settings.

Generalized spin-wave theory: Application to the bilinear-biquadratic model

NASA Astrophysics Data System (ADS)

Muniz, Rodrigo A.; Kato, Yasuyuki; Batista, Cristian D.

2014-08-01

We present a mathematical framework for the multi-boson approach that has been used several times for treating spin systems. We demonstrate that the multi-boson approach corresponds to a generalization of the traditional spin-wave theory from SU(2) to SU(N), where N is the number of states of the local degree of freedom. Low-energy excitations are waves of the local order parameter that fluctuates in the SU(N) space of unitary transformations of the local spin states, instead of the SU(2) space of local spin rotations. Since the generators of the SU(N) group can be represented as bilinear forms in N-flavored bosons, the low-energy modes of the generalized spin-wave theory (GSWT) are described with N-1 different bosons, which provide a more accurate description of low-energy excitations even for the usual ferromagnetic and antiferromagnetic phases. The generalization enables the treatment of quantum spin systems whose ground states exhibit multipolar ordering as well as the detection of instabilities of magnetically ordered states (dipolar ordering) towards higher multipolar orderings. We illustrate the advantages of the GSWT by applying it to a bilinear-biquadratic model of arbitrary spin S on hypercubic lattices, and then analyzing the spectrum of dipolar phases in order to find their instabilities. In contrast to the known results for S=1 when the biquadratic term in the Hamiltonian is negative, we find that there is no nematic phase between the ferromagnetic or antiferromagnetic orderings for S>1.

Spin-1 Kitaev model in one dimension

NASA Astrophysics Data System (ADS)

Sen, Diptiman; Shankar, R.; Dhar, Deepak; Ramola, Kabir

2010-11-01

We study a one-dimensional version of the Kitaev model on a ring of size N , in which there is a spin S>1/2 on each site and the Hamiltonian is J∑nSnxSn+1y . The cases where S is integer and half-odd integer are qualitatively different. We show that there is a Z2 -valued conserved quantity Wn for each bond (n,n+1) of the system. For integer S , the Hilbert space can be decomposed into 2N sectors, of unequal sizes. The number of states in most of the sectors grows as dN , where d depends on the sector. The largest sector contains the ground state, and for this sector, for S=1 , d=(5+1)/2 . We carry out exact diagonalization for small systems. The extrapolation of our results to large N indicates that the energy gap remains finite in this limit. In the ground-state sector, the system can be mapped to a spin-1/2 model. We develop variational wave functions to study the lowest energy states in the ground state and other sectors. The first excited state of the system is the lowest energy state of a different sector and we estimate its excitation energy. We consider a more general Hamiltonian, adding a term λ∑nWn , and show that this has gapless excitations in the range λ1c≤λ≤λ2c . We use the variational wave functions to study how the ground-state energy and the defect density vary near the two critical points λ1c and λ2c .

Mass-number and excitation-energy dependence of the spin cutoff parameter

DOE PAGES

Grimes, S. M.; Voinov, A. V.; Massey, T. N.

2016-07-12

Here, the spin cutoff parameter determining the nuclear level density spin distribution ρ(J) is defined through the spin projection as < J 2 z > 1/2 or equivalently for spherical nuclei, (< J(J+1) >/3) 1/2. It is needed to divide the total level density into levels as a function of J. To obtain the total level density at the neutron binding energy from the s-wave resonance count, the spin cutoff parameter is also needed. The spin cutoff parameter has been calculated as a function of excitation energy and mass with a super-conducting Hamiltonian. Calculations have been compared with two commonlymore » used semiempirical formulas. A need for further measurements is also observed. Some complications for deformed nuclei are discussed. The quality of spin cut off parameter data derived from isomeric ratio measurement is examined.« less

Coriolis effect in optics: unified geometric phase and spin-Hall effect.

PubMed

Bliokh, Konstantin Y; Gorodetski, Yuri; Kleiner, Vladimir; Hasman, Erez

2008-07-18

We examine the spin-orbit coupling effects that appear when a wave carrying intrinsic angular momentum interacts with a medium. The Berry phase is shown to be a manifestation of the Coriolis effect in a noninertial reference frame attached to the wave. In the most general case, when both the direction of propagation and the state of the wave are varied, the phase is given by a simple expression that unifies the spin redirection Berry phase and the Pancharatnam-Berry phase. The theory is supported by the experiment demonstrating the spin-orbit coupling of electromagnetic waves via a surface plasmon nanostructure. The measurements verify the unified geometric phase, demonstrated by the observed polarization-dependent shift (spin-Hall effect) of the waves.

Diversity of Chemical Bonding and Oxidation States in MS 4 Molecules of Group 8 Elements

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

Huang, Wei; Jiang, Ning; Schwarz, W. H. Eugen

The geometric and electronic ground-state structures of six MS 4 molecules (M = group-8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density-functional and correlated wave-function approaches. The MS 4 species are compared to analogous MO 4 species recently investi-gated (Inorg. Chem. 2016, 55: 4616). Metal oxidation state (MOS) of high value VIII appears in low- spin singlet Td geometric species (Os,Hs)S 4 and (Ru,Os,Hs)O 4, whereas low MOS=II appears in high- spin septet D 2d species Fe(S 2) 2 and (slightly excited) metastable Fe(O 2) 2. The ground states of all other moleculesmore » have intermediate MOS values, containing S 2-, S 2 2-, S2 1- (and resp. O 2--, O 1-, O 2 2-, O 2 1-) ligands, bonded by ionic, covalent and correlative contributions.« less

Theoretical study of the density of states and magnetic properties of LaCoO3

NASA Astrophysics Data System (ADS)

Zhuang, Min; Zhang, Weiyi; Hu, Cheng; Ming, Naiben

1998-05-01

The density of states and magnetic properties of low-spin, high-spin, and mixing states of LaCoO3 have been studied within the unrestricted Hartree-Fock approximation. The real-space recursion method is adopted for computing the electronic structure of the disordered system. The paramagnetic high-spin state is dealt with using the usual binary alloy coherent potential approximation (CPA); an extended trinary alloy CPA approximation is developed to describe the mixing state. In agreement with experiments, our results show that the main features of the quasiparticle spectra in the mixing state are not a sensitive function of the high-spin component, but the spectrum does get broadened due to spin scattering. The increasing of the high-spin component also results in a pileup of the density of states at the Fermi energy which indicates an insulator to metal phase transition. Some limitations of the present approach are also discussed.

Extinction of quasiparticle interference in underdoped cuprates with coexisting order

NASA Astrophysics Data System (ADS)

Andersen, Brian M.; Hirschfeld, P. J.

2009-04-01

Scanning tunneling spectroscopy (STS) measurements [Y. Kohsaka , Nature (London) 454, 1072 (2008)] have shown that dispersing quasiparticle interference (QPI) peaks in Fourier-transformed conductance maps disappear as the bias voltage exceeds a certain threshold corresponding to the coincidence of the contour of constant quasiparticle energy with the period-doubled (e.g., antiferromagnetic) zone boundary. Here we show that this may be caused by coexisting order present in the d -wave superconducting phase. We show explicitly how QPI peaks are extinguished in the situation with coexisting long-range spin-density wave order and discuss the connection with the more realistic case where short-range order is created by quenched disorder. Since it is the localized QPI peaks rather than the underlying antinodal states themselves which are destroyed at a critical bias, our proposal resolves a conflict between STS and photoemission spectroscopy regarding the nature of these states. We also study the momentum-summed density of states in the coexisting phase and show how the competing order produces a kink inside the “V”-shaped d -wave superconducting gap in agreement with recent STS measurements [J. W. Alldredge , Nat. Phys. 4, 319 (2008)].

Magnetic State of Quasiordered Fe-Al Alloys Doped with Ga and B: Magnetic Phase Separation and Spin Order

NASA Astrophysics Data System (ADS)

Voronina, E. V.; Ivanova, A. G.; Arzhnikov, A. K.; Chumakov, A. I.; Chistyakova, N. I.; Pyataev, A. V.; Korolev, A. V.

2018-04-01

Results of structural, magnetic, and Mössbauer studies of quasi ordered alloys Fe65Al35 - x M x ( M x = Ga, B; x = 0, 5 at %) are presented. The magnetic state of examined structurally-single-phase alloys at low temperatures is interpreted from the viewpoint of magnetic phase separation. An explanation is proposed for the observed behavior of magnetic characteristics of Fe65Al35 and Fe65Al30Ga5 in the framework of the model of two magnetic phases, a ferromagnetic-type one and a spin density wave. The boron-doped alloy Fe65Al30B5 is shown to demonstrate behavior that is typical of materials with the ferromagnetic type of ordering.

Theoretical investigation of excitonic magnetism in LaSrCoO4

NASA Astrophysics Data System (ADS)

Fernández Afonso, J.; Sotnikov, A.; Kuneš, J.

2018-04-01

We use the LDA+U approach to search for possible ordered ground states of LaSrCoO4. We find a staggered arrangement of magnetic multipoles to be stable over a broad range of Co 3d interaction parameters. This ordered state can be described as a spin-density-wave-type condensate of dxy \\otimes dx^2-y^2 excitons carrying spin S  =  1. Further, we construct an effective strong-coupling model, calculate the exciton dispersion and investigate closing of the exciton gap, which marks the exciton condensation instability. Comparing the layered LaSrCoO4 with its pseudo cubic analog LaCoO3, we find that for the same interaction parameters the excitonic gap is smaller (possibly vanishing) in the layered cobaltite.

Dirac electron in a chiral space-time crystal created by counterpropagating circularly polarized plane electromagnetic waves

NASA Astrophysics Data System (ADS)

Borzdov, G. N.

2017-10-01

The family of solutions to the Dirac equation for an electron moving in an electromagnetic lattice with the chiral structure created by counterpropagating circularly polarized plane electromagnetic waves is obtained. At any nonzero quasimomentum, the dispersion equation has two solutions which specify bispinor wave functions describing electron states with different energies and mean values of momentum and spin operators. The inversion of the quasimomentum results in two other linearly independent solutions. These four basic wave functions are uniquely defined by eight complex scalar functions (structural functions), which serve as convenient building blocks of the relations describing the electron properties. These properties are illustrated in graphical form over a wide range of quasimomenta. The superpositions of two basic wave functions describing different spin states and corresponding to (i) the same quasimomentum (unidirectional electron states with the spin precession) and (ii) the two equal-in-magnitude but oppositely directed quasimomenta (bidirectional electron states) are also treated.

Probing density and spin correlations in two-dimensional Hubbard model with ultracold fermions

NASA Astrophysics Data System (ADS)

Chan, Chun Fai; Drewes, Jan Henning; Gall, Marcell; Wurz, Nicola; Cocchi, Eugenio; Miller, Luke; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

2017-04-01

Quantum gases of interacting fermionic atoms in optical lattices is a promising candidate to study strongly correlated quantum phases of the Hubbard model such as the Mott-insulator, spin-ordered phases, or in particular d-wave superconductivity. We experimentally realise the two-dimensional Hubbard model by loading a quantum degenerate Fermi gas of 40 K atoms into a three-dimensional optical lattice geometry. High-resolution absorption imaging in combination with radiofrequency spectroscopy is applied to spatially resolve the atomic distribution in a single 2D layer. We investigate in local measurements of spatial correlations in both the density and spin sector as a function of filling, temperature and interaction strength. In the density sector, we compare the local density fluctuations and the global thermodynamic quantities, and in the spin sector, we observe the onset of non-local spin correlation, signalling the emergence of the anti-ferromagnetic phase. We would report our recent experimental endeavours to investigate further down in temperature in the spin sector.

Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs

NASA Technical Reports Server (NTRS)

Ning, C. Z.; Wu, M. W.

2003-01-01

A paper presents a study of the contribution of the Dyakonov-Perel (DP) effect to spin dephasing in electron-donor-doped bulk GaAs in the presence of an applied steady, moderate magnetic field perpendicular to the growth axis of the GaAs crystal. (The DP effect is an electron-wave-vector-dependent spin-state splitting of the conduction band, caused by a spin/orbit interaction in a crystal without an inversion center.) The applicable Bloch equations of kinetics were constructed to include terms accounting for longitudinal optical and acoustic phonon scattering as well as impurity scattering. The contributions of the aforementioned scattering mechanisms to spin-dephasing time in the presence of DP effect were examined by solving the equations numerically. Spin-dephasing time was obtained from the temporal evolution of the incoherently summed spin coherence. Effects of temperature, impurity level, magnetic field, and electron density on spin-dephasing time were investigated. Spin-dephasing time was found to increase with increasing magnetic field. Contrary to predictions of previous simplified treatments of the DP effect, spin-dephasing time was found to increase with temperature in the presence of impurity scattering. These results were found to agree qualitatively with results of recent experiments.

Self-propulsion of a planar electric or magnetic microbot immersed in a polar viscous fluid

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

2011-05-01

A planar sheet immersed in an electrically polar liquid like water can propel itself by means of a plane wave charge density propagating in the sheet. The corresponding running electric wave polarizes the fluid and causes an electrical torque density to act on the fluid. The sheet is convected by the fluid motion resulting from the conversion of rotational particle motion, generated by the torque density, into translational fluid motion by the mechanism of friction and spin diffusion. Similarly, a planar sheet immersed in a magnetic ferrofluid can propel itself by means of a plane wave current density in the sheet and the torque density acting on the fluid corresponding to the running wave magnetic field and magnetization. The effect is studied on the basis of the micropolar fluid equations of motion and Maxwell’s equations of electrostatics or magnetostatics, respectively. An analytic expression is derived for the velocity of the sheet by perturbation theory to second order in powers of the amplitude of the driving charge or current density. Under the assumption that the equilibrium magnetic equation of state may be used in linearized form and that higher harmonics than the first may be neglected, a set of self-consistent integral equations is derived which can be solved numerically by iteration. In typical situations the second-order perturbation theory turns out to be quite accurate.

Universal spin-momentum locked optical forces

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

Kalhor, Farid; Thundat, Thomas; Jacob, Zubin, E-mail: zjacob@purdue.edu

2016-02-08

Evanescent electromagnetic waves possess spin-momentum locking, where the direction of propagation (momentum) is locked to the inherent polarization of the wave (transverse spin). We study the optical forces arising from this universal phenomenon and show that the fundamental origin of recently reported non-trivial optical chiral forces is spin-momentum locking. For evanescent waves, we show that the direction of energy flow, the direction of decay, and the direction of spin follow a right hand rule for three different cases of total internal reflection, surface plasmon polaritons, and HE{sub 11} mode of an optical fiber. Furthermore, we explain how the recently reportedmore » phenomena of lateral optical force on chiral and achiral particles are caused by the transverse spin of the evanescent field and the spin-momentum locking phenomenon. Finally, we propose an experiment to identify the unique lateral forces arising from the transverse spin in the optical fiber and point to fundamental differences of the spin density from the well-known orbital angular momentum of light. Our work presents a unified view on spin-momentum locking and how it affects optical forces on chiral and achiral particles.« less

Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model

NASA Astrophysics Data System (ADS)

Jia, C. J.; Moritz, B.; Chen, C.-C.; Shastry, B. Sriram; Devereaux, T. P.

2011-09-01

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range d-wave pair field term, which precipitates a superconducting state in the d-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the d-wave pair/spin/charge-density matrices. The calculations show a d-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion U and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping t'. We also demonstrate that negative t' plays an important role in facilitating d-wave superconductivity.

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.

Emergence of fully gapped s++-wave and nodal d-wave states mediated by orbital and spin fluctuations in a ten-orbital model of KFe2Se2

NASA Astrophysics Data System (ADS)

Saito, Tetsuro; Onari, Seiichiro; Kontani, Hiroshi

2011-04-01

We study the superconducting state in recently discovered high-Tc superconductor KxFe2Se2 based on the ten-orbital Hubbard-Holstein model without hole pockets. When the Coulomb interaction is large, a spin-fluctuation-mediated d-wave state appears due to the nesting between electron pockets. Interestingly, the symmetry of the body-centered tetragonal structure in KxFe2Se2 requires the existence of nodes in the d-wave gap, although a fully gapped d-wave state is realized in the case of a simple tetragonal structure. In the presence of moderate electron-phonon interaction due to Fe-ion optical modes, however, orbital fluctuations give rise to the fully gapped s++-wave state without sign reversal. Therefore, both superconducting states are distinguishable by careful measurements of the gap structure or the impurity effect on Tc.

Quantum dynamics of a particle with a spin-dependent velocity

NASA Astrophysics Data System (ADS)

Aslangul, Claude

2005-01-01

We study the dynamics of a particle in continuous time and space, the displacement of which is governed by an internal degree of freedom (spin). In one definite limit, the so-called quantum random walk is recovered but, although quite simple, the model possesses a rich variety of dynamics and goes far beyond this problem. Generally speaking, our framework can describe the motion of an electron in a magnetic sea near the Fermi level when linearization of the dispersion law is possible, coupled to a transverse magnetic field. Quite unexpected behaviours are obtained. In particular, we find that when the initial wave packet is fully localized in space, the Jz angular momentum component is frozen; this is an interesting example of an observable which, although it is not a constant of motion, has a constant expectation value. For a non-completely localized wave packet, the effect still occurs although less pronounced, and the spin keeps for ever memory of its initial state. Generally speaking, as time goes on, the spatial density profile looks rather complex, as a consequence of the competition between drift and precession, and displays various shapes according to the ratio between the Larmor period and the characteristic time of flight. The density profile gradually changes from a multimodal quickly moving distribution when the scattering rate is small, to a unimodal standing but flattening distribution in the opposite case.

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.

Superconductivity and spin excitations in orbitally ordered FeSe

NASA Astrophysics Data System (ADS)

Kreisel, Andreas; Mukherjee, Shantanu; Hirschfeld, P. J.; Andersen, B. M.

We provide a band-structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on the Fe-based superconductor FeSe, including a mean-field like orbital ordering in the dxz /dyz channel, and show that this model also accounts for the temperature dependence of the measured Knight shift and the spin-relaxation rate. An RPA calculation of the dynamical spin susceptibility yields spin excitations which are peaked at wave vector (π , 0) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the 'V'-shaped density of states measured by tunneling spectroscopy on this material. The redistribution of spectral weight in the superconducting state creates a (π , 0) ''neutron resonance'' as seen in recent experiments. Comparing to various experimental results, we give predictions for further studies A.K. and B.M.A. acknowledge financial support from a Lundbeckfond fellowship (Grant No. A9318). P.J.H. was partially supported by the Department of Energy under Grant No. DE-FG02-05ER46236.

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.

Magnon edge states in the hardcore- Bose-Hubbard model.

PubMed

Owerre, S A

2016-11-02

Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

Searching for a 4 α linear-chain structure in excited states of 16O with covariant density functional theory

NASA Astrophysics Data System (ADS)

Yao, J. M.; Itagaki, N.; Meng, J.

2014-11-01

A study of the 4 α linear-chain structure in high-lying collective excitation states of 16O with covariant density functional theory is presented. The low-spin states are obtained by configuration mixing of particle-number and angular-momentum projected quadrupole deformed mean-field states with the generator coordinate method. The high-spin states are determined by cranking calculations. These two calculations are based on the same energy density functional PC-PK1. We have found a rotational band at low spin with the dominant intrinsic configuration considered to be the one whereby 4 α clusters stay along a common axis. The strongly deformed rod shape also appears in the high-spin region with the angular momentum 13 ℏ to18 ℏ ; however, whether the state is a pure 4 α linear chain is less obvious than for the low-spin states.

A well-scaling natural orbital theory

DOE PAGES

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-11-01

Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

A well-scaling natural orbital theory

PubMed Central

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-01-01

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

Interplay between Rashba interaction and electromagnetic field in the edge states of a two-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Dolcini, Fabrizio

2017-02-01

The effects of Rashba interaction and electromagnetic field on the edge states of a two-dimensional topological insulator are investigated in a nonperturbative way. We show that the electron dynamics is equivalent to a problem of massless Dirac fermions propagating with an inhomogeneous velocity, enhanced by the Rashba profile with respect to the bare Fermi value vF. Despite the inelastic and time-reversal breaking processes induced by the electromagnetic field, no backscattering occurs without interaction. The photoexcited electron densities are explicitly obtained in terms of the electric field and the Rashba interaction, and are shown to fulfill generalized chiral anomaly equations. The case of a Gaussian electromagnetic pulse is analyzed in detail. When the photoexcitation occurs far from the Rashba region, the latter effectively acts as a "superluminal gate" boosting the photoexcited wave packet outside the light-cone determined by vF. In contrast, for an electric pulse overlapping the Rashba region, the emerging wave packets are squeezed in a manner that depends on the overlap area. The electron-electron interaction effects are also discussed, for both intraspin and interspin density-density coupling. The results suggest that Rashba interaction, often considered as an unwanted disorder effect, may be exploited to tailor the shape and the propagation time of photoexcited spin-polarized wave packets.

Persistent Spin Current in a Hard-Wall Confining Quantum Wire with Weak Dresselhaus Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Fu, Xi; Zhou, Guang-Hui

2009-02-01

We investigate theoretically the spin current in a quantum wire with weak Dresselhaus spin-orbit coupling connected to two normal conductors. Both the quantum wire and conductors are described by a hard-wall confining potential. Using the electron wave-functions in the quantum wire and a new definition of spin current, we have calculated the elements of linear spin current density js,xiT and js,yiT (i = x, y, z). We find that the elements jTs,xx and jTs,yy have a antisymmetrical relation and the element jTs,yz has the same amount level as js,xxT and js,yyT. We also find a net linear spin current density, which has peaks at the center of quantum wire. The net linear spin current can induce a linear electric field, which may imply a way of spin current detection.

Coalescing neutron stars - a step towards physical models. I. Hydrodynamic evolution and gravitational-wave emission.

NASA Astrophysics Data System (ADS)

Ruffert, M.; Janka, H.-T.; Schaefer, G.

1996-07-01

We investigate the dynamics and evolution of coalescing neutron stars. The three-dimensional Newtonian equations of hydrodynamics are integrated by the "Piecewise Parabolic Method" on an equidistant Cartesian grid with a resolution of 64^3^ or 128^3^. Although the code is purely Newtonian, we do include the emission of gravitational waves and their backreaction on the hydrodynamic flow. The properties of neutron star matter are described by the physical equation of state of Lattimer & Swesty (1991). In addition to the fundamental hydrodynamic quantities, density, momentum, and energy, we follow the time evolution of the electron density in the stellar gas. Energy loss by all types of neutrinos and changes of the electron fraction due to the emission of electron neutrinos and antineutrinos are taken into account by an elaborate "neutrino leakage scheme". We simulate the coalescence of two identical, cool neutron stars with a baryonic mass of =~1.6Msun_ and a radius of =~15km and with an initial center-to-center distance of 42km. The initial distributions of density and electron concentration are given from a model of a cold neutron star in hydrostatic equilibrium, the temperature in our initial models is increased such that the thermal energy is about 3% of the degeneracy energy for given density and electron fraction (central temperature about 8MeV). We investigate three cases which differ by the initial velocity distribution in the neutron stars, representing different cases of the neutron star spins relative to the direction of the orbital angular momentum vector. The orbit decays due to gravitational-wave emission, and after half a revolution the stars are so close that dynamical instability sets in. Within about 1ms they merge into a rapidly spinning (P_spin_=~1ms), high-density body (ρ=~10^14^g/cm^3^) with a surrounding thick disk of material with densities ρ=~10^10^-10^12^g/cm^3^ and orbital velocities of 0.3-0.5c. In this work we evaluate the models in detail with respect to the gravitational wave emission using the quadrupole approximation. In a forthcoming paper we will concentrate on the neutrino emission and implications for gamma-ray bursters. The peak emission of gravitational waves is short but powerful. A maximum luminosity in excess of 10^55^erg/s is reached for about 1ms. The amplitudes of the gravitational waves are close to 3x10^-23^ at a distance of 1Gpc, and the typical frequencies are between 1KHz and 2KHz, near the dynamical frequency of the orbital motion of the merging and coalescing neutron stars. In contrast to the diverging gravitational wave amplitude of two coalescing point-masses, our models show decreasing amplitudes of the waves because of the finite extension of the neutron stars and the nearly spherical shape of the merged object toward the end of the simulations. The structure and temporal development of the gravitational wave signal and energy spectrum show systematic trends with the amount of angular momentum in the system and depend on the details of the hydrodynamic mass motions.

Low-energy excitations of a Bose-Einstein condensate of rigid rotor molecules

NASA Astrophysics Data System (ADS)

Smith, Joseph; Jones, Evan; Rittenhouse, Seth; Wilson, Ryan; Peden, Brandon

2017-04-01

We investigate the properties of the ground state and low-lying excitations of an oblate Bose-Einstein condensate composed of rigid rotor molecules in the presence of an external polarizing electric field. We build in a quantum model of molecular polarizability by including the full manifold of rotational states. The interplay between spatial and microscopic degrees of freedom via feedback between the molecular polarizability and inter-molecular dipole-dipole interactions leads to a rich quasi-particle spectrum. Under large applied fields, we reproduce the well-understood density-wave rotonization that appears in a fully polarized dipolar BEC, but under smaller applied fields, we predict the emergence of a spin wave instability and possible new stable ground state phases. We gratefully acknowledge support from the National Science Foundation under Grant No. PHYS-1516421.

Surface magnetism in a chiral d -wave superconductor with hexagonal symmetry

NASA Astrophysics Data System (ADS)

Goryo, Jun; Imai, Yoshiki; Rui, W. B.; Sigrist, Manfred; Schnyder, Andreas P.

2017-10-01

Surface properties are examined in a chiral d -wave superconductor with hexagonal symmetry, whose one-body Hamiltonian possesses intrinsic spin-orbit coupling identical to the one characterizing the topological nature of the Kane-Mele honeycomb insulator. In the normal state, spin-orbit coupling gives rise to spontaneous surface spin currents, whereas in the superconducting state, besides the spin currents, there exist also charge surface currents, due to chiral pairing symmetry. Interestingly, the combination of these two currents results in a surface spin polarization, whose spatial dependence is markedly different on the zigzag and armchair surfaces. We discuss various potential candidate materials, such as SrPtAs, which may exhibit these surface properties.

Neutron Capture Measurements on 97Mo with the DANCE Array

NASA Astrophysics Data System (ADS)

Walker, Carrie L.

Neutron capture is a process that is crucial to understanding nucleosynthesis, reactors, and nuclear weapons. Precise knowledge of neutron capture cross-sections and level densities is necessary in order to model these high-flux environments. High-confidence spin and parity assignments for neutron resonances are of critical importance to this end. For nuclei in the A=100 mass region, the p-wave neutron strength function is at a maximum, and the s-wave strength function is at a minimum, producing up to six possible Jpi combinations. Parity determination becomes important to assigning spins in this mass region, and the large number of spin groups adds complexity to the problem. In this work, spins and parities for 97Mo resonances are assigned, and best fit models for photon strength function and level density are determined. The neutron capture-cross section for 97Mo is also determined, as are resonance parameters for neutron energies ranging from 16 eV to 2 keV.

Solid State Spin-Wave Quantum Memory for Time-Bin Qubits.

PubMed

Gündoğan, Mustafa; Ledingham, Patrick M; Kutluer, Kutlu; Mazzera, Margherita; de Riedmatten, Hugues

2015-06-12

We demonstrate the first solid-state spin-wave optical quantum memory with on-demand read-out. Using the full atomic frequency comb scheme in a Pr(3+):Y2SiO5 crystal, we store weak coherent pulses at the single-photon level with a signal-to-noise ratio >10. Narrow-band spectral filtering based on spectral hole burning in a second Pr(3+):Y2SiO5 crystal is used to filter out the excess noise created by control pulses to reach an unconditional noise level of (2.0±0.3)×10(-3) photons per pulse. We also report spin-wave storage of photonic time-bin qubits with conditional fidelities higher than achievable by a measure and prepare strategy, demonstrating that the spin-wave memory operates in the quantum regime. This makes our device the first demonstration of a quantum memory for time-bin qubits, with on-demand read-out of the stored quantum information. These results represent an important step for the use of solid-state quantum memories in scalable quantum networks.

Surface Acoustic Wave Study of Exciton Condensation in Bilayer Quantum Hall Systems

NASA Astrophysics Data System (ADS)

Pollanen, J.; Eisenstein, J. P.; Pfeiffer, L. N.; West, K. W.

In bilayer two-dimensional electron systems (2DES) in GaAs a strongly correlated many-electron state forms at low temperature and high magnetic field when the total electron density nT becomes equal to the degeneracy of a single spin split Landau level. This state corresponds to a total filling factor νT = 1 and can be described in terms of pseudospin ferromagnetism, or equivalently, Bose condensation of bilayer excitons. We have simultaneously measured magneto-transport and the propagation of pulsed surface acoustic waves (SAWs) at a frequency of 747 MHz to explore the phase transition between two independent layers at νT = 1 / 2 + 1 / 2 and the correlated state at νT = 1 in a high quality double quantum well device. We tune through this transition by varying the total electron density in our device with front and backside electrostatic gates. We acknowledge funding provided by the Institute for Quantum Information and Matter, an NSF Physics Frontiers Center (NFS Grant PHY-1125565) with support of the Gordon and Betty Moore Foundation (GBMF-12500028).

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions

NASA Astrophysics Data System (ADS)

Jerke, Jonathan; Poirier, Bill

2018-03-01

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions.

PubMed

Jerke, Jonathan; Poirier, Bill

2018-03-14

Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy-i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted-as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.

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.

Damped spin waves in the intermediate ordered phases in Ni 3V 2O 8

DOE PAGES

Ehlers, Georg; Podlesnyak, Andrey A.; Frontzek, Matthias D.; ...

2015-06-09

Here, spin dynamics in the intermediate ordered phases (between 4 and 9 K) in Ni 3V 2O 8 have been studied with inelastic neutron scattering. It is found that the spin waves are very diffuse, indicative of short lived correlations and the coexistence of paramagnetic moments with the long-range ordered state.

Confined states in photonic-magnonic crystals with complex unit cell

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

Dadoenkova, Yu. S.; Novgorod State University, 173003 Veliky Novgorod; Donetsk Physical and Technical Institute of the National Academy of Sciences of Ukraine, 83114 Donetsk

2016-08-21

We have investigated multifunctional periodic structures in which electromagnetic waves and spin waves can be confined in the same areas. Such simultaneous localization of both sorts of excitations can potentially enhance the interaction between electromagnetic waves and spin waves. The system we considered has a form of one dimensional photonic-magnonic crystal with two types of magnetic layers (thicker and thinner ones) separated by sections of the dielectric photonic crystals. We focused on the electromagnetic defect modes localized in the magnetic layers (areas where spin waves can be excited) and decaying in the sections of conventional (nonmagnetic) photonic crystals. We showedmore » how the change of relative thickness of two types of the magnetic layers can influence on the spectrum of spin waves and electromagnetic defect modes, both localized in magnetic parts of the system.« less

A new look at the Y tetraquarks and Ω _c baryons in the diquark model

NASA Astrophysics Data System (ADS)

Ali, Ahmed; Maiani, Luciano; Borisov, Anatoly V.; Ahmed, Ishtiaq; Aslam, M. Jamil; Parkhomenko, Alexander Ya.; Polosa, Antonio D.; Rehman, Abdur

2018-01-01

We analyze the hidden charm P-wave tetraquarks in the diquark model, using an effective Hamiltonian incorporating the dominant spin-spin, spin-orbit and tensor interactions. We compare with other P-wave systems such as P-wave charmonia and the newly discovered Ω _c baryons, analysed recently in this framework. Given the uncertain experimental situation on the Y states, we allow for different spectra and discuss the related parameters in the diquark model. In addition to the presently observed ones, we expect many more states in the supermultiplet of L=1 diquarkonia, whose J^{PC} quantum numbers and masses are worked out, using the parameters from the currently preferred Y-states pattern. The existence of these new resonances would be a decisive footprint of the underlying diquark dynamics.

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

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

Spin polarization of two-dimensional electron system in parabolic potential

NASA Astrophysics Data System (ADS)

Miyake, Takashi; Totsuji, Chieko; Nakanishi, Kenta; Tsuruta, Kenji; Totsuji, Hiroo

2008-09-01

We analyze the ground state of the two-dimensional quantum system of electrons confined in a parabolic potential with the system size around 100 at 0 K. We map the system onto a classical system on the basis of the classical-map hypernetted-chain (CHNC) method which has been proven to work in the integral-equation-based analyses of uniform systems and apply classical Monte Carlo and molecular dynamics simulations. We find that, when we decrease the strength of confinement keeping the number of confined electrons fixed, the energy of the spin-polarized state with somewhat lower average density becomes smaller than that of the spin-unpolarized state with somewhat higher average density. This system thus undergoes the transition from the spin-unpolarized state to the spin polarized state and the corresponding critical value of r estimated from the average density is as low as r∼0.4 which is much smaller than the r value for the Wigner lattice formation. When we compare the energies of spin-unpolarized and spin-polarized states for given average density, our data give the critical r value for the transition between unpolarized and polarized states around 10 which is close to but still smaller than the known possibility of polarization at r∼27. The advantage of our method is a direct applicability to geometrically complex systems which are difficult to analyze by integral equations and this is an example.

Quantum entanglement and spin control in silicon nanocrystal.

PubMed

Berec, Vesna

2012-01-01

Selective coherence control and electrically mediated exchange coupling of single electron spin between triplet and singlet states using numerically derived optimal control of proton pulses is demonstrated. We obtained spatial confinement below size of the Bohr radius for proton spin chain FWHM. Precise manipulation of individual spins and polarization of electron spin states are analyzed via proton induced emission and controlled population of energy shells in pure (29)Si nanocrystal. Entangled quantum states of channeled proton trajectories are mapped in transverse and angular phase space of (29)Si <100> axial channel alignment in order to avoid transversal excitations. Proton density and proton energy as impact parameter functions are characterized in single particle density matrix via discretization of diagonal and nearest off-diagonal elements. We combined high field and low densities (1 MeV/92 nm) to create inseparable quantum state by superimposing the hyperpolarizationed proton spin chain with electron spin of (29)Si. Quantum discretization of density of states (DOS) was performed by the Monte Carlo simulation method using numerical solutions of proton equations of motion. Distribution of gaussian coherent states is obtained by continuous modulation of individual spin phase and amplitude. Obtained results allow precise engineering and faithful mapping of spin states. This would provide the effective quantum key distribution (QKD) and transmission of quantum information over remote distances between quantum memory centers for scalable quantum communication network. Furthermore, obtained results give insights in application of channeled protons subatomic microscopy as a complete versatile scanning-probe system capable of both quantum engineering of charged particle states and characterization of quantum states below diffraction limit linear and in-depth resolution.PACS NUMBERS: 03.65.Ud, 03.67.Bg, 61.85.+p, 67.30.hj.

Magnetic domain walls as reconfigurable spin-wave nano-channels

NASA Astrophysics Data System (ADS)

Wagner, Kai

Research efforts to utilize spin waves as information carriers for wave based logic in micro- and nano-structured ferromagnetic materials have increased tremendously over the recent years. However, finding efficient means of tailoring and downscaling guided spin-wave propagation in two dimensions, while maintaining energy efficiency and reconfigurability, still remains a delicate challenge. Here we target these challenges by spin-wave transport inside nanometer-scaled potential wells formed along magnetic domain walls. For this, we investigate the magnetization dynamics of a rectangular-like element in a Landau state exhibiting a so called 180° Néel wall along its center. By microwave antennae the rf-excitation is constricted to one end of the domain wall and the spin-wave intensities are recorded by means of Brillouin-Light Scattering microscopy revealing channeled transport. Additional micromagnetic simulations with pulsed as well as cw-excitation are performed to yield further insight into this class of modes. We find several spin-wave modes quantized along the width of the domain wall yet with well defined wave vectors along the wall, exhibiting positive dispersion. In a final step, we demonstrate the flexibility of these spin-wave nano-channels based on domain walls. In contrast to wave guides realised by fixed geometries, domain walls can be easily manipulated. Here we utilize small external fields to control its position with nanometer precision over a micrometer range, while still enabling transport. Domain walls thus, open the perspective for reprogrammable and yet non-volatile spin-wave waveguides of nanometer width. Financial support by the Deutsche Forschungsgemeinschaft within project SCHU2922/1-1 is gratefully acknowledged.

Electronic specific heat and low-energy quasiparticle excitations in the superconducting state of La2-xSrxCuO4 single crystals

NASA Astrophysics Data System (ADS)

Wen, Hai-Hu; Liu, Zhi-Yong; Zhou, Fang; Xiong, Jiwu; Ti, Wenxing; Xiang, Tao; Komiya, Seiki; Sun, Xuefeng; Ando, Yoichi

2004-12-01

Low-temperature specific heat has been measured and extensively analyzed on a series of La2-xSrxCuO4 single crystals from underdoped to overdoped regime. From these data the quasiparticle density of state in the mixed state is derived and compared to the predicted scaling law Cvol/TH=f(T/H) of d -wave superconductivity. It is found that the scaling law can be nicely followed by the optimally doped sample (x=0.15) in quite a wide region of (T/H⩽8K/T) . However, the region for this scaling becomes smaller and smaller toward more underdoped region: a clear trend can be seen for samples from x=0.15to0.069 . Therefore, generally speaking, the scaling quality becomes worse on the underdoped samples in terms of scalable region of T/H . This feature in the underdoped region is explained as due to the low-energy excitations from a second order (for example, antiferromagnetic correlation, d -density wave, spin-density wave, or charge-density wave order) that may coexist or compete with superconductivity. Surprisingly, deviations from the d -wave scaling law have also been found for the overdoped sample (x=0.22) , while the scaling law is reconciled for the overdoped sample, when the core size effect is taken into account. An important discovery of present work is that the zero-temperature data follow the Volovik’s relation Δγ(T=0)=AH quite well for all samples investigated here; although the applicability of the d -wave scaling law to the data at finite temperatures varies with doped-hole concentration. We also present the doping dependence of some parameters, such as the residual linear term γ0 , the α value, etc. It is suggested that the residual linear term (γ0T) of the electronic specific heat observed in all cuprate superconductors is probably due to the inhomogeneity, either chemical or electronic in origin. The field-induced reduction of the specific heat in the mixed state is also reported. Finally, implications on the electronic phase diagram are suggested.

Calculation of the spin-polarized electronic structure of an interstitial iron impurity in silicon

NASA Astrophysics Data System (ADS)

Katayama-Yoshida, H.; Zunger, Alex

1985-06-01

We apply our self-consistent, all-electron, spin-polarized Green's-function method within an impurity-centered, dynamic basis set to study the interstitial iron impurity in silicon. We use two different formulations of the interelectron interactions: the local-spin-density (LSD) formalism and the self-interaction-corrected (SIC) local-spin-density (SIC-LSD) formalism. We find that the SIC-LSD approach is needed to obtain the correct high-spin ground state of Si:Fe+. We propose a quantitative explanation to the observed donor ionization energy and the high-spin ground states for Si:Fe+ within the SIC-LSD approach. For both Si:Fe0 and Si:Fe+, this approach leads to a hyperfine field, contact spin density, and ionization energy in better agreement with experiments than the simple LSD approach. The apparent dichotomy between the covalently delocalized nature of Si:Fe as suggested on the one hand by its reduced hyperfine field (relative to the free atom) and extended spin density and by the occurrence of two closely spaced, stable charge states (within 0.4 eV) and on the other hand by the atomically localized picture (suggested, for example, by the stability of a high-spin, ground-state configuration) is resolved. We find a large reduction in the hyperfine field and contact spin density due to the covalent hybridization between the impurity 3d orbitals and the tails of the delocalized sp3 hybrid orbitals of the surrounding silicon atoms. Using the calculated results, we discuss (i) the underlying mechanism for the stability and plurality of charged states, (ii) the covalent reduction in the hyperfine field, (iii) the remarkable constancy of the impurity Mössbauer isomer shift for different charged states, (iv) comparison with the multiple charged states in ionic crystals, and (v) some related speculation about the mechanism of (Fe2+/Fe3+) oxidation-reduction ionizations in heme proteins and electron-transporting biological systems.

Superconductivity in three-dimensional spin-orbit coupled semimetals

NASA Astrophysics Data System (ADS)

Savary, Lucile; Ruhman, Jonathan; Venderbos, Jörn W. F.; Fu, Liang; Lee, Patrick A.

2017-12-01

Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band touching point. In these semimetals the electronic structure at the Fermi energy is described by spin j =3/2 quasiparticles, which are fundamentally different from those in ordinary metals with spin j =1/2 . For both local and nonlocal pairing channels in j =3/2 materials we develop a general approach to analyzing pairing instabilities, thereby providing the computational tools needed to investigate the physics of these systems beyond phenomenological considerations. Furthermore, applying our method to a generic density-density interaction, we establish that: (i) The pairing strengths in the different symmetry channels uniquely encode the j =3/2 nature of the Fermi surface band structure—a manifestation of the fundamental difference with ordinary metals. (ii) The leading odd-parity pairing instabilities are different for electron doping and hole doping. Finally, we argue that polar phonons, i.e., Coulomb interactions mediated by the long-ranged electric polarization of the optical phonon modes, provide a coupling strength large enough to account for a Kelvin-range transition temperature in the s -wave channel, and are likely to play an important role in the overall attraction in non-s -wave channels. Moreover, the explicit calculation of the coupling strengths allows us to conclude that the two largest non-s -wave contributions occur in nonlocal channels, in contrast with what has been commonly assumed.

Generation of Light with Multimode Time-Delayed Entanglement Using Storage in a Solid-State Spin-Wave Quantum Memory.

PubMed

Ferguson, Kate R; Beavan, Sarah E; Longdell, Jevon J; Sellars, Matthew J

2016-07-08

Here, we demonstrate generating and storing entanglement in a solid-state spin-wave quantum memory with on-demand readout using the process of rephased amplified spontaneous emission (RASE). Amplified spontaneous emission (ASE), resulting from an inverted ensemble of Pr^{3+} ions doped into a Y_{2}SiO_{5} crystal, generates entanglement between collective states of the praseodymium ensemble and the output light. The ensemble is then rephased using a four-level photon echo technique. Entanglement between the ASE and its echo is confirmed and the inseparability violation preserved when the RASE is stored as a spin wave for up to 5  μs. RASE is shown to be temporally multimode with almost perfect distinguishability between two temporal modes demonstrated. These results pave the way for the use of multimode solid-state quantum memories in scalable quantum networks.

Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs.

PubMed

Rezende, Carlos A; San Gil, Rosane A S; Borré, Leandro B; Pires, José Ricardo; Vaiss, Viviane S; Resende, Jackson A L C; Leitão, Alexandre A; De Alencastro, Ricardo B; Leal, Katia Z

2016-09-01

The experiments of carvedilol form II, form III, and hydrate by (13)C and (15)N cross-polarization magic-angle spinning (CP MAS) are reported. The GIPAW (gauge-including projector-augmented wave) method from DFT (density functional theory) calculations was used to simulate (13)C and (15)N chemical shifts. A very good agreement was found for the comparison between the global results of experimental and calculated nuclear magnetic resonance (NMR) chemical shifts for carvedilol polymorphs. This work aims a comprehensive understanding of carvedilol crystalline forms employing solution and solid-state NMR as well as DFT calculations. Copyright © 2016. Published by Elsevier Inc.

Orbitally excited spectra and decay of cc¯ meson

NASA Astrophysics Data System (ADS)

Chaturvedi, Raghav; Rai, A. K.

2018-05-01

We use the hydrogen like trial wave function for computation of the mass spectra and decay properties of charmonia within the framework of phenomenological quark anti-quark Coulomb plus power potential with varying potential index from 0.5 to 2.0. The spin-spin hyperfine interaction is considered to incorporate splitting of the ground and radially excited states energy levels, further spin-orbit and tensor interactions are employed to calculate the masses of orbitally excited states. We construct the Regge trajectories from the mass spectra in (J, M2) and (nr, M2) planes. We also compute γγ decay width of P wave states of cc¯.

High-pressure ultrasonic study of the commensurate-incommensurate spin-density-wave transition in an antiferromagnetic Cr-0.3 at. % Ru alloy single crystal

NASA Astrophysics Data System (ADS)

Cankurtaran, M.; Saunders, G. A.; Wang, Q.; Ford, P. J.; Alberts, H. L.

1992-12-01

A comprehensive experimental study has been made of the elastic and nonlinear acoustic behavior of a dilute Cr alloy as it undergoes a commensurate (C)-incommensurate (I) spin-density-wave transition. Simultaneous measurements of the temperature dependence of ultrasonic wave velocity and attenuation of longitudinal and shear 10-MHz ultrasonic waves propagated along both the [100] and the [110] direction of Cr-0.3 at. % Ru alloy single crystal have been made in the temperature range 200-300 K. The temperature dependence of ultrasonic attenuation for each mode is characterized by a spikelike peak centered at TCI (=238.6 K) (on cooling) and at TIC (=255.6 K) (on warming). The velocities of both longitudinal and shear ultrasonic waves exhibit a large and steep increase at TCI on cooling and a similar drop at TIC on warming with a pronounced hysteresis between TIC and TCI. These observations show that the transition between the commensurate and incommensurate phases is first order. Measurements of the effects of hydrostatic pressure (up to 0.15 GPa) on the velocities of ultrasonic waves, which were made at several fixed temperatures between 248 and 297 K, show similar features: a steep increase at PCI (increasing pressure) and a similar drop at PIC (decreasing pressure) with a well-defined hysteresis. Both TCI and TIC increase strongly and approximately linearly with pressure, the mean values of dTCI/dP and dTIC/dP being (333+/-3) K/GPa and (277+/-5) K/GPa, respectively. The pressure and temperature dependencies of the anomalies in the ultrasonic wave velocity have been used to locate both the C-I and I-C boundaries on the magnetic P-T phase diagram. There is a triple point (at about 315 K and 0.22 GPa) where the paramagnetic, commensurate, and incommensurate spin-density-wave phases coexist. Results for the complete sets of the elastic stiffness tensor components and their hydrostatic pressure derivatives have been used to evaluate the acoustic-mode Grüneisen parameters in both the commensurate and incommensurate phases. These quantify the vibrational anharmonicity of each acoustic phonon mode in the long-wavelength limit and establish which acoustic modes interact strongly with the spin-density waves. Pronounced longitudinal acoustic-mode softening under pressure results in negative Grüneisen parameters, a particularly marked feature of the commensurate phase.

Polarizations of gravitational waves in Horndeski theory

NASA Astrophysics Data System (ADS)

Hou, Shaoqi; Gong, Yungui; Liu, Yunqi

2018-05-01

We analyze the polarization content of gravitational waves in Horndeski theory. Besides the familiar plus and cross polarizations in Einstein's General Relativity, there is one more polarization state which is the mixture of the transverse breathing and longitudinal polarizations. The additional mode is excited by the massive scalar field. In the massless limit, the longitudinal polarization disappears, while the breathing one persists. The upper bound on the graviton mass severely constrains the amplitude of the longitudinal polarization, which makes its detection highly unlikely by the ground-based or space-borne interferometers in the near future. However, pulsar timing arrays might be able to detect the polarization excited by the massive scalar field. Since additional polarization states appear in alternative theories of gravity, the measurement of the polarizations of gravitational waves can be used to probe the nature of gravity. In addition to the plus and cross states, the detection of the breathing polarization means that gravitation is mediated by massless spin 2 and spin 0 fields, and the detection of both the breathing and longitudinal states means that gravitation is propagated by the massless spin 2 and massive spin 0 fields.

Density-Pressure Profiles of Fe-Bearing MgSiO3 Liquid: Effects of Valence and Spin States, and Implications for the Chemical Evolution of the Lower Mantle

NASA Astrophysics Data System (ADS)

Karki, Bijaya B.; Ghosh, Dipta B.; Maharjan, Charitra; Karato, Shun-ichiro; Park, Jeffrey

2018-05-01

Density is a key property controlling the chemical state of Earth's interior. Our knowledge about the density of relevant melt compositions is currently poor at deep-mantle conditions. Here we report results from first-principles molecular-dynamics simulations of Fe-bearing MgSiO3 liquids considering different valence and spin states of iron over the whole mantle pressure conditions. Our simulations predict the high-spin to low-spin transition in both ferrous and ferric iron in the silicate liquid to occur gradually at pressures around 100 GPa. The calculated iron-induced changes in the melt density (about 8% increase for 25% iron content) are primarily due to the difference in atomic mass between Mg and Fe, with smaller contributions (<2%) from the valence and spin states. A comparison of the predicted density of mixtures of (Mg,Fe)(Si,Fe)O3 and (Mg,Fe)O liquids with the mantle density indicates that the density contrast between the melt and residual-solid depends strongly on pressure (depth): in the shallow lower mantle (depths < 1,000 km), the melt is lighter than the solids, whereas in the deep lower mantle (e.g., the D″ layer), the melt density exceeds the mantle density when iron content is relatively high and/or melt is enriched with Fe-rich ferropericlase.

Delocalization of Coherent Triplet Excitons in Linear Rigid Rod Conjugated Oligomers.

PubMed

Hintze, Christian; Korf, Patrick; Degen, Frank; Schütze, Friederike; Mecking, Stefan; Steiner, Ulrich E; Drescher, Malte

2017-02-02

In this work, the triplet state delocalization in a series of monodisperse oligo(p-phenyleneethynylene)s (OPEs) is studied by pulsed electron paramagnetic resonance (EPR) and pulsed electron nuclear double resonance (ENDOR) determining zero-field splitting, optical spin polarization, and proton hyperfine couplings. Neither the zero-field splitting parameters nor the optical spin polarization change significantly with OPE chain length, in contrast to the hyperfine coupling constants, which showed a systematic decrease with chain length n according to a 2/(1 + n) decay law. The results provide striking evidence for the Frenkel-type nature of the triplet excitons exhibiting full coherent delocalization in the OPEs under investigation with up to five OPE repeat units and with a spin density distribution described by a nodeless particle in the box wave function. The same model is successfully applied to recently published data on π-conjugated porphyrin oligomers.

RbEu (Fe1-xNix) 4As4 : From a ferromagnetic superconductor to a superconducting ferromagnet

NASA Astrophysics Data System (ADS)

Liu, Yi; Liu, Ya-Bin; Yu, Ya-Long; Tao, Qian; Feng, Chun-Mu; Cao, Guang-Han

2017-12-01

The intrinsically hole-doped RbEuFe4As4 exhibits bulk superconductivity at Tsc=36.5 K and ferromagnetic ordering in the Eu sublattice at Tm=15 K. Here we present a hole-compensation study by introducing extra itinerant electrons via a Ni substitution in the ferromagnetic superconductor RbEuFe4As4 with Tsc>Tm . With the Ni doping, Tsc decreases rapidly, and the Eu-spin ferromagnetism and its Tm remain unchanged. Consequently, the system RbEu (Fe1-xNix) 4As4 transforms into a superconducting ferromagnet with Tm>Tsc for 0.07 ≤x ≤0.08 . The occurrence of superconducting ferromagnets is attributed to the decoupling between Eu2 + spins and superconducting Cooper pairs. The superconducting and magnetic phase diagram is established, which additionally includes a recovered yet suppressed spin-density-wave state.

Spin susceptibility of charge-ordered YBa2Cu3Oy across the upper critical field

NASA Astrophysics Data System (ADS)

Zhou, Rui; Hirata, Michihiro; Wu, Tao; Vinograd, Igor; Mayaffre, Hadrien; Krämer, Steffen; Reyes, Arneil P.; Kuhns, Philip L.; Liang, Ruixing; Hardy, W. N.; Bonn, D. A.; Julien, Marc-Henri

2017-12-01

The value of the upper critical field Hc2, a fundamental characteristic of the superconducting state, has been subject to strong controversy in high-Tc copper oxides. Since the issue has been tackled almost exclusively by macroscopic techniques so far, there is a clear need for local-probe measurements. Here, we use 17O NMR to measure the spin susceptibility χspin of the CuO2 planes at low temperature in charge-ordered YBa2Cu3Oy. We find that χspin increases (most likely linearly) with magnetic field H and saturates above field values ranging from 20 T to 40 T. This result is consistent with the lowest Hc2 values claimed previously and with the interpretation that the charge density wave (CDW) reduces Hc2 in underdoped YBa2Cu3Oy. Furthermore, the absence of marked deviation in χspin(H) at the onset of long-range CDW order indicates that this Hc2 reduction and the Fermi-surface reconstruction are primarily rooted in the short-range CDW order already present in zero field, not in the field-induced long-range CDW order. Above Hc2, the relatively low values of T= 2 K show that the pseudogap is a ground-state property, independent of the superconducting gap.

Dielectric permeability tensor and linear waves in spin-1/2 quantum kinetics with non-trivial equilibrium spin-distribution functions

NASA Astrophysics Data System (ADS)

Andreev, Pavel A.; Kuz'menkov, L. S.

2017-11-01

A consideration of waves propagating parallel to the external magnetic field is presented. The dielectric permeability tensor is derived from the quantum kinetic equations with non-trivial equilibrium spin-distribution functions in the linear approximation on the amplitude of wave perturbations. It is possible to consider the equilibrium spin-distribution functions with nonzero z-projection proportional to the difference of the Fermi steps of electrons with the chosen spin direction, while x- and y-projections are equal to zero. It is called the trivial equilibrium spin-distribution functions. In the general case, x- and y-projections of the spin-distribution functions are nonzero which is called the non-trivial regime. A corresponding equilibrium solution is found in Andreev [Phys. Plasmas 23, 062103 (2016)]. The contribution of the nontrivial part of the spin-distribution function appears in the dielectric permeability tensor in the additive form. It is explicitly found here. A corresponding modification in the dispersion equation for the transverse waves is derived. The contribution of the nontrivial part of the spin-distribution function in the spectrum of transverse waves is calculated numerically. It is found that the term caused by the nontrivial part of the spin-distribution function can be comparable with the classic terms for the relatively small wave vectors and frequencies above the cyclotron frequency. In a majority of regimes, the extra spin caused term dominates over the spin term found earlier, except the small frequency regime, where their contributions in the whistler spectrum are comparable. A decrease of the left-hand circularly polarized wave frequency, an increase of the high-frequency right-hand circularly polarized wave frequency, and a decrease of frequency changing by an increase of frequency at the growth of the wave vector for the whistler are found. A considerable decrease of the spin wave frequency is found either. It results in an increase of module of the negative group velocity of the spin wave. The found dispersion equations are used for obtaining of an effective quantum hydrodynamics reproducing these results. This generalization requires the introduction of the corresponding equation of state for the thermal part of the spin current in the spin evolution equation.

Theory of magnetoelastic resonance in a monoaxial chiral helimagnet

NASA Astrophysics Data System (ADS)

Tereshchenko, A. A.; Ovchinnikov, A. S.; Proskurin, Igor; Sinitsyn, E. V.; Kishine, Jun-ichiro

2018-05-01

We study magnetoelastic resonance phenomena in a monoaxial chiral helimagnet belonging to the hexagonal crystal class. By computing the spectrum of a coupled elastic wave and spin wave, it is demonstrated how hybridization occurs depending on their chirality. Specific features of the magnetoelastic resonance are discussed for the conical phase and the soliton lattice phase stabilized in the monoaxial chiral helimagnet. The former phase exhibits appreciable nonreciprocity of the spectrum, and the latter is characterized by a multiresonance behavior. We propose that the nonreciprocal spin wave around the forced-ferromagnetic state has potential capability to convert the linearly polarized elastic wave to a circularly polarized one with the chirality opposite to the spin-wave chirality.

Local NMR relaxation rates T1-1 and T2-1 depending on the d -vector symmetry in the vortex state of chiral and helical p -wave superconductors

NASA Astrophysics Data System (ADS)

Tanaka, Kenta K.; Ichioka, Masanori; Onari, Seiichiro

2018-04-01

Local NMR relaxation rates in the vortex state of chiral and helical p -wave superconductors are investigated by the quasiclassical Eilenberger theory. We calculate the spatial and resonance frequency dependences of the local NMR spin-lattice relaxation rate T1-1 and spin-spin relaxation rate T2-1. Depending on the relation between the NMR relaxation direction and the d -vector symmetry, the local T1-1 and T2-1 in the vortex core region show different behaviors. When the NMR relaxation direction is parallel to the d -vector component, the local NMR relaxation rate is anomalously suppressed by the negative coherence effect due to the spin dependence of the odd-frequency s -wave spin-triplet Cooper pairs. The difference between the local T1-1 and T2-1 in the site-selective NMR measurement is expected to be a method to examine the d -vector symmetry of candidate materials for spin-triplet superconductors.

Spin waves in rings of classical magnetic dipoles

NASA Astrophysics Data System (ADS)

Schmidt, Heinz-Jürgen; Schröder, Christian; Luban, Marshall

2017-03-01

We theoretically and numerically investigate spin waves that occur in systems of classical magnetic dipoles that are arranged at the vertices of a regular polygon and interact solely via their magnetic fields. There are certain limiting cases that can be analyzed in detail. One case is that of spin waves as infinitesimal excitations from the system’s ground state, where the dispersion relation can be determined analytically. The frequencies of these infinitesimal spin waves are compared with the peaks of the Fourier transform of the thermal expectation value of the autocorrelation function calculated by Monte Carlo simulations. In the special case of vanishing wave number an exact solution of the equations of motion is possible describing synchronized oscillations with finite amplitudes. Finally, the limiting case of a dipole chain with N\\longrightarrow ∞ is investigated and completely solved.

Light-front representation of chiral dynamics with Δ isobar and large-N c relations

DOE PAGES

Granados, C.; Weiss, C.

2016-06-13

Transverse densities describe the spatial distribution of electromagnetic current in the nucleon at fixed light-front time. At peripheral distances b = O(M π –1) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). Recent work has shown that the EFT results can be represented in first-quantized form, as overlap integrals of chiral light-front wave functions describing the transition of the nucleon to soft-pion-nucleon intermediate states, resulting in a quantum-mechanical picture of the peripheral transverse densities. We now extend this representation to include intermediate states with Δ isobars and implement relations basedmore » on the large-N c limit of QCD. We derive the wave function overlap formulas for the Δ contributions to the peripheral transverse densities by way of a three-dimensional reduction of relativistic chiral EFT expressions. Our procedure effectively maintains rotational invariance and avoids the ambiguities with higher-spin particles in the light-front time-ordered approach. We study the interplay of πN and πΔ intermediate states in the quantum-mechanical picture of the densities in a transversely polarized nucleon. We show that the correct N c-scaling of the charge and magnetization densities emerges as the result of the particular combination of currents generated by intermediate states with degenerate N and Δ. The off-shell behavior of the chiral EFT is summarized in contact terms and can be studied easily. As a result, the methods developed here can be applied to other peripheral densities and to moments of the nucleon's generalized parton distributions.« less

Excitation of propagating magnetization waves by microstrip antennas

NASA Astrophysics Data System (ADS)

Dmitriev, V. F.; Kalinikos, B. A.

1988-11-01

We discuss the self-consistent theory of excitation of dipole-exchange magnetization waves by microstrip antennas in a metal-dielectric-ferrite-dielectric-metal stratified structure, magnetized under an arbitrary angle to the surface. Spin-wave Green's functions are derived, describing the response of the spin-system to a spatially inhomogeneous varying magnetic field. The radiative resistance of microstrip antenna is calculated. In this case the distribution of surface current density in the antenna is found on the basis of the analytic solution of a singular integral equation. The nature of the effect of metallic screens and redistributed surface current densities in the antenna on the frequency dependence of the resistive radiation is investigated. Approximate relations are obtained, convenient for practical calculations of radiative resistance of microstrip antennas both in a free and in a screened ferromagnetic film. The theoretical calculations are verified by data of experiments carried out on monocrystalline films of iron-yttrium garnet.

Non-Fermi surface nesting driven commensurate magnetic ordering in Fe-doped S r 2 Ru O 4

DOE PAGES

Zhu, M.; Shanavas, K. V.; Wang, Y.; ...

2017-02-10

Sr 2RuO 4, an unconventional superconductor, is known to possess an incommensurate spin-density wave instability driven by Fermi surface nesting. Here we report a static spin-density wave ordering with a commensurate propagation vector q c = (0.250.250) in Fe-doped Sr 2RuO 4, despite the magnetic fluctuations persisting at the incommensurate wave vectors q ic = (0.30.3L) as in the parent compound. The latter feature is corroborated by the first-principles calculations, which show that Fe substitution barely changes the nesting vector of the Fermi surface. Finally, these results suggest that in addition to the known incommensurate magnetic instability, Sr 2RuO 4more » is also in proximity to a commensurate magnetic tendency that can be stabilized via Fe doping.« less

Spin susceptibility of charge-ordered YBa2Cu3Oy across the upper critical field

PubMed Central

Zhou, Rui; Hirata, Michihiro; Wu, Tao; Vinograd, Igor; Mayaffre, Hadrien; Krämer, Steffen; Reyes, Arneil P.; Kuhns, Philip L.; Liang, Ruixing; Hardy, W. N.; Bonn, D. A.; Julien, Marc-Henri

2017-01-01

The value of the upper critical field Hc2, a fundamental characteristic of the superconducting state, has been subject to strong controversy in high-Tc copper oxides. Since the issue has been tackled almost exclusively by macroscopic techniques so far, there is a clear need for local-probe measurements. Here, we use 17O NMR to measure the spin susceptibility χspin of the CuO2 planes at low temperature in charge-ordered YBa2Cu3Oy. We find that χspin increases (most likely linearly) with magnetic field H and saturates above field values ranging from 20 T to 40 T. This result is consistent with the lowest Hc2 values claimed previously and with the interpretation that the charge density wave (CDW) reduces Hc2 in underdoped YBa2Cu3Oy. Furthermore, the absence of marked deviation in χspin(H) at the onset of long-range CDW order indicates that this Hc2 reduction and the Fermi-surface reconstruction are primarily rooted in the short-range CDW order already present in zero field, not in the field-induced long-range CDW order. Above Hc2, the relatively low values of χspin at T= 2 K show that the pseudogap is a ground-state property, independent of the superconducting gap. PMID:29183974

Magnetic nano-oscillator driven by pure spin current.

PubMed

Demidov, Vladislav E; Urazhdin, Sergei; Ulrichs, Henning; Tiberkevich, Vasyl; Slavin, Andrei; Baither, Dietmar; Schmitz, Guido; Demokritov, Sergej O

2012-12-01

With the advent of pure-spin-current sources, spin-based electronic (spintronic) devices no longer require electrical charge transfer, opening new possibilities for both conducting and insulating spintronic systems. Pure spin currents have been used to suppress noise caused by thermal fluctuations in magnetic nanodevices, amplify propagating magnetization waves, and to reduce the dynamic damping in magnetic films. However, generation of coherent auto-oscillations by pure spin currents has not been achieved so far. Here we demonstrate the generation of single-mode coherent auto-oscillations in a device that combines local injection of a pure spin current with enhanced spin-wave radiation losses. Counterintuitively, radiation losses enable excitation of auto-oscillation, suppressing the nonlinear processes that prevent auto-oscillation by redistributing the energy between different modes. Our devices exhibit auto-oscillations at moderate current densities, at a microwave frequency tunable over a wide range. These findings suggest a new route for the implementation of nanoscale microwave sources for next-generation integrated electronics.

Fractional Wigner Crystal in the Helical Luttinger Liquid.

PubMed

Traverso Ziani, N; Crépin, F; Trauzettel, B

2015-11-13

The properties of the strongly interacting edge states of two dimensional topological insulators in the presence of two-particle backscattering are investigated. We find an anomalous behavior of the density-density correlation functions, which show oscillations that are neither of Friedel nor of Wigner type: they, instead, represent a Wigner crystal of fermions of fractional charge e/2, with e the electron charge. By studying the Fermi operator, we demonstrate that the state characterized by such fractional oscillations still bears the signatures of spin-momentum locking. Finally, we compare the spin-spin correlation functions and the density-density correlation functions to argue that the fractional Wigner crystal is characterized by a nontrivial spin texture.

Spin-wave stiffness in the Dzyaloshinskii-Moriya helimagnets Mn1 -xFexSi

NASA Astrophysics Data System (ADS)

Grigoriev, S. V.; Altynbaev, E. V.; Siegfried, S.-A.; Pschenichnyi, K. A.; Menzel, D.; Heinemann, A.; Chaboussant, G.

2018-01-01

The small-angle neutron scattering is used to measure the spin-wave stiffness in the field-polarized state of the Dzyaloshinskii-Moriya helimagnets Mn1 -xFexSi with x =0.03 , 0.06, 0.09, and 0.10. The Mn1 -xFexSi compounds are helically ordered below Tc and show a helical fluctuation regime above Tc in a wide range up to TDM. The critical temperatures Tc and TDM decrease with x and tend to 0 at x =0.11 and 0.17, respectively. We have found that the spin-wave stiffness A change weakly with temperature for each individual Fe-doped compound. On the other hand, the spin-wave stiffness A decreases with x duplicating the TDM dependence on x , rather than Tc(x ) . These findings classify the thermal phase transition in all Mn1 -xFexSi compounds as an abrupt change in the spin state caused, most probably, by the features of an electronic band structure. Moreover, the criticality in these compounds is not related to the value of the ferromagnetic interaction but demonstrates the remarkable role of the Dzyaloshinskii-Moriya interaction as a factor destabilizing the magnetic order.

Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi 2 Sb 2 O

DOE PAGES

Zhang, G.; Glasbrenner, J. K.; Flint, R.; ...

2017-05-01

Spin-driven nemore » maticity, or the breaking of the point-group symmetry of the lattice without long-range magnetic order, is clearly quite important in iron-based superconductors. From a symmetry point of view, nematic order can be described as a coherent locking of spin fluctuations in two interpenetrating Néel sublattices with ensuing nearest-neighbor bond order and an absence of static magnetism. In this paper, we argue that the low-temperature state of the recently discovered superconductor BaTi 2 Sb 2 O is a strong candidate for a more exotic form of spin-driven nematic order, in which fluctuations occurring in four Néel sublattices promote both nearest- and next-nearest-neighbor bond order. We develop a low-energy field theory of this state and show that it can have, as a function of temperature, up to two separate bond-order phase transitions, namely, one that breaks rotation symmetry and one that breaks reflection and translation symmetries of the lattice. The resulting state has an orthorhombic lattice distortion, an intra-unit-cell charge density wave, and no long-range magnetic order, all consistent with reported measurements of the low-temperature phase of BaTi 2 Sb 2 O . Finally, we then use density functional theory calculations to extract exchange parameters to confirm that the model is applicable to BaTi 2 Sb 2 O .« less

Double-stage nematic bond ordering above double stripe magnetism: Application to BaTi 2 Sb 2 O

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

Zhang, G.; Glasbrenner, J. K.; Flint, R.

Spin-driven nemore » maticity, or the breaking of the point-group symmetry of the lattice without long-range magnetic order, is clearly quite important in iron-based superconductors. From a symmetry point of view, nematic order can be described as a coherent locking of spin fluctuations in two interpenetrating Néel sublattices with ensuing nearest-neighbor bond order and an absence of static magnetism. In this paper, we argue that the low-temperature state of the recently discovered superconductor BaTi 2 Sb 2 O is a strong candidate for a more exotic form of spin-driven nematic order, in which fluctuations occurring in four Néel sublattices promote both nearest- and next-nearest-neighbor bond order. We develop a low-energy field theory of this state and show that it can have, as a function of temperature, up to two separate bond-order phase transitions, namely, one that breaks rotation symmetry and one that breaks reflection and translation symmetries of the lattice. The resulting state has an orthorhombic lattice distortion, an intra-unit-cell charge density wave, and no long-range magnetic order, all consistent with reported measurements of the low-temperature phase of BaTi 2 Sb 2 O . Finally, we then use density functional theory calculations to extract exchange parameters to confirm that the model is applicable to BaTi 2 Sb 2 O .« less

Magnetohydrodynamic waves with relativistic electrons and positrons in degenerate spin-1/2 astrophysical plasmas

NASA Astrophysics Data System (ADS)

Maroof, R.; Ali, S.; Mushtaq, A.; Qamar, A.

2015-11-01

Linear properties of high and low frequency waves are studied in an electron-positron-ion (e-p-i) dense plasma with spin and relativity effects. In a low frequency regime, the magnetohydrodynamic (MHD) waves, namely, the magnetoacoustic and Alfven waves are presented in a magnetized plasma, in which the inertial ions are taken as spinless and non-degenerate, whereas the electrons and positrons are treated quantum mechanically due to their smaller mass. Quantum corrections associated with the spin magnetization and density correlations for electrons and positrons are re-considered and a generalized dispersion relation for the low frequency MHD waves is derived to account for relativistic degeneracy effects. On the basis of angles of propagation, the dispersion relations of different modes are discussed analytically in a degenerate relativistic plasma. Numerical results reveal that electron and positron relativistic degeneracy effects significantly modify the dispersive properties of MHD waves. Our present analysis should be useful for understanding the collective interactions in dense astrophysical compact objects, like, the white dwarfs and in atmosphere of neutron stars.

Hydrodynamics of Turning Flocks.

PubMed

Yang, Xingbo; Marchetti, M Cristina

2015-12-18

We present a hydrodynamic model of flocking that generalizes the familiar Toner-Tu equations to incorporate turning inertia of well-polarized flocks. The continuum equations controlled by only two dimensionless parameters, orientational inertia and alignment strength, are derived by coarse-graining the inertial spin model recently proposed by Cavagna et al. The interplay between orientational inertia and bend elasticity of the flock yields anisotropic spin waves that mediate the propagation of turning information throughout the flock. The coupling between spin-current density to the local vorticity field through a nonlinear friction gives rise to a hydrodynamic mode with angular-dependent propagation speed at long wavelengths. This mode becomes unstable as a result of the growth of bend and splay deformations augmented by the spin wave, signaling the transition to complex spatiotemporal patterns of continuously turning and swirling flocks.

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

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations basedmore » on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.« less

Magnetic vortex excitation as spin torque oscillator and its unusual trajectories

NASA Astrophysics Data System (ADS)

Natarajan, Kanimozhi; Muthuraj, Ponsudana; Rajamani, Amuda; Arumugam, Brinda

2018-05-01

We report an interesting observation of unusual trajectories of vortex core oscillations in a spin valve pillar. Micromagnetic simulation in the composite free layer spin valve nano-pillar shows magnetic vortex excitation under critical current density. When current density is slightly increased and wave vector is properly tuned, for the first time we observe a star like and square gyration. Surprisingly this star like and square gyration also leads to steady, coherent and sustained oscillations. Moreover, the frequency of gyration is also very high for this unusual trajectories. The power spectral analysis reveals that there is a marked increase in output power and frequency with less distortions. Our investigation explores the possibility of these unusual trajectories to exhibit spin torque oscillations.

Nature of a single doped hole in two-leg Hubbard and t - J ladders

DOE PAGES

Liu, Shenxiu; Jiang, Hong -Chen; Devereaux, Thomas P.

2016-10-15

In this study, we have systematically studied the single-hole problem in two-leg Hubbard and t–J ladders by large-scale density-matrix renormalization-group calculations. We found that the doped holes in both models behave similarly, while the three-site correlated hopping term is not important in determining the ground-state properties. For more insights, we have also calculated the elementary excitations, i.e., the energy gaps to the excited states of the system. In the strong-rung limit, we found that the doped hole behaves as a Bloch quasiparticle in both systems where the spin and charge of the doped hole are tightly bound together. In themore » isotropic limit, while the hole still behaves like a quasiparticle in the long-wavelength limit, our results show that its spin and charge components are only loosely bound together inside the quasiparticle, whose internal structure can lead to a visible residual effect which dramatically changes the local structure of the ground-state wave function.« less

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

Liu, Shenxiu; Jiang, Hong -Chen; Devereaux, Thomas P.

In this study, we have systematically studied the single-hole problem in two-leg Hubbard and t–J ladders by large-scale density-matrix renormalization-group calculations. We found that the doped holes in both models behave similarly, while the three-site correlated hopping term is not important in determining the ground-state properties. For more insights, we have also calculated the elementary excitations, i.e., the energy gaps to the excited states of the system. In the strong-rung limit, we found that the doped hole behaves as a Bloch quasiparticle in both systems where the spin and charge of the doped hole are tightly bound together. In themore » isotropic limit, while the hole still behaves like a quasiparticle in the long-wavelength limit, our results show that its spin and charge components are only loosely bound together inside the quasiparticle, whose internal structure can lead to a visible residual effect which dramatically changes the local structure of the ground-state wave function.« less

Quasiclassical analysis of vortex lattice states in Rashba noncentrosymmetric superconductors

NASA Astrophysics Data System (ADS)

Dan, Yuichiro; Ikeda, Ryusuke

2015-10-01

Vortex lattice states occurring in noncentrosymmetric superconductors with a spin-orbit coupling of Rashba type under a magnetic field parallel to the symmetry plane are examined by assuming the s -wave pairing case and in an approach combining the quasiclassical theory with the Landau level expansion of the superconducting order parameter. The resulting field-temperature phase diagrams include not only a discontinuous transition but a continuous crossover between different vortex lattice structures, and, further, a critical end point of a structural transition line is found at an intermediate field and a low temperature in the present approach. It is pointed out that the strange field dependence of the vortex lattice structure is a consequence of that of its anisotropy stemming from the Rashba spin-orbit coupling, and that the critical end point is related to the helical phase modulation peculiar to these materials in the ideal Pauli-limited case. Furthermore, calculation results on the local density of states detectable in STM experiments are also presented.

Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

NASA Astrophysics Data System (ADS)

Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

2017-08-01

Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

Localized end states in density modulated quantum wires and rings.

PubMed

Gangadharaiah, Suhas; Trifunovic, Luka; Loss, Daniel

2012-03-30

We study finite quantum wires and rings in the presence of a charge-density wave gap induced by a periodic modulation of the chemical potential. We show that the Tamm-Shockley bound states emerging at the ends of the wire are stable against weak disorder and interactions, for discrete open chains and for continuum systems. The low-energy physics can be mapped onto the Jackiw-Rebbi equations describing massive Dirac fermions and bound end states. We treat interactions via the continuum model and show that they increase the charge gap and further localize the end states. The electrons placed in the two localized states on the opposite ends of the wire can interact via exchange interactions and this setup can be used as a double quantum dot hosting spin qubits. The existence of these states could be experimentally detected through the presence of an unusual 4π Aharonov-Bohm periodicity in the spectrum and persistent current as a function of the external flux.

Subgap in the Surface Bound States Spectrum of Superfluid (3) 3 He-B with Rough Surface

NASA Astrophysics Data System (ADS)

Nagato, Y.; Higashitani, S.; Nagai, K.

2018-03-01

The subgap structure in the surface bound states spectrum of superfluid ^3He-B with rough surface is discussed. The subgap is formed by the level repulsion between the surface bound state and the continuum states in the course of multiple scattering by the surface roughness. We show that the level repulsion is originated from the nature of the wave function of the surface bound state that is now recognized as Majorana fermion. We study the superfluid ^3He-B with a rough surface and in a magnetic field perpendicular to the surface using the quasi-classical Green function together with a random S-matrix model. We calculate the self-consistent order parameters, the spin polarization density and the surface density of states. It is shown that the subgap is found also in a magnetic field perpendicular to the surface. The magnetic field dependence of the transverse acoustic impedance is also discussed.

Spin configurations on a decorated square lattice

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

Mert, Gülistan; Mert, H. Şevki

Spin configurations on a decorated square lattice are investigated using Bertaut’s microscopic method. We have obtained collinear and non-collinear (canted) modes for the given wave vectors in the ground state. We have found ferromagnetic and antiferromagnetic commensurate spin configurations. We have found canted incommensurate spin configurations.

Spin-isotropic continuum of spin excitations in antiferromagnetically ordered Fe1.07Te

NASA Astrophysics Data System (ADS)

Song, Yu; Lu, Xingye; Regnault, L.-P.; Su, Yixi; Lai, Hsin-Hua; Hu, Wen-Jun; Si, Qimiao; Dai, Pengcheng

2018-02-01

Unconventional superconductivity typically emerges in the presence of quasidegenerate ground states, and the associated intense fluctuations are likely responsible for generating the superconducting state. Here we use polarized neutron scattering to study the spin space anisotropy of spin excitations in Fe1.07Te exhibiting bicollinear antiferromagnetic (AF) order, the parent compound of FeTe1 -xSex superconductors. We confirm that the low-energy spin excitations are transverse spin waves, consistent with a local-moment origin of the bicollinear AF order. While the ordered moments lie in the a b plane in Fe1.07Te , it takes less energy for them to fluctuate out of plane, similar to BaFe2As2 and NaFeAs. At energies above E ≳20 meV, we find magnetic scattering to be dominated by an isotropic continuum that persists up to at least 50 meV. Although the isotropic spin excitations cannot be ascribed to spin waves from a long-range-ordered local-moment antiferromagnet, the continuum can result from the bicollinear magnetic order ground state of Fe1.07Te being quasidegenerate with plaquette magnetic order.

Theory of nodal s ±-wave pairing symmetry in the Pu-based 115 superconductor family

DOE PAGES

Das, Tanmoy; Zhu, Jian -Xin; Graf, Matthias J.

2015-02-27

The spin-fluctuation mechanism of superconductivity usually results in the presence of gapless or nodal quasiparticle states in the excitation spectrum. Nodal quasiparticle states are well established in copper-oxide, and heavy-fermion superconductors, but not in iron-based superconductors. Here, we study the pairing symmetry and mechanism of a new class of plutonium-based high-T c superconductors and predict the presence of a nodal s⁺⁻ wave pairing symmetry in this family. Starting from a density-functional theory (DFT) based electronic structure calculation we predict several three-dimensional (3D) Fermi surfaces in this 115 superconductor family. We identify the dominant Fermi surface “hot-spots” in the inter-band scatteringmore » channel, which are aligned along the wavevector Q = (π, π, π), where degeneracy could induce sign-reversal of the pairing symmetry. Our calculation demonstrates that the s⁺⁻ wave pairing strength is stronger than the previously thought d-wave pairing; and more importantly, this pairing state allows for the existence of nodal quasiparticles. Finally, we predict the shape of the momentum- and energy-dependent magnetic resonance spectrum for the identification of this pairing symmetry.« less

Signatures of pair-density wave order via measurement of the current-phase relation in La2-xBaxCuO4 Josephson junctions

NASA Astrophysics Data System (ADS)

Hamilton, David; Weis, Adam; Gu, Genda; van Harlingen, Dale

La2-xBaxCuO4 (LBCO) exhibits a sharp drop in the transition temperature near x = 1 / 8 doping. In this regime, charge, spin and superconducting orders are intertwined and superconductivity is believed to exist in a pair-density wave (PDW) state, an ordered stripe phase characterized by sign changes in the superconducting order parameter between adjacent stripes. We present direct measurements of the current-phase relation (CPR) of Josephson junctions patterned onto crystals of LBCO at x = 1 / 8 and x = 0 . 155 (optimal doping) using a phase-sensitive Josephson interferometry technique. In contrast to the approximately sinusoidal CPR observed at optimal doping, we find the proportion of higher harmonics in the CPR increases at x = 1 / 8 doping, consistent with the formation of a PDW state. In parallel, we are carrying out measurements of the resistance noise in thin films of LBCO of various doping levels to identify features that signify the onset of charge order and changes in the dynamics of charge stripes.

Probing the antiferromagnetic long-range order with Glauber spin states

NASA Technical Reports Server (NTRS)

Cabrera, Guillermo G.

1994-01-01

It is well known that the ground state of low-dimensional antiferromagnets deviates from Neel states due to strong quantum fluctuations. Even in the presence of long-range order, those fluctuations produce a substantial reduction of the magnetic moment from its saturation value. Numerical simulations in anisotropic antiferromagnetic chains suggest that quantum fluctuations over Neel order appear in the form of localized reversal of pairs of neighboring spins. In this paper, we propose a coherent state representation for the ground state to describe the above situation. In the one-dimensional case, our wave function corresponds to a two-mode Glauber state, when the Neel state is used as a reference, while the boson fields are associated to coherent flip of spin pairs. The coherence manifests itself through the antiferromagnetic long-range order that survives the action of quantum fluctuations. The present representation is different from the standard zero-point spin wave state, and is asymptotically exact in the limit of strong anisotropy. The fermionic version of the theory, obtained through the Jordan-Wigner transformation, is also investigated.

Coherent structural trapping through wave packet dispersion during photoinduced spin state switching

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

Lemke, Henrik T.; Kjær, Kasper S.; Hartsock, Robert

The description of ultrafast nonadiabatic chemical dynamics during molecular photo-transformations remains challenging because electronic and nuclear configurations impact each other and cannot be treated independently. Here we gain experimental insights, beyond the Born–Oppenheimer approximation, into the light-induced spin-state trapping dynamics of the prototypical [Fe(bpy)3]2+ compound by time-resolved X-ray absorption spectroscopy at sub-30-femtosecond resolution and high signal-to-noise ratio. The electronic decay from the initial optically excited electronic state towards the high spin state is distinguished from the structural trapping dynamics, which launches a coherent oscillating wave packet (265 fs period), clearly identified as molecular breathing. Throughout the structural trapping, the dispersionmore » of the wave packet along the reaction coordinate reveals details of intramolecular vibronic coupling before a slower vibrational energy dissipation to the solution environment. These findings illustrate how modern time-resolved X-ray absorption spectroscopy can provide key information to unravel dynamic details of photo-functional molecules.« less

Coherent structural trapping through wave packet dispersion during photoinduced spin state switching

DOE PAGES

Lemke, Henrik T.; Kjær, Kasper S.; Hartsock, Robert; ...

2017-05-24

The description of ultrafast nonadiabatic chemical dynamics during molecular photo-transformations remains challenging because electronic and nuclear configurations impact each other and cannot be treated independently. Here we gain experimental insights, beyond the Born–Oppenheimer approximation, into the light-induced spin-state trapping dynamics of the prototypical [Fe(bpy)3]2+ compound by time-resolved X-ray absorption spectroscopy at sub-30-femtosecond resolution and high signal-to-noise ratio. The electronic decay from the initial optically excited electronic state towards the high spin state is distinguished from the structural trapping dynamics, which launches a coherent oscillating wave packet (265 fs period), clearly identified as molecular breathing. Throughout the structural trapping, the dispersionmore » of the wave packet along the reaction coordinate reveals details of intramolecular vibronic coupling before a slower vibrational energy dissipation to the solution environment. These findings illustrate how modern time-resolved X-ray absorption spectroscopy can provide key information to unravel dynamic details of photo-functional molecules.« less

Coherent structural trapping through wave packet dispersion during photoinduced spin state switching

NASA Astrophysics Data System (ADS)

Lemke, Henrik T.; Kjær, Kasper S.; Hartsock, Robert; van Driel, Tim B.; Chollet, Matthieu; Glownia, James M.; Song, Sanghoon; Zhu, Diling; Pace, Elisabetta; Matar, Samir F.; Nielsen, Martin M.; Benfatto, Maurizio; Gaffney, Kelly J.; Collet, Eric; Cammarata, Marco

2017-05-01

The description of ultrafast nonadiabatic chemical dynamics during molecular photo-transformations remains challenging because electronic and nuclear configurations impact each other and cannot be treated independently. Here we gain experimental insights, beyond the Born-Oppenheimer approximation, into the light-induced spin-state trapping dynamics of the prototypical [Fe(bpy)3]2+ compound by time-resolved X-ray absorption spectroscopy at sub-30-femtosecond resolution and high signal-to-noise ratio. The electronic decay from the initial optically excited electronic state towards the high spin state is distinguished from the structural trapping dynamics, which launches a coherent oscillating wave packet (265 fs period), clearly identified as molecular breathing. Throughout the structural trapping, the dispersion of the wave packet along the reaction coordinate reveals details of intramolecular vibronic coupling before a slower vibrational energy dissipation to the solution environment. These findings illustrate how modern time-resolved X-ray absorption spectroscopy can provide key information to unravel dynamic details of photo-functional molecules.

Partial wave analysis of the reaction γ p → p ω and the search for nucleon resonances

DOE PAGES

Williams, M.; Applegate, D.; Bellis, M.; ...

2009-12-30

We performed an event-based partial wave analysis (PWA) of the reaction γ p -> p ω on a high-statistics dataset obtained using the CLAS at Jefferson Lab for center-of-mass energies from threshold up to 2.4 GeV. This analysis benefits from access to the world's first high precision spin density matrix element measurements, available to the event-based PWA through the decay distribution of omega-> π + π - π 0. The data confirm the dominance of the t-channel π 0 exchange amplitude in the forward direction. The dominant resonance contributions are consistent with the previously identified states F[15](1680) and D[13](1700)more » near threshold, as well as the G[17](2190) at higher energies. Suggestive evidence for the presence of a J(P)=5/2 + state around 2 GeV, a "missing" state, has also been found. Evidence for other states is inconclusive.« less

Pressure induced superconductivity in very lightly doped LaFeAsO0.975F0.025

NASA Astrophysics Data System (ADS)

Miyoshi, K.; Otsuka, K.; Shiota, A.; Shimojo, Y.; Motoyama, G.; Fujiwara, K.; Kitagawa, H.; Nishigori, S.

2018-05-01

We have investigated whether or not superconductivity is induced by the application of pressure in very lightly F-doped LaFeAsO1-xFx , which shows spin density wave (SDW) state at ambient pressure, through the measurements of DC magnetization and electrical resistivity under pressure using pulse current sintered (PCS) high density polycrystalline specimens. It has been confirmed that the specimens with x = 0.025 shows superconductivity with Tcdia ∼ 15 K under pressure above ∼ 1.3 GPa. The pressure induced superconductivity can be explained by the lattice compression along c-axis, which enhances the electron doping from LaO layers to FeAs layers.

Modulation of spin dynamics via voltage control of spin-lattice coupling in multiferroics

DOE PAGES

Zhu, Mingmin; Zhou, Ziyao; Peng, Bin; ...

2017-02-03

Our work aims at magnonics manipulation by the magnetoelectric coupling effect and is motivated by the most recent progresses in both magnonics (spin dynamics) and multiferroics fields. Here, voltage control of magnonics, particularly the surface spin waves, is achieved in La 0.7Sr 0.3MnO 3/0.7Pb(Mg 1/3Nb 2/3)O 3-0.3PbTiO 3 multiferroic heterostructures. With the electron spin resonance method, a large 135 Oe shift of surface spin wave resonance (≈7 times greater than conventional voltage-induced ferromagnetic resonance shift of 20 Oe) is determined. A model of the spin-lattice coupling effect, i.e., varying exchange stiffness due to voltage-induced anisotropic lattice changes, has been establishedmore » to explain experiment results with good agreement. In addition, an “on” and “off” spin wave state switch near the critical angle upon applying a voltage is created. The modulation of spin dynamics by spin-lattice coupling effect provides a platform for realizing energy-efficient, tunable magnonics devices.« less

Spin correlations and spin-wave excitations in Dirac-Weyl semimetals

NASA Astrophysics Data System (ADS)

Araki, Yasufumi; Nomura, Kentaro

We study correlations among magnetic dopants in three-dimensional Dirac and Weyl semimetals. Effective field theory for localized magnetic moments is derived by integrating out the itinerant electron degrees of freedom. We find that spin correlation in the spatial direction parallel to local magnetization is more rigid than that in the perpendicular direction, reflecting spin-momentum locking nature of the Dirac Hamiltonian. Such an anisotropy becomes stronger for Fermi level close to the Dirac points, due to Van Vleck paramagnetism triggered by spin-orbit coupling. One can expect topologically nontrivial spin textures under this anisotropy, such as a hedgehog around a single point, or a radial vortex around an axis, as well as a uniform ferromagnetic order. We further investigate the characteristics of spin waves in the ferromagnetic state. Spin-wave dispersion also shows a spatial anisotropy, which is less dispersed in the direction transverse to the magnetization than that in the longitudinal direction. The spin-wave dispersion anisotropy can be traced back to the rigidity and flexibility of spin correlations discussed above. This work was supported by Grant-in-Aid for Scientific Research (Grants No.15H05854, No.26107505, and No.26400308) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan.

Bias-free spin-wave phase shifter for magnonic logic

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

Louis, Steven; Tyberkevych, Vasyl; Slavin, Andrei

2016-06-15

A design of a magnonic phase shifter operating without an external bias magnetic field is proposed. The phase shifter uses a localized collective spin wave mode propagating along a domain wall “waveguide” in a dipolarly-coupled magnetic dot array with a chessboard antiferromagnetic (CAFM) ground state. It is demonstrated numerically that the remagnetization of a single magnetic dot adjacent to the domain wall waveguide introduces a controllable phase shift in the propagating spin wave mode without significant change to the mode amplitude. It is also demonstrated that a logic XOR gate can be realized in the same system.

Self-consistent electronic structure of disordered Fe/sub 0. 65/Ni/sub 0. 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1985-04-15

We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the verymore » structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.« less

Self-consistent electronic structure of disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1984-01-01

We present the results of the first ab-initio calculation of the electronic structure of a disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/ alloy. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin-polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko-Wilk-Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder; whereas, the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared tomore » the very structured majority spin density of states. This difference is due to a subtle balance between exchange-splitting and charge neutrality. 15 references, 2 figures.« less

Scanning tunnelling spectroscopy as a probe of multi-Q magnetic states of itinerant magnets

DOE PAGES

Gastiasoro, Maria N.; Eremin, Ilya; Fernandes, Rafael M.; ...

2017-02-08

The combination of electronic correlations and Fermi surfaces with multiple nesting vectors can lead to the appearance of complex multi-Q magnetic ground states, hosting unusual states such as chiral density waves and quantum Hall insulators. Distinguishing single-Q and multi-Q magnetic phases is however a notoriously difficult experimental problem. Here we propose theoretically that the local density of states (LDOS) near a magnetic impurity, whose orientation may be controlled by an external magnetic field, can be used to map out the detailed magnetic configuration of an itinerant system and distinguish unambiguously between single-Q and multi-Q phases. We demonstrate this concept bymore » computing and contrasting the LDOS near a magnetic impurity embedded in three different magnetic ground states relevant to iron-based superconductors—one single-Q and two double-Q phases. Our results open a promising avenue to investigate the complex magnetic configurations in itinerant systems via standard scanning tunnelling spectroscopy, without requiring spin-resolved capability.« less

Delocalization of charge and current in a chiral quasiparticle wave packet

NASA Astrophysics Data System (ADS)

Sarkar, Subhajit

2018-03-01

A chiral quasiparticle wave packet (c-QPWP) is defined as a conventional superposition of chiral quasiparticle states corresponding to an interacting electron system in two dimensions (2D) in the presence of Rashba spin-orbit coupling (RSOC). I investigate its internal structure via studying the charge and the current densities within the first-order perturbation in the electron-electron interaction. It is found that the c-QPWP contains a localized charge which is less than the magnitude of the bare charge and the remaining charge resides at the system boundary. The amount of charge delocalized turns out to be inversely proportional to the degenerate Fermi velocity v0(=√{α2+2 μ /m }) when RSOC (with strength α ) is weak, and therefore externally tunable. For strong RSOC, the magnitudes of both the delocalized charge and the current further strongly depend on the direction of propagation of the wave packet. Both the charge and the current densities consist of an anisotropic r-2 tail away from the center of the wave packet. Possible implications of such delocalizations in real systems corresponding to 2D semiconductor heterostructure are also discussed within the context of particle injection experiments.

Time-resolved nonlinear optics in strongly correlated insulators

NASA Astrophysics Data System (ADS)

Dodge, J. Steven

2000-03-01

Transition metal oxides form the basis for much of our understanding of Mott insulators, and have enjoyed a renaissance of interest since the discovery of high temperature superconductivity in the cuprates. They are characterized by complex interactions among spin, lattice, orbital and charge degrees of freedom, which lead to dynamical behavior on time scales ranging from femtoseconds to microseconds. We have applied time resolved nonlinear optical spectroscopy to probe these dynamics. In one well-studied antiferromagnetic insulator, Cr_2O_3, we observed spin-wave dynamics on a picosecond time scale by performing pump-probe spectroscopy of the exciton-magnon transition(J. S. Dodge, et al.), Phys. Rev. Lett. 83, 4650 (1999).. At excitation densities ~ 10-3/Cr, a lineshape associated with the exciton-magnon absorption appears in the pump-probe spectrum. We assign this nonlinearity to a time-dependent renormalization of the magnon band structure, which in turn modifies the lineshape of the exciton-magnon transition. At long time delays, this assignment agrees semiquantitatively with calculations based on spin-wave theory. However, the initial population at the zone-boundary induces surprisingly little renormalization effect, indicating that spin-wave theory is insufficient to describe our observations in this regime. The renormalization lineshape grows on a time scale of ~ 50 ps, which we associate with the decay of the photoexcited, nonequilibrium population of zone-boundary spin-waves into a thermalized population of zone-center spin-waves. We have also performed a study of the linear and nonlinear optical properties of Sr_2CuO_2Cl_2, an insulating, two-dimensional cuprate. In the nonlinear optical experiments, we have performed pump-probe spectroscopy over a 1 eV spectral range, varying both the pump and the probe energy. We observe a pump-probe lineshape which varies considerably as a function of pump energy and temperature, and which differs sharply from those typically observed in band insulators. At low-temperatures, in particular, we observe an overall increase of spectral weight in our probe range, indicating that states are shifting over an energy scale larger than 1 eV. We attribute this behavior to the strongly correlated nature of the electronic structure in this material. Studies of the elementary excitations in other magnetic oxides, currently in progress, will be discussed.

Helical Majorana fermions in d+id'-wave topological superconductivity of doped correlated quantum spin Hall insulators

NASA Astrophysics Data System (ADS)

Chung, Chung-Hou; Sun, Shih-Jye; Chang, Yung-Yeh; Tsai, Wei-Feng; Zhang, Fuchun

Large Hubbard U limit of the Kane-Mele model on a zigzag ribbon of honeycomb lattice near half-filling is studied via a renormalized mean-field theory. The ground state exhibits time-reversal symmetry (TRS) breaking dx2 -y2 + idxy -wave superconductivity. At large spin-orbit coupling, the Z2 topological phase with non-trivial spin Chern number in the pure Kane-Mele model is persistent into the TRS broken state (called ``spin-Chern phase''), and has two pairs of counter-propagating helical Majorana modes at the edges. As the spin-orbit coupling is reduced, the system undergoes a topological quantum phase transition from the spin-Chern to chiral superconducting states. Possible relevance of our results to adatom-doped graphene and irridate compounds is discussed.Ref.:Shih-Jye Sun, Chung-Hou Chung, Yung-Yeh Chang, Wei-Feng Tsai, and Fu-Chun Zhang, arXiv:1506.02584. CHC acknowledges support from NSC Grant No. 98-2918-I-009-06, No. 98-2112-M-009-010-MY3, the NCTU-CTS, the MOE-ATU program, the NCTS of Taiwan, R.O.C.

Excitations of breathers and rogue wave in the Heisenberg spin chain

NASA Astrophysics Data System (ADS)

Qi, Jian-Wen; Duan, Liang; Yang, Zhan-Ying; Yang, Wen-Li

2018-01-01

We study the excitations of breathers and rogue wave in a classical Heisenberg spin chain with twist interaction, which is governed by a fourth-order integrable nonlinear Schrödinger equation. The dynamics of these waves have been extracted from an exact solution. In particular, the corresponding existence conditions based on the parameters of perturbation wave number K, magnon number N, background wave vector ks and amplitude c are presented explicitly. Furthermore, the characteristics of magnetic moment distribution corresponding to these nonlinear waves are also investigated in detail. Finally, we discussed the state transition of three types nonlinear localized waves under the different excitation conditions.

Quantum critical point revisited by dynamical mean-field theory

NASA Astrophysics Data System (ADS)

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

2017-03-01

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

Resonant spin wave excitations in a magnonic crystal cavity

NASA Astrophysics Data System (ADS)

Kumar, N.; Prabhakar, A.

2018-03-01

Spin polarized electric current, injected into permalloy (Py) through a nano contact, exerts a torque on the magnetization. The spin waves (SWs) thus excited propagate radially outward. We propose an antidot magnonic crystal (MC) with a three-hole defect (L3) around the nano contact, designed so that the frequency of the excited SWs, lies in the band gap of the MC. L3 thus acts as a resonant SW cavity. The energy in this magnonic crystal cavity can be tapped by an adjacent MC waveguide (MCW). An analysis of the simulated micromagnetic power spectrum, at the output port of the MCW reveals stable SW oscillations. The quality factor of the device, calculated using the decay method, was estimated as Q > 105 for an injected spin current density of 7 ×1012 A/m2.

Quantum critical point revisited by dynamical mean-field theory

DOE PAGES

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

2017-03-31

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations basedmore » on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.« less

Phase separation and long-wavelength charge instabilities in spin-orbit coupled systems

NASA Astrophysics Data System (ADS)

Seibold, G.; Bucheli, D.; Caprara, S.; Grilli, M.

2015-01-01

We investigate a two-dimensional electron model with Rashba spin-orbit interaction where the coupling constant g=g(n) depends on the electronic density. It is shown that this dependence may drive the system unstable towards a long-wavelength charge density wave (CDW) where the associated second-order instability occurs in close vicinity to global phase separation. For very low electron densities the CDW instability is nesting-induced and the modulation follows the Fermi momentum kF. At higher density the instability criterion becomes independent of kF and the system may become unstable in a broad momentum range. Finally, upon filling the upper spin-orbit split band, finite momentum instabilities disappear in favor of phase separation alone. We discuss our results with regard to the inhomogeneous phases observed at the LaAlO3/SrTiO3 or LaTiO3/SrTiO3 interfaces.

Experimental demonstration of anomalous Floquet topological insulator for sound

NASA Astrophysics Data System (ADS)

Peng, Yu-Gui; Qin, Cheng-Zhi; Zhao, De-Gang; Shen, Ya-Xi; Xu, Xiang-Yuan; Bao, Ming; Jia, Han; Zhu, Xue-Feng

2016-11-01

Time-reversal invariant topological insulator is widely recognized as one of the fundamental discoveries in condensed matter physics, for which the most fascinating hallmark is perhaps a spin-based topological protection, the absence of scattering of conduction electrons with certain spins on matter surface. Recently, it has created a paradigm shift for topological insulators, from electronics to photonics, phononics and mechanics as well, bringing about not only involved new physics but also potential applications in robust wave transport. Despite the growing interests in topologically protected acoustic wave transport, T-invariant acoustic topological insulator has not yet been achieved. Here we report experimental demonstration of anomalous Floquet topological insulator for sound: a strongly coupled metamaterial ring lattice that supports one-way propagation of pseudo-spin-dependent edge states under T-symmetry. We also demonstrate the formation of pseudo-spin-dependent interface states due to lattice dislocations and investigate the properties of pass band and band gap states.

Experimental demonstration of anomalous Floquet topological insulator for sound

PubMed Central

Peng, Yu-Gui; Qin, Cheng-Zhi; Zhao, De-Gang; Shen, Ya-Xi; Xu, Xiang-Yuan; Bao, Ming; Jia, Han; Zhu, Xue-Feng

2016-01-01

Time-reversal invariant topological insulator is widely recognized as one of the fundamental discoveries in condensed matter physics, for which the most fascinating hallmark is perhaps a spin-based topological protection, the absence of scattering of conduction electrons with certain spins on matter surface. Recently, it has created a paradigm shift for topological insulators, from electronics to photonics, phononics and mechanics as well, bringing about not only involved new physics but also potential applications in robust wave transport. Despite the growing interests in topologically protected acoustic wave transport, T-invariant acoustic topological insulator has not yet been achieved. Here we report experimental demonstration of anomalous Floquet topological insulator for sound: a strongly coupled metamaterial ring lattice that supports one-way propagation of pseudo-spin-dependent edge states under T-symmetry. We also demonstrate the formation of pseudo-spin-dependent interface states due to lattice dislocations and investigate the properties of pass band and band gap states. PMID:27834375

The structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni)

NASA Astrophysics Data System (ADS)

Erkisi, A.; Surucu, G.; Deligoz, E.

2018-03-01

In this study, the structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni) are investigated. The systems are treated in ferromagnetic order. The calculations are carried out in the framework of density functional theory (DFT) within the plane-wave pseudopotential method. The exchange-correlation potential is approximated by generalized-gradient spin approach (GGA). The intra-atomic Coulomb repulsion is also taken into account in calculations (GGA + U). We have considered two generalized-gradient spin approximation functionals, which are Perdew-Burke-Ernzerhof (PBE) and PBE for solids (PBEsol) for structural parameter calculations when it included Hubbard potential. Although the spin-polarized electronic band structures of PbCo1/2Nb1/2O3 and PbNi1/2Nb1/2O3 systems exhibit metallic property in ferromagnetic phase, a bandgap is observed in spin-down states of PbFe1/2Nb1/2O3 resulting in half-metallic behavior. The main reason for this behavior is attributed to the hybridization between d-states of transition metal atoms and p-states of oxygen atoms. The stability mechanically and the calculated mechanical properties by using elastic constants show that these compounds are mechanically stable in tetragonal phase and have anisotropic character mechanically.

Stern-Gerlach dynamics with quantum propagators

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

Hsu, Bailey C.; Berrondo, Manuel; Van Huele, Jean-Francois S.

2011-01-15

We study the quantum dynamics of a nonrelativistic neutral particle with spin in inhomogeneous external magnetic fields. We first consider fields with one-dimensional inhomogeneities, both unphysical and physical, and construct the corresponding analytic propagators. We then consider fields with two-dimensional inhomogeneities and develop an appropriate numerical propagation method. We propagate initial states exhibiting different degrees of space localization and various initial spin configurations, including both pure and mixed spin states. We study the evolution of their spin densities and identify characteristic features of spin density dynamics, such as the spatial separation of spin components, and spin localization or accumulation. Wemore » compare our approach and our results with the coverage of the Stern-Gerlach effect in the literature, and we focus on nonstandard Stern-Gerlach outcomes, such as radial separation, spin focusing, spin oscillation, and spin flipping.« less

Spin polarization properties of benzene/graphene with transition metals as dopants: First principles calculations

NASA Astrophysics Data System (ADS)

Yuan, X. B.; Tian, Y. L.; Zhao, X. W.; Yue, W. W.; Hu, G. C.; Ren, J. F.

2018-05-01

First principles calculations are used to study the spin polarization properties of benzene molecule adsorbed on the graphene surface which doped with transition metals including Mn, Cr, Fe, Co, and Ni. The densities of states (DOS) of the benzene molecule can be induced to be spin split at the Fermi level only when it is adsorbed on Mn-, and Cr-doped graphene. The p-orbital of the benzene molecule will interact with the d orbital of the doped atoms, which will generate new spin coupling states and lead to obvious spin polarization of the benzene molecule. The spin-polarized density distributions as well as the differential charge density distributions of the systems also suggest that Mn-doped graphene will induce bigger spin polarization than that of Cr-doped graphene. Benzene molecule could be spin-polarized when it is adsorbed on the graphene surface with transition metal dopants, which could be a new method for researching graphene-based organic spintronic devices.

Universal relations for spin-orbit-coupled Fermi gas near an s -wave resonance

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Sun, Ning

2018-04-01

Synthetic spin-orbit-coupled quantum gases have been widely studied both experimentally and theoretically in the past decade. As shown in previous studies, this modification of single-body dispersion will in general couple different partial waves of the two-body scattering and thus distort the wave function of few-body bound states which determines the short-distance behavior of many-body wave function. In this work, we focus on the two-component Fermi gas with one-dimensional or three-dimensional spin-orbit coupling (SOC) near an s -wave resonance. Using the method of effective field theory and the operator product expansion, we derive universal relations for both systems, including the adiabatic theorem, viral theorem, and pressure relation, and obtain the momentum distribution matrix 〈ψa†(q ) ψb(q ) 〉 at large q (a ,b are spin indices). The momentum distribution matrix shows both spin-dependent and spatial anisotropic features. And the large momentum tail is modified at the subleading order thanks to the SOC. We also discuss the experimental implication of these results depending on the realization of the SOC.

Unconventional Electron Pairing and Topological Superconductivity in Proximitized HgTe Quantum Wells

NASA Astrophysics Data System (ADS)

Ren, Hechen; Hart, Sean; Kosowsky, Michael; Ben-Shach, Gilad; Leubner, Philipp; Brüne, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; Halperin, Bertrand; Yacoby, Amir

Coupling s-wave superconductors to systems with exotic Fermi surface spin textures has been recently proposed as a way to manipulate the nature of the paired state, in some cases even leading to a topological phase transition. Recently, we studied the behavior of Fraunhofer interference in HgTe quantum well-based Josephson junctions, in the presence of a magnetic field applied in the plane of the quantum well. Here we theoretically analyze our system and compare the predicted behavior to our experimental results. We find that the in-plane magnetic field tunes the momentum of Cooper pairs in the quantum well, directly reflecting the response of the spin-dependent Fermi surfaces. This momentum tuning depends crucially on the type of spin-orbit coupling in the system. In the high electron density regime, the induced superconductivity evolves with electron density in agreement with our model based on the Hamiltonian of Bernevig, Hughes and Zhang. This agreement provides a quantitative value for g/vF, where g is the effective g-factor and vF is the Fermi velocity. Our new understanding of the interplay between spin physics and superconductivity introduces a way to spatially engineer the order parameter from singlet to triplet pairing, and in general allows investigation of electronic spin texture at the Fermi surface of materials. NSF DMR-1206016; STC Center for Integrated Quantum Materials under NSF Grant No. DMR-1231319; NSF GRFP under Grant DGE1144152, Microsoft Corporation Project Q.

The response of plasma density to breaking inertial gravity wave in the lower regions of ionosphere

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

Tang, Wenbo, E-mail: Wenbo.Tang@asu.edu; Mahalov, Alex, E-mail: Alex.Mahalov@asu.edu

2014-04-15

We present a three-dimensional numerical study for the E and lower F region ionosphere coupled with the neutral atmosphere dynamics. This model is developed based on a previous ionospheric model that examines the transport patterns of plasma density given a prescribed neutral atmospheric flow. Inclusion of neutral dynamics in the model allows us to examine the charge-neutral interactions over the full evolution cycle of an inertial gravity wave when the background flow spins up from rest, saturates and eventually breaks. Using Lagrangian analyses, we show the mixing patterns of the ionospheric responses and the formation of ionospheric layers. The correspondingmore » plasma density in this flow develops complex wave structures and small-scale patches during the gravity wave breaking event.« less

First-principles study of the giant magnetic anisotropy energy in bulk Na4IrO4

NASA Astrophysics Data System (ADS)

Wang, Di; Tang, Feng; Du, Yongping; Wan, Xiangang

2017-11-01

In 5 d transition-metal oxides, novel properties arise from the interplay of electron correlations and spin-orbit interactions. Na4IrO4 , where the 5 d transition-metal Ir atom occupies the center of the square-planar coordination environment, has attracted research interest. Based on density functional theory, we present a comprehensive investigation of electronic and magnetic properties of Na4IrO4 . We propose the magnetic ground-state configuration, and find that the magnetic easy axis is perpendicular to the IrO4 plane. The magnetic anisotropy energy (MAE) of Na4IrO4 is found to be giant. We estimate the magnetic parameters in the generalized symmetry-allowed spin model, and find that the next-nearest-neighbor exchange interaction J2 is much larger than other intersite exchange interactions and results in the magnetic ground-state configuration. The numerical results reveal that the anisotropy of interatomic spin-exchange interaction is quite small and the huge MAE comes from the single-ion anisotropy. This compound has a large spin gap but very narrow spin-wave dispersion, due to the large single-ion anisotropy and quite small intersite exchange couplings. We clarify that these remarkable magnetic features are originated from its highly isolated and low-symmetry IrO4 moiety. We also explore the possibility to further enhance the MAE.

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

NASA Astrophysics Data System (ADS)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Persistence of the gapless spin liquid in the breathing kagome Heisenberg antiferromagnet

NASA Astrophysics Data System (ADS)

Iqbal, Yasir; Poilblanc, Didier; Thomale, Ronny; Becca, Federico

2018-03-01

The nature of the ground state of the spin S =1 /2 Heisenberg antiferromagnet on the kagome lattice with breathing anisotropy (i.e., with different superexchange couplings J▵ and J▿ within elementary up- and down-pointing triangles) is investigated within the framework of Gutzwiller projected fermionic wave functions and Monte Carlo methods. We analyze the stability of the U(1 ) Dirac spin liquid with respect to the presence of fermionic pairing that leads to a gapped Z2 spin liquid. For several values of the ratio J▿/J▵ , the size scaling of the energy gain due to the pairing fields and the variational parameters are reported. Our results show that the energy gain of the gapped spin liquid with respect to the gapless state either vanishes for large enough system size or scales to zero in the thermodynamic limit. Similarly, the optimized pairing amplitudes (responsible for opening the spin gap) are shown to vanish in the thermodynamic limit. Our outcome is corroborated by the application of one and two Lanczos steps to the gapless and gapped wave functions, for which no energy gain of the gapped state is detected when improving the quality of the variational states. Finally, we discuss the competition with the "simplex" Z2 resonating-valence-bond spin liquid, valence-bond crystal, and nematic states in the strongly anisotropic regime, i.e., J▿≪J▵ .

^17O NMR Study of Sr_2CuO_2Cl_2, a Single-Layer Parent Compound of a High Tc Superconductor

NASA Astrophysics Data System (ADS)

Thurber, Kent; Hunt, Allen; Imai, Takashi; Chou, Fang-Cheng; Lee, Young

1997-03-01

We report NMR measurements of the ^17O nuclear spin-lattice relaxation rate 1/T_1, and the ^17O Knight shift of Sr_2CuO_2Cl2 (TN = 257 K) in the paramagnetic state from the Néel temperature up to 700 K. This establishes, for the first time, the temperature and frequency dependence of ^17O NMR in the paramagnetic state of a clean, single-layer, undoped parent compound of a high Tc superconductor. The ^17O NMR results test the nature of elementary spin excitations around q = 0 and give insight into the spin wave damping, Γ. The observation, ^17 1/T1 ~ a T^3 [ 1 + O(T/J) ], agrees semi-quantitatively with theoretical predictions based on spin waves in the spin S=1/2 2D Heisenberg model. electronically.

Experimental constraints on the sound velocities of cementite Fe3C to core pressures

NASA Astrophysics Data System (ADS)

Chen, Bin; Lai, Xiaojing; Li, Jie; Liu, Jiachao; Zhao, Jiyong; Bi, Wenli; Ercan Alp, E.; Hu, Michael Y.; Xiao, Yuming

2018-07-01

Sound velocities of cementite Fe3C have been measured up to 1.5 Mbar and at 300 K in a diamond anvil cell using the nuclear resonant inelastic X-ray scattering (NRIXS) technique. From the partial phonon density of states (pDOS) and equation of state (EOS) of Fe3C, we derived its elastic parameters including shear modulus, compressional (VP) and shear-wave (VS) velocities to core pressures. A pressure-induced spin-pairing transition in the powdered Fe3C sample was found to occur gradually between 10 and 50 GPa by the X-ray Emission Spectroscopy (XES) measurements. Following the completion of the spin-pairing transition, the VP and VS of low-spin Fe3C increased with pressure at a markedly lower rate than its high-spin counterpart. Our results suggest that the incorporation of carbon in solid iron to form iron carbide phases, Fe3C and Fe7C3, could effectively lower the VS but respectively raise the Poisson's ratio by 0.05 and 0.07 to approach the seismically observed values for the Earth's inner core. The comparison with the preliminary reference Earth model (PREM) implies that an inner core composition containing iron and its carbon-rich alloys can satisfactorily explain the observed seismic properties of the inner core.

Switching of the Spin-Density-Wave in CeCoIn5 probed by Thermal Conductivity

NASA Astrophysics Data System (ADS)

Kim, Duk Y.; Lin, Shi-Zeng; Weickert, Franziska; Bauer, Eric D.; Ronning, Filip; Thompson, Joe D.; Movshovich, Roman

Unconventional superconductor CeCoIn5 orders magnetically in a spin-density-wave (SDW) in the low-temperature and high-field corner of the superconducting phase. Recent neutron scattering experiment revealed that the single-domain SDW's ordering vector Q depends strongly on the direction of the magnetic field, switching sharply as the field is rotated through the anti-nodal direction. This switching may be manifestation of a pair-density-wave (PDW) p-wave order parameter, which develops in addition to the well-established d-wave order parameter due to the SDW formation. We have investigated the hypersensitivity of the magnetic domain with a thermal conductivity measurement. The heat current (J) was applied along the [110] direction such that the Q vector is either perpendicular or parallel to J, depending on the magnetic field direction. A discontinuous change of the thermal conductivity was observed when the magnetic field is rotated around the [100] direction within 0 . 2° . The thermal conductivity with the Q parallel to the heat current (J ∥Q) is approximately 15% lager than that with the Q perpendicular to the heat current (J ⊥Q). This result is consistent with additional gapping of the nodal quasiparticle by the p-wave PDW coupled to SDW. Work at Los Alamos was performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering.

Symmetry properties of the electron density and following from it limits on the KS-DFT applications

NASA Astrophysics Data System (ADS)

Kaplan, Ilya G.

2018-03-01

At present, the Density Functional Theory (DFT) approach elaborated by Kohn with co-authors more than 50 years ago became the most widely used method for study molecules and solids. Using modern computation facilities, it can be applied to systems with million atoms. In the atmosphere of such great popularity, it is particularly important to know the limits of the applicability of DFT methods. In this report, I will discuss two cases when the conventional DFT approaches, using only electron density ρ and its gradients, cannot be applied (I will not consider the Ψ-versions of DFT). The first case is quite evident. In the degenerated states, the electron density may not be defined, since electronic and nuclear motions cannot be separated, the vibronic interaction mixed them. The second case is related to the spin of the state. As it was rigorously proved by group theoretical methods at the theorem level, the electron density does not depend on the total spin S of the arbitrary N-electron state. It means that the Kohn-Sham equations have the same form for states with different S. The critical survey of elaborated DFT procedures, taking into account spin, shows that they modified only exchange functionals, the correlation functionals do not correspond to the spin of the state. The point is that the conception of spin cannot be defined in the framework of the electron density formalism, which corresponds to the one-particle reduced density matrix. This is the main reason of the problems arising in the study by DFT of magnetic properties of the transition metals. The possible way of resolving these problems can be found in the two-particle reduced density matrix formulation of DFT.

Spin wave Feynman diagram vertex computation package

NASA Astrophysics Data System (ADS)

Price, Alexander; Javernick, Philip; Datta, Trinanjan

Spin wave theory is a well-established theoretical technique that can correctly predict the physical behavior of ordered magnetic states. However, computing the effects of an interacting spin wave theory incorporating magnons involve a laborious by hand derivation of Feynman diagram vertices. The process is tedious and time consuming. Hence, to improve productivity and have another means to check the analytical calculations, we have devised a Feynman Diagram Vertex Computation package. In this talk, we will describe our research group's effort to implement a Mathematica based symbolic Feynman diagram vertex computation package that computes spin wave vertices. Utilizing the non-commutative algebra package NCAlgebra as an add-on to Mathematica, symbolic expressions for the Feynman diagram vertices of a Heisenberg quantum antiferromagnet are obtained. Our existing code reproduces the well-known expressions of a nearest neighbor square lattice Heisenberg model. We also discuss the case of a triangular lattice Heisenberg model where non collinear terms contribute to the vertex interactions.

Spin-electron acoustic soliton and exchange interaction in separate spin evolution quantum plasmas

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

Andreev, Pavel A., E-mail: andreevpa@physics.msu.ru

Separate spin evolution quantum hydrodynamics is generalized to include the Coulomb exchange interaction, which is considered as interaction between the spin-down electrons being in quantum states occupied by one electron. The generalized model is applied to study the non-linear spin-electron acoustic waves. Existence of the spin-electron acoustic soliton is demonstrated. Contributions of concentration, spin polarization, and exchange interaction to the properties of the spin electron acoustic soliton are studied.

Self-Calibrating Wave-Encoded Variable-Density Single-Shot Fast Spin Echo Imaging.

PubMed

Chen, Feiyu; Taviani, Valentina; Tamir, Jonathan I; Cheng, Joseph Y; Zhang, Tao; Song, Qiong; Hargreaves, Brian A; Pauly, John M; Vasanawala, Shreyas S

2018-04-01

It is highly desirable in clinical abdominal MR scans to accelerate single-shot fast spin echo (SSFSE) imaging and reduce blurring due to T 2 decay and partial-Fourier acquisition. To develop and investigate the clinical feasibility of wave-encoded variable-density SSFSE imaging for improved image quality and scan time reduction. Prospective controlled clinical trial. With Institutional Review Board approval and informed consent, the proposed method was assessed on 20 consecutive adult patients (10 male, 10 female, range, 24-84 years). A wave-encoded variable-density SSFSE sequence was developed for clinical 3.0T abdominal scans to enable high acceleration (3.5×) with full-Fourier acquisitions by: 1) introducing wave encoding with self-refocusing gradient waveforms to improve acquisition efficiency; 2) developing self-calibrated estimation of wave-encoding point-spread function and coil sensitivity to improve motion robustness; and 3) incorporating a parallel imaging and compressed sensing reconstruction to reconstruct highly accelerated datasets. Image quality was compared pairwise with standard Cartesian acquisition independently and blindly by two radiologists on a scale from -2 to 2 for noise, contrast, confidence, sharpness, and artifacts. The average ratio of scan time between these two approaches was also compared. A Wilcoxon signed-rank tests with a P value under 0.05 considered statistically significant. Wave-encoded variable-density SSFSE significantly reduced the perceived noise level and improved the sharpness of the abdominal wall and the kidneys compared with standard acquisition (mean scores 0.8, 1.2, and 0.8, respectively, P < 0.003). No significant difference was observed in relation to other features (P = 0.11). An average of 21% decrease in scan time was achieved using the proposed method. Wave-encoded variable-density sampling SSFSE achieves improved image quality with clinically relevant echo time and reduced scan time, thus providing a fast and robust approach for clinical SSFSE imaging. 1 Technical Efficacy: Stage 6 J. Magn. Reson. Imaging 2018;47:954-966. © 2017 International Society for Magnetic Resonance in Medicine.

Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations

NASA Astrophysics Data System (ADS)

Mitani, Masaki; Mori, Hiroki; Takano, Yu; Yamaki, Daisuke; Yoshioka, Yasunori; Yamaguchi, Kizashi

2000-09-01

Polyradicals comprised of m-phenylene-bridged organic radicals are well known as building blocks of organic ferromagnets, in which radical groups are connected with each other at the meta position in the benzene ring, and the parallel-spin configurations between radical sites are more stabilized than the antiparallel ones. Topological rules for spin alignments enable us to design organic high-spin dendrimers and polymers with the ferromagnetic ground states by linking various radical species through an m-phenylene unit. However, no systematic ab initio treatment of such spin dendrimers and magnetic polymers has been reported until now, though experimental studies on these materials have been performed extensively in the past ten years. As a first step to examine the possibilities of ferromagnetic dendrimers and polymers constructed of m-phenylene units with organic radicals, we report density functional and molecular orbital calculations of six m-phenylene biradical units with radical substituents and polycarbenes linked with an m-phenylene-type network. The relative stability between the spin states and spin density population are estimated by BLYP or B3LYP and Hartree-Fock calculations in order to clarify their utility for constructions of large spin denderimers and periodic magnetic polymers, which are final targets in this series of papers. It is shown that neutral polyradicals with an m-phenylene bridge are predicted as high-spin ground-state molecules by the computations, while m-phenylene-bridged ion-radical species formed by doping may have the low-spin ground states if zwitterionic configurations play significant roles to stabilize low-spin states. Ab initio computations also show an important role of conformations of polyradicals for stabilization of their high-spin states. The computational results are applied to molecular design of high-spin dendrimers and polymers. Implications of them are also discussed in relation to recent experimental results for high-spin organic molecules.

Order by disorder and gaugelike degeneracy in a quantum pyrochlore antiferromagnet.

PubMed

Henley, Christopher L

2006-02-03

The (three-dimensional) pyrochlore lattice antiferromagnet with Heisenberg spins of large spin length S is a highly frustrated model with a macroscopic degeneracy of classical ground states. The zero-point energy of (harmonic-order) spin-wave fluctuations distinguishes a subset of these states. I derive an approximate but illuminating effective Hamiltonian, acting within the subspace of Ising spin configurations representing the collinear ground states. It consists of products of Ising spins around loops, i.e., has the form of a Z2 lattice gauge theory. The remaining ground-state entropy is still infinite but not extensive, being O(L) for system size O(L3). All these ground states have unit cells bigger than those considered previously.

Vertex functions at finite momentum: Application to antiferromagnetic quantum criticality

NASA Astrophysics Data System (ADS)

Wölfle, Peter; Abrahams, Elihu

2016-02-01

We analyze the three-point vertex function that describes the coupling of fermionic particle-hole pairs in a metal to spin or charge fluctuations at nonzero momentum. We consider Ward identities, which connect two-particle vertex functions to the self-energy, in the framework of a Hubbard model. These are derived using conservation laws following from local symmetries. The generators considered are the spin density and particle density. It is shown that at certain antiferromagnetic critical points, where the quasiparticle effective mass is diverging, the vertex function describing the coupling of particle-hole pairs to the spin density Fourier component at the antiferromagnetic wave vector is also divergent. Then we give an explicit calculation of the irreducible vertex function for the case of three-dimensional antiferromagnetic fluctuations, and show that it is proportional to the diverging quasiparticle effective mass.

Competition of density waves and quantum multicritical behavior in Dirac materials from functional renormalization

NASA Astrophysics Data System (ADS)

Classen, Laura; Herbut, Igor F.; Janssen, Lukas; Scherer, Michael M.

2016-03-01

We study the competition of spin- and charge-density waves and their quantum multicritical behavior for the semimetal-insulator transitions of low-dimensional Dirac fermions. Employing the effective Gross-Neveu-Yukawa theory with two order parameters as a model for graphene and a growing number of other two-dimensional Dirac materials allows us to describe the physics near the multicritical point at which the semimetallic and the spin- and charge-density-wave phases meet. With the help of a functional renormalization group approach, we are able to reveal a complex structure of fixed points, the stability properties of which decisively depend on the number of Dirac fermions Nf. We give estimates for the critical exponents and observe crucial quantitative corrections as compared to the previous first-order ɛ expansion. For small Nf, the universal behavior near the multicritical point is determined by the chiral Heisenberg universality class supplemented by a decoupled, purely bosonic, Ising sector. At large Nf, a novel fixed point with nontrivial couplings between all sectors becomes stable. At intermediate Nf, including the graphene case (Nf=2 ), no stable and physically admissible fixed point exists. Graphene's phase diagram in the vicinity of the intersection between the semimetal, antiferromagnetic, and staggered density phases should consequently be governed by a triple point exhibiting first-order transitions.

Dual descriptors within the framework of spin-polarized density functional theory.

PubMed

Chamorro, E; Pérez, P; Duque, M; De Proft, F; Geerlings, P

2008-08-14

Spin-polarized density functional theory (SP-DFT) allows both the analysis of charge-transfer (e.g., electrophilic and nucleophilic reactivity) and of spin-polarization processes (e.g., photophysical changes arising from electron transitions). In analogy with the dual descriptor introduced by Morell et al. [J. Phys. Chem. A 109, 205 (2005)], we introduce new dual descriptors intended to simultaneously give information of the molecular regions where the spin-polarization process linking states of different multiplicity will drive electron density and spin density changes. The electronic charge and spin rearrangement in the spin forbidden radiative transitions S(0)-->T(n,pi(*)) and S(0)-->T(pi,pi(*)) in formaldehyde and ethylene, respectively, have been used as benchmark examples illustrating the usefulness of the new spin-polarization dual descriptors. These quantities indicate those regions where spin-orbit coupling effects are at work in such processes. Additionally, the qualitative relationship between the topology of the spin-polarization dual descriptors and the vertical singlet triplet energy gap in simple substituted carbene series has been also discussed. It is shown that the electron density and spin density rearrangements arise in agreement with spectroscopic experimental evidence and other theoretical results on the selected target systems.

Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

NASA Technical Reports Server (NTRS)

Green, S.

1972-01-01

Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

Intertwined order in a frustrated four-leg t - J cylinder

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

Dodaro, John F.; Jiang, Hong -Chen; Kivelson, Steven A.

Here, we report a density-matrix renormalization group study of the t–J model with nearest (t 1 and J 1) and next-nearest (t 2 and J 2) interactions on a four-leg cylinder with concentration δ=1/8 of doped holes. We observe an astonishingly complex interplay between uniform d-wave superconductivity (SC) and strong spin and charge-density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with 2k F, we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frustration (i.e., J 2/J 1~1/2) significantlymore » quenches SDW correlations with little effect on the CDW. Typically, the SC order is strongly modulated at the CDW ordering vector and exhibits d-wave symmetry around the cylinder. There is no evidence of a near-degenerate tendency to pair-density wave (PDW) ordering, charge 4e SC, or orbital current order.« less

Intertwined order in a frustrated four-leg t - J cylinder

DOE PAGES

Dodaro, John F.; Jiang, Hong -Chen; Kivelson, Steven A.

2017-04-12

Here, we report a density-matrix renormalization group study of the t–J model with nearest (t 1 and J 1) and next-nearest (t 2 and J 2) interactions on a four-leg cylinder with concentration δ=1/8 of doped holes. We observe an astonishingly complex interplay between uniform d-wave superconductivity (SC) and strong spin and charge-density wave ordering tendencies (SDW and CDW). Depending on parameters, the CDWs can be commensurate with period 4 or 8. By comparing the charge ordering vectors with 2k F, we rule out Fermi surface nesting-induced density wave order in our model. Magnetic frustration (i.e., J 2/J 1~1/2) significantlymore » quenches SDW correlations with little effect on the CDW. Typically, the SC order is strongly modulated at the CDW ordering vector and exhibits d-wave symmetry around the cylinder. There is no evidence of a near-degenerate tendency to pair-density wave (PDW) ordering, charge 4e SC, or orbital current order.« less

Competing spin density wave, collinear, and helical magnetism in Fe 1 + x Te

DOE PAGES

Stock, C.; Rodriguez, E. E.; Bourges, P.; ...

2017-04-07

The Fe 1+xTe phase diagram consists of two distinct magnetic structures with collinear order present at low interstitial iron concentrations and a helical phase at large values of x with these phases separated by a Lifshitz point. In this paper, we use unpolarized single-crystal diffraction to confirm the helical phase for large interstitial iron concentrations and polarized single-crystal diffraction to demonstrate the collinear order for the iron-deficient side of the Fe 1+xTe phase diagram. Polarized neutron inelastic scattering shows that the fluctuations associated with this collinear order are predominately transverse at low-energy transfers, consistent with a localized magnetic moment picture.more » We then apply neutron inelastic scattering and polarization analysis to investigate the dynamics and structure near the boundary between collinear and helical orders in the Fe 1+xTe phase diagram. We first show that the phase separating collinear and helical orders is characterized by a spin density wave with a single propagation wave vector of (~0.45, 0, 0.5). We do not observe harmonics or the presence of a charge density wave. The magnetic fluctuations associated with this wave vector are different from the collinear phase, being strongly longitudinal in nature and correlated anisotropically in the (H,K) plane. The excitations preserve the C 4 symmetry of the lattice but display different widths in momentum along the two tetragonal directions at low-energy transfers. Finally, while the low-energy excitations and minimal magnetic phase diagram can be understood in terms of localized interactions, we suggest that the presence of the density wave phase implies the importance of electronic and orbital properties.« less

Competing spin density wave, collinear, and helical magnetism in Fe 1 + x Te

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

Stock, C.; Rodriguez, E. E.; Bourges, P.

The Fe 1+xTe phase diagram consists of two distinct magnetic structures with collinear order present at low interstitial iron concentrations and a helical phase at large values of x with these phases separated by a Lifshitz point. In this paper, we use unpolarized single-crystal diffraction to confirm the helical phase for large interstitial iron concentrations and polarized single-crystal diffraction to demonstrate the collinear order for the iron-deficient side of the Fe 1+xTe phase diagram. Polarized neutron inelastic scattering shows that the fluctuations associated with this collinear order are predominately transverse at low-energy transfers, consistent with a localized magnetic moment picture.more » We then apply neutron inelastic scattering and polarization analysis to investigate the dynamics and structure near the boundary between collinear and helical orders in the Fe 1+xTe phase diagram. We first show that the phase separating collinear and helical orders is characterized by a spin density wave with a single propagation wave vector of (~0.45, 0, 0.5). We do not observe harmonics or the presence of a charge density wave. The magnetic fluctuations associated with this wave vector are different from the collinear phase, being strongly longitudinal in nature and correlated anisotropically in the (H,K) plane. The excitations preserve the C 4 symmetry of the lattice but display different widths in momentum along the two tetragonal directions at low-energy transfers. Finally, while the low-energy excitations and minimal magnetic phase diagram can be understood in terms of localized interactions, we suggest that the presence of the density wave phase implies the importance of electronic and orbital properties.« less

Competing spin density wave, collinear, and helical magnetism in Fe1 +xTe

NASA Astrophysics Data System (ADS)

Stock, C.; Rodriguez, E. E.; Bourges, P.; Ewings, R. A.; Cao, H.; Chi, S.; Rodriguez-Rivera, J. A.; Green, M. A.

2017-04-01

The Fe1 +xTe phase diagram consists of two distinct magnetic structures with collinear order present at low interstitial iron concentrations and a helical phase at large values of x with these phases separated by a Lifshitz point. We use unpolarized single-crystal diffraction to confirm the helical phase for large interstitial iron concentrations and polarized single-crystal diffraction to demonstrate the collinear order for the iron-deficient side of the Fe1 +xTe phase diagram. Polarized neutron inelastic scattering shows that the fluctuations associated with this collinear order are predominately transverse at low-energy transfers, consistent with a localized magnetic moment picture. We then apply neutron inelastic scattering and polarization analysis to investigate the dynamics and structure near the boundary between collinear and helical orders in the Fe1 +xTe phase diagram. We first show that the phase separating collinear and helical orders is characterized by a spin density wave with a single propagation wave vector of (˜0.45 , 0, 0.5). We do not observe harmonics or the presence of a charge density wave. The magnetic fluctuations associated with this wave vector are different from the collinear phase, being strongly longitudinal in nature and correlated anisotropically in the (H ,K ) plane. The excitations preserve the C4 symmetry of the lattice but display different widths in momentum along the two tetragonal directions at low-energy transfers. While the low-energy excitations and minimal magnetic phase diagram can be understood in terms of localized interactions, we suggest that the presence of the density wave phase implies the importance of electronic and orbital properties.

A reconfigurable waveguide for energy-efficient transmission and local manipulation of information in a nanomagnetic device

NASA Astrophysics Data System (ADS)

Adeyeye, Adekunle

In the last few years, interest in propagating-spin-wave based devices has grown largely due to advances in nanotechnology which allows shapes of geometrically confined magnonic elements to be fabricated, the development of new advanced experimental techniques for studying high-frequency magnetization dynamics and the potential use of spin waves as information carriers in spintronic applications. The first part of this talk will focus on design and fabrication strategies for synthesizing nanomagnetic networks with deterministic magnetic ground states. Reliable reconfiguration between ferromagnetic (FM), antiferromagnetic (AFM) and ferrimagnetic ground magnetic states will be shown in rhomboid nanomagnets which stabilize to unique ground states upon field initialized along their short axis. In the second part, a new waveguide consisting of dipolar coupled rhombic shaped nanomagnetic chain that eliminate the requirement of a stand-by power during operation will be presented. The sizes of the nanomagnets are small enough to retain their correct magnetic states once initialized. It will be shown that our waveguide could be used to send spin wave signal around a corner without any stand-by power. Another important parameter for device operation is the manipulation of the output signal, which is similar to a gating operation in a transistor. In our design, gating operation is demonstrated by switching the magnetization of single/multiple nanomagnets in the waveguides in order to manipulate the spin wave amplitude at the output. This work is supported by the National Research Foundation, Prime Minister's Office, under CRP 10-2012-03.

Magnetic gating of a 2D topological insulator

NASA Astrophysics Data System (ADS)

Dang, Xiaoqian; Burton, J. D.; Tsymbal, Evgeny Y.

2016-09-01

Deterministic control of transport properties through manipulation of spin states is one of the paradigms of spintronics. Topological insulators offer a new playground for exploring interesting spin-dependent phenomena. Here, we consider a ferromagnetic ‘gate’ representing a magnetic adatom coupled to the topologically protected edge state of a two-dimensional (2D) topological insulator to modulate the electron transmission of the edge state. Due to the locked spin and wave vector of the transport electrons the transmission across the magnetic gate depends on the mutual orientation of the adatom magnetic moment and the current. If the Fermi energy matches an exchange-split bound state of the adatom, the electron transmission can be blocked due to the full back scattering of the incident wave. This antiresonance behavior is controlled by the adatom magnetic moment orientation so that the transmission of the edge state can be changed from 1 to 0. Expanding this consideration to a ferromagnetic gate representing a 1D chain of atoms shows a possibility to control the spin-dependent current of a strip of a 2D topological insulator by magnetization orientation of the ferromagnetic gate.

Quantum Critical Point revisited by the Dynamical Mean Field Theory

NASA Astrophysics Data System (ADS)

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei

Dynamical mean field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low energy kink and the high energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high energy antiferromagnetic paramagnons. We use the frequency dependent four-point correlation function of spin operators to calculate the momentum dependent correction to the electron self energy. Our results reveal a substantial difference with the calculations based on the Spin-Fermion model which indicates that the frequency dependence of the the quasiparitcle-paramagnon vertices is an important factor. The authors are supported by Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant DE-FOA-0001276.

Spin eigen-states of Dirac equation for quasi-two-dimensional electrons

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

Eremko, Alexander, E-mail: eremko@bitp.kiev.ua; Brizhik, Larissa, E-mail: brizhik@bitp.kiev.ua; Loktev, Vadim, E-mail: vloktev@bitp.kiev.ua

Dirac equation for electrons in a potential created by quantum well is solved and the three sets of the eigen-functions are obtained. In each set the wavefunction is at the same time the eigen-function of one of the three spin operators, which do not commute with each other, but do commute with the Dirac Hamiltonian. This means that the eigen-functions of Dirac equation describe three independent spin eigen-states. The energy spectrum of electrons confined by the rectangular quantum well is calculated for each of these spin states at the values of energies relevant for solid state physics. It is shownmore » that the standard Rashba spin splitting takes place in one of such states only. In another one, 2D electron subbands remain spin degenerate, and for the third one the spin splitting is anisotropic for different directions of 2D wave vector.« less

Current-induced spin wave Doppler shift

NASA Astrophysics Data System (ADS)

Bailleul, Matthieu

2010-03-01

In metal ferromagnets -namely Fe, Co and Ni and their alloys- magnetism and electrical transport are strongly entangled (itinerant magnetism). This results in a number of properties such as the tunnel and giant magnetoresistance (i.e. the dependence of the electrical resistance on the magnetic state) and the more recently addressed spin transfer (i.e. the ability to manipulate the magnetic state with the help of an electrical current). The spin waves, being the low-energy elementary excitations of any ferromagnet, also exist in itinerant magnets, but they are expected to exhibit some peculiar properties due the itinerant character of the carriers. Accessing these specific properties experimentally could shed a new light on the microscopic mechanism governing itinerant magnetism, which -in turn- could help in optimizing material properties for spintronics applications. As a simple example of these specific properties, it was predicted theoretically that forcing a DC current through a ferromagnetic metal should induce a shift of the frequency of the spin waves [1,2]. This shift can be identified to a Doppler shift undergone by the electron system when it is put in motion by the electrical current. We will show how detailed spin wave measurements allow one to access this current-induced Doppler shift [3]. From an experimental point of view, we will discuss the peculiarities of propagating spin wave spectroscopy experiments carried out at a sub-micrometer length-scale and with MHz frequency resolution. Then, we will discuss the measured value of the Doppler shift in the context of both the old two-current model of spin-polarized transport and the more recent model of adiabatic spin transfer torque. [4pt] [1] P.Lederer and D.L. Mills, Phys.Rev. 148, 542 (1966).[0pt] [2] J. Fernandez-Rossier et al., Phys. Rev. B 69, 174412 (2004)[0pt] [3] V. Vlaminck and M. Bailleul, Science 322, 410 (2008).

Quasiclassical Theory of Spin Dynamics in Superfluid ^3He: Kinetic Equations in the Bulk and Spin Response of Surface Majorana States

NASA Astrophysics Data System (ADS)

Silaev, M. A.

2018-06-01

We develop a theory based on the formalism of quasiclassical Green's functions to study the spin dynamics in superfluid ^3He. First, we derive kinetic equations for the spin-dependent distribution function in the bulk superfluid reproducing the results obtained earlier without quasiclassical approximation. Then, we consider spin dynamics near the surface of fully gapped ^3He-B-phase taking into account spin relaxation due to the transitions in the spectrum of localized fermionic states. The lifetimes of longitudinal and transverse spin waves are calculated taking into account the Fermi-liquid corrections which lead to a crucial modification of fermionic spectrum and spin responses.

Skyrme interaction to second order in nuclear matter

NASA Astrophysics Data System (ADS)

Kaiser, N.

2015-09-01

Based on the phenomenological Skyrme interaction various density-dependent nuclear matter quantities are calculated up to second order in many-body perturbation theory. The spin-orbit term as well as two tensor terms contribute at second order to the energy per particle. The simultaneous calculation of the isotropic Fermi-liquid parameters provides a rigorous check through the validity of the Landau relations. It is found that published results for these second order contributions are incorrect in most cases. In particular, interference terms between s-wave and p-wave components of the interaction can contribute only to (isospin or spin) asymmetry energies. Even with nine adjustable parameters, one does not obtain a good description of the empirical nuclear matter saturation curve in the low density region 0\\lt ρ \\lt 2{ρ }0. The reason for this feature is the too strong density-dependence {ρ }8/3 of several second-order contributions. The inclusion of the density-dependent term \\frac{1}{6}{t}3{ρ }1/6 is therefore indispensable for a realistic description of nuclear matter in the Skyrme framework.

Magnetic vortex core reversal by excitation of spin waves.

PubMed

Kammerer, Matthias; Weigand, Markus; Curcic, Michael; Noske, Matthias; Sproll, Markus; Vansteenkiste, Arne; Van Waeyenberge, Bartel; Stoll, Hermann; Woltersdorf, Georg; Back, Christian H; Schuetz, Gisela

2011-01-01

Micron-sized magnetic platelets in the flux-closed vortex state are characterized by an in-plane curling magnetization and a nanometer-sized perpendicularly magnetized vortex core. Having the simplest non-trivial configuration, these objects are of general interest to micromagnetics and may offer new routes for spintronics applications. Essential progress in the understanding of nonlinear vortex dynamics was achieved when low-field core toggling by excitation of the gyrotropic eigenmode at sub-GHz frequencies was established. At frequencies more than an order of magnitude higher vortex state structures possess spin wave eigenmodes arising from the magneto-static interaction. Here we demonstrate experimentally that the unidirectional vortex core reversal process also occurs when such azimuthal modes are excited. These results are confirmed by micromagnetic simulations, which clearly show the selection rules for this novel reversal mechanism. Our analysis reveals that for spin-wave excitation the concept of a critical velocity as the switching condition has to be modified.

Infinite-range Heisenberg model and high-temperature superconductivity

NASA Astrophysics Data System (ADS)

Tahir-Kheli, Jamil; Goddard, William A., III

1993-11-01

A strongly coupled variational wave function, the doublet spin-projected Néel state (DSPN), is proposed for oxygen holes in three-band models of high-temperature superconductors. This wave function has the three-spin system of the oxygen hole plus the two neighboring copper atoms coupled in a spin-1/2 doublet. The copper spins in the neighborhood of a hole are in an eigenstate of the infinite-range Heisenberg antiferromagnet (SPN state). The doublet three-spin magnetic polaron or hopping polaron (HP) is stabilized by the hopping terms tσ and tτ, rather than by the copper-oxygen antiferromagnetic coupling Jpd. Although, the HP has a large projection onto the Emery (Dg) polaron, a non-negligible amount of doublet-u (Du) character is required for optimal hopping stabilization. This is due to Jdd, the copper-copper antiferromagnetic coupling. For the copper spins near an oxygen hole, the copper-copper antiferromagnetic coupling can be considered to be almost infinite ranged, since the copper-spin-correlation length in the superconducting phase (0.06-0.25 holes per in-plane copper) is approximately equal to the mean separation of the holes (between 2 and 4 lattice spacings). The general DSPN wave function is constructed for the motion of a single quasiparticle in an antiferromagnetic background. The SPN state allows simple calculations of various couplings of the oxygen hole with the copper spins. The energy minimum is found at symmetry (π/2,π/2) and the bandwidth scales with Jdd. These results are in agreement with exact computations on a lattice. The coupling of the quasiparticles leads to an attraction of holes and its magnitude is estimated.

Correlation between the Hall Resistance and Magnetoresistance in the Mixed State of an Nd2 - x Ce x CuO4 + δ Electronic Superconductor

NASA Astrophysics Data System (ADS)

Charikova, T. B.; Shelushinina, N. G.; Petukhov, D. S.; Kharus, G. I.; Petukhova, O. E.; Ivanov, A. A.

2017-12-01

The Hall resistance and the magnetoresistance in the mixed state of the Nd2 - x Ce x CuO4 + δ quasi-two-dimensional system near the antiferromagnetic-superconductor (AF-SC) phase transition have been measured at doping levels x = 0.14 and 0.15, and a correlation has been established. This correlation can be analyzed using the following power relationship: ρ xy ( B) [ρ xx ( B)]β. It was found that index β varied from 0.94 ± 0.03 in the region of AF and SC coexistence ( x = 0.14) to 0.6 ± 0.1 in the SC region with the maximum critical temperature ( x = 0.15) at low temperatures and weak magnetic fields. This reduction suggests that the symmetry of carrier pairing changes at the boundary of the transition from the phase of antiferromagnetic ordering and spin density waves to the superconducting phase in the presence of antiferromagnetic spin fluctuations.

Magnetic Radial Vortex Stabilization and Efficient Manipulation Driven by the Dzyaloshinskii-Moriya Interaction and Spin-Transfer Torque.

PubMed

Siracusano, G; Tomasello, R; Giordano, A; Puliafito, V; Azzerboni, B; Ozatay, O; Carpentieri, M; Finocchio, G

2016-08-19

Solitons are very promising for the design of the next generation of ultralow power devices for storage and computation. The key ingredient to achieving this goal is the fundamental understanding of their stabilization and manipulation. Here, we show how the interfacial Dzyaloshinskii-Moriya Interaction (IDMI) is able to lift the energy degeneracy of a magnetic vortex state by stabilizing a topological soliton with radial chirality, hereafter called radial vortex. It has a noninteger Skyrmion number S (0.5<|S|<1) due to both the vortex core polarity and the magnetization tilting induced by the IDMI boundary conditions. Micromagnetic simulations predict that a magnetoresistive memory based on the radial vortex state in both free and polarizer layers can be efficiently switched by a threshold current density smaller than 10^{6}  A/cm^{2}. The switching processes occur via the nucleation of topologically connected vortices and vortex-antivortex pairs, followed by spin-wave emissions due to vortex-antivortex annihilations.

Classification of trivial spin-1 tensor network states on a square lattice

NASA Astrophysics Data System (ADS)

Lee, Hyunyong; Han, Jung Hoon

2016-09-01

Classification of possible quantum spin liquid (QSL) states of interacting spin-1/2's in two dimensions has been a fascinating topic of condensed matter for decades, resulting in enormous progress in our understanding of low-dimensional quantum matter. By contrast, relatively little work exists on the identification, let alone classification, of QSL phases for spin-1 systems in dimensions higher than one. Employing the powerful ideas of tensor network theory and its classification, we develop general methods for writing QSL wave functions of spin-1 respecting all the lattice symmetries, spin rotation, and time reversal with trivial gauge structure on the square lattice. We find 25 distinct classes characterized by five binary quantum numbers. Several explicit constructions of such wave functions are given for bond dimensions D ranging from two to four, along with thorough numerical analyses to identify their physical characters. Both gapless and gapped states are found. The topological entanglement entropy of the gapped states is close to zero, indicative of topologically trivial states. In D =4 , several different tensors can be linearly combined to produce a family of states within the same symmetry class. A rich "phase diagram" can be worked out among the phases of these tensors, as well as the phase transitions among them. Among the states we identified in this putative phase diagram is the plaquette-ordered phase, gapped resonating valence bond phase, and a critical phase. A continuous transition separates the plaquette-ordered phase from the resonating valence bond phase.

Probing Sizes and Shapes of Nobelium Isotopes by Laser Spectroscopy

NASA Astrophysics Data System (ADS)

Raeder, S.; Ackermann, D.; Backe, H.; Beerwerth, R.; Berengut, J. C.; Block, M.; Borschevsky, A.; Cheal, B.; Chhetri, P.; Düllmann, Ch. E.; Dzuba, V. A.; Eliav, E.; Even, J.; Ferrer, R.; Flambaum, V. V.; Fritzsche, S.; Giacoppo, F.; Götz, S.; Heßberger, F. P.; Huyse, M.; Kaldor, U.; Kaleja, O.; Khuyagbaatar, J.; Kunz, P.; Laatiaoui, M.; Lautenschläger, F.; Lauth, W.; Mistry, A. K.; Minaya Ramirez, E.; Nazarewicz, W.; Porsev, S. G.; Safronova, M. S.; Safronova, U. I.; Schuetrumpf, B.; Van Duppen, P.; Walther, T.; Wraith, C.; Yakushev, A.

2018-06-01

Until recently, ground-state nuclear moments of the heaviest nuclei could only be inferred from nuclear spectroscopy, where model assumptions are required. Laser spectroscopy in combination with modern atomic structure calculations is now able to probe these moments directly, in a comprehensive and nuclear-model-independent way. Here we report on unique access to the differential mean-square charge radii of No 252 ,253 ,254 , and therefore to changes in nuclear size and shape. State-of-the-art nuclear density functional calculations describe well the changes in nuclear charge radii in the region of the heavy actinides, indicating an appreciable central depression in the deformed proton density distribution in No,254252 isotopes. Finally, the hyperfine splitting of No 253 was evaluated, enabling a complementary measure of its (quadrupole) deformation, as well as an insight into the neutron single-particle wave function via the nuclear spin and magnetic moment.

Helical waves in easy-plane antiferromagnets

NASA Astrophysics Data System (ADS)

Semenov, Yuriy G.; Li, Xi-Lai; Xu, Xinyi; Kim, Ki Wook

2017-12-01

Effective spin torques can generate the Néel vector oscillations in antiferromagnets (AFMs). Here, it is theoretically shown that these torques applied at one end of a normal AFM strip can excite a helical type of spin wave in the strip whose properties are drastically different from characteristic spin waves. An analysis based on both a Néel vector dynamical equation and the micromagnetic simulation identifies the direction of magnetic anisotropy and the damping factor as the two key parameters determining the dynamics. Helical wave propagation requires the hard axis of the easy-plane AFM to be aligned with the traveling direction, while the damping limits its spatial extent. If the damping is neglected, the calculation leads to a uniform periodic domain wall structure. On the other hand, finite damping decelerates the helical wave rotation around the hard axis, ultimately causing stoppage of its propagation along the strip. With the group velocity staying close to spin-wave velocity at the wave front, the wavelength becomes correspondingly longer away from the excitation point. In a sufficiently short strip, a steady-state oscillation can be established whose frequency is controlled by the waveguide length as well as the excitation energy or torque.

Parallel database search and prime factorization with magnonic holographic memory devices

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

Khitun, Alexander

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploitmore » wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.« less

Parallel database search and prime factorization with magnonic holographic memory devices

NASA Astrophysics Data System (ADS)

Khitun, Alexander

2015-12-01

In this work, we describe the capabilities of Magnonic Holographic Memory (MHM) for parallel database search and prime factorization. MHM is a type of holographic device, which utilizes spin waves for data transfer and processing. Its operation is based on the correlation between the phases and the amplitudes of the input spin waves and the output inductive voltage. The input of MHM is provided by the phased array of spin wave generating elements allowing the producing of phase patterns of an arbitrary form. The latter makes it possible to code logic states into the phases of propagating waves and exploit wave superposition for parallel data processing. We present the results of numerical modeling illustrating parallel database search and prime factorization. The results of numerical simulations on the database search are in agreement with the available experimental data. The use of classical wave interference may results in a significant speedup over the conventional digital logic circuits in special task data processing (e.g., √n in database search). Potentially, magnonic holographic devices can be implemented as complementary logic units to digital processors. Physical limitations and technological constrains of the spin wave approach are also discussed.

Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach

NASA Astrophysics Data System (ADS)

Lapierre, David; Alijah, Alexander; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

2016-10-01

Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O163 were determined using a previously developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently computed potential energy surface of ozone determined with a spectroscopic accuracy [Tyuterev et al., J. Chem. Phys. 139, 134307 (2013), 10.1063/1.4821638]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O3 is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational (J =0 ) levels of O163 and O183, both made of bosons with zero nuclear spin, cannot dissociate on the ground-state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue O163 with rotational angular momentum J =0 and 1 up to the dissociation threshold were also computed. For bound levels, good agreement with experimental energies is found: The rms deviation between observed and calculated vibrational energies is 1 cm-1. Rotational constants were determined and used for a simple identification of vibrational modes of calculated levels.

Calorimetric Measurements of Magnetic-Field-Induced Inhomogeneous Superconductivity Above the Paramagnetic Limit

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

Agosta, Charles C.; Fortune, Nathanael A.; Hannahs, Scott T.

We report the first magnetocaloric and calorimetric observations of a magnetic-field-induced phase transition within a superconducting state to the long-sought exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state, first predicted over 50 years ago. Through the combination of bulk thermodynamic calorimetric and magnetocaloric measurements in the organic superconductor. kappa-(BEDT-TTF)(2) Cu(NCS)(2) as a function of temperature, magnetic field strength, and magnetic field orientation, we establish for the first time that this field-induced first-order phase transition at the paramagnetic limit Hp is a transition to a higher-entropy superconducting phase, uniquely characteristic of the FFLO state. We also establish that this high-field superconducting state displays themore » bulk paramagnetic ordering of spin domains required of the FFLO state. These results rule out the alternate possibility of spin-density wave ordering in the high-field superconducting phase. The phase diagram determined from our measurements-including the observation of a phase transition into the FFLO phase at Hp-is in good agreement with recent NMR results and our own earlier tunnel-diode magnetic penetration depth experiments but is in disagreement with the only previous calorimetric report.« less

Calorimetric Measurements of Magnetic-Field-Induced Inhomogeneous Superconductivity Above the Paramagnetic Limit

NASA Astrophysics Data System (ADS)

Agosta, Charles C.; Fortune, Nathanael A.; Hannahs, Scott T.; Gu, Shuyao; Liang, Lucy; Park, Ju-Hyun; Schleuter, John A.

2017-06-01

We report the first magnetocaloric and calorimetric observations of a magnetic-field-induced phase transition within a superconducting state to the long-sought exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state, first predicted over 50 years ago. Through the combination of bulk thermodynamic calorimetric and magnetocaloric measurements in the organic superconductor κ -(BEDT -TTF )2Cu (NCS )2 as a function of temperature, magnetic field strength, and magnetic field orientation, we establish for the first time that this field-induced first-order phase transition at the paramagnetic limit Hp is a transition to a higher-entropy superconducting phase, uniquely characteristic of the FFLO state. We also establish that this high-field superconducting state displays the bulk paramagnetic ordering of spin domains required of the FFLO state. These results rule out the alternate possibility of spin-density wave ordering in the high-field superconducting phase. The phase diagram determined from our measurements—including the observation of a phase transition into the FFLO phase at Hp—is in good agreement with recent NMR results and our own earlier tunnel-diode magnetic penetration depth experiments but is in disagreement with the only previous calorimetric report.

Thermoelectronic transport through spin-crossover single molecule Fe[(H2Bpz2)2bipy

NASA Astrophysics Data System (ADS)

Liu, N.; Zhu, L.; Yao, K. L.

2018-04-01

By means of density functional theory combined with the method of Keldysh nonequilibrium Green’s function, the thermal transport properties of high- and low-spin states of mononuclear FeII molecules with spin-crossover characteristics are studied. It is found that the high-spin molecular junction has a larger current than the low-spin one, producing thermally-induced switching effect. Furthermore, for high spin state molecule, the spin-up thermo-current is strongly blocked, thus achieving a pure thermo spin current. The enhanced Seebeck coefficient and the figure of merit value of high-spin state indicate that it is an ideal candidate for thermoelectric applications.

Collective Yu-Shiba-Rusinov states in magnetic clusters at superconducting surfaces

NASA Astrophysics Data System (ADS)

Körber, Simon; Trauzettel, Björn; Kashuba, Oleksiy

2018-05-01

We study the properties of collective Yu-Shiba-Rusinov (YSR) states generated by multiple magnetic adatoms (clusters) placed on the surface of a superconductor. For magnetic clusters with equal distances between their constituents, we demonstrate the formation of effectively spin-unpolarized YSR states with subgap energies independent of the spin configuration of the magnetic impurities. We solve the problem analytically for arbitrary spin structure and analyze both spin-polarized (dispersive energy levels) and spin-unpolarized (pinned energy levels) solutions. While the energies of the spin-polarized solutions can be characterized solely by the net magnetic moment of the cluster, the wave functions of the spin-unpolarized solutions effectively decouple from it. This decoupling makes them stable against thermal fluctuation and detectable in scanning tunneling microscopy experiments.

Correlations and Werner states in finite spin linear arrays

NASA Astrophysics Data System (ADS)

Wells, P. R.; Chaves, C. M.; d'Albuquerque e Castro, J.; Koiller, Belita

2013-10-01

Pairwise quantum correlations in the ground state of an N-spins antiferromagnetic Heisenberg chain are investigated. By varying the exchange coupling between two neighboring sites, it is possible to reversibly drive spins from entangled to disentangled states. For even N, the two-spin density matrix is written in the form of a Werner state, allowing identification of its single parameter with the usual spin-spin correlation function. The N = 4 chain is identified as a promising system for practical demonstrations of non-classical correlations and the realization of Werner states in familiar condensed matter systems. Fabrication and measurement ingredients are within current capabilities.

Dynamics of magnetization in ferromagnet with spin-transfer torque

NASA Astrophysics Data System (ADS)

Li, Zai-Dong; He, Peng-Bin; Liu, Wu-Ming

2014-11-01

We review our recent works on dynamics of magnetization in ferromagnet with spin-transfer torque. Driven by constant spin-polarized current, the spin-transfer torque counteracts both the precession driven by the effective field and the Gilbert damping term different from the common understanding. When the spin current exceeds the critical value, the conjunctive action of Gilbert damping and spin-transfer torque leads naturally the novel screw-pitch effect characterized by the temporal oscillation of domain wall velocity and width. Driven by space- and time-dependent spin-polarized current and magnetic field, we expatiate the formation of domain wall velocity in ferromagnetic nanowire. We discuss the properties of dynamic magnetic soliton in uniaxial anisotropic ferromagnetic nanowire driven by spin-transfer torque, and analyze the modulation instability and dark soliton on the spin wave background, which shows the characteristic breather behavior of the soliton as it propagates along the ferromagnetic nanowire. With stronger breather character, we get the novel magnetic rogue wave and clarify its formation mechanism. The generation of magnetic rogue wave mainly arises from the accumulation of energy and magnons toward to its central part. We also observe that the spin-polarized current can control the exchange rate of magnons between the envelope soliton and the background, and the critical current condition is obtained analytically. At last, we have theoretically investigated the current-excited and frequency-adjusted ferromagnetic resonance in magnetic trilayers. A particular case of the perpendicular analyzer reveals that the ferromagnetic resonance curves, including the resonant location and the resonant linewidth, can be adjusted by changing the pinned magnetization direction and the direct current. Under the control of the current and external magnetic field, several magnetic states, such as quasi-parallel and quasi-antiparallel stable states, out-of-plane precession, and bistable states can be realized. The precession frequency can be expressed as a function of the current and external magnetic field.

Para-hydrogen raser delivers sub-millihertz resolution in nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Suefke, Martin; Lehmkuhl, Sören; Liebisch, Alexander; Blümich, Bernhard; Appelt, Stephan

2017-06-01

The precision of nuclear magnetic resonance spectroscopy (NMR) is limited by the signal-to-noise ratio, the measurement time Tm and the linewidth Δν = 1/(πT2). Overcoming the T 2 limit is possible if the nuclear spins of a molecule emit continuous radio waves. Lasers and masers are self-organized systems which emit coherent radiation in the optical and micro-wave regime. Both are based on creating a population inversion of specific energy states. Here we show continuous oscillations of proton spins of organic molecules in the radiofrequency regime (raser). We achieve this by coupling a population inversion created through signal amplification by reversible exchange (SABRE) to a high-quality-factor resonator. For the case of 15N labelled molecules, we observe multi-mode raser activity, which reports different spin quantum states. The corresponding 1H-15N J-coupled NMR spectra exhibit unprecedented sub-millihertz resolution and can be explained assuming two-spin ordered quantum states. Our findings demonstrate a substantial improvement in the frequency resolution of NMR.

Local-spin-density calculations for iron: Effect of spin interpolation on ground-state properties

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

MacLaren, J.M.; Clougherty, D.P.; Albers, R.C.

1990-08-15

Scalar-relativistic self-consistent linear muffin-tin orbital (LMTO) calculations for bcc and fcc Fe have been performed with several different local approximations to the exchange and correlation energy density and potential. Overall, in contrast to the conclusions of previous studies, we find that the local-spin-density approximation to exchange and correlation can provide an adequate description of bulk Fe {ital provided} that a proper parametrization of the correlation energy density and potential of the homogeneous electron gas over both spin and density is used. Lattice constants, found from the position of the minimum of the total energy as a function of Wigner-Seitz radius,more » agree to within 1% (for {ital s},{ital p},{ital d} LMTO's only) and within 1--2% (for {ital s},{ital p},{ital d},{ital f} LMTO's) of the experimental lattice constants for all forms used for the local correlation. The best agreement, however, was obtained using a local correlation potential derived from the Vosko-Wilk-Nusair form for the spin dependence of the correlation energy density. The calculation performed with this correlation potential was also the only calculation to correctly predict a bcc ferromagnetic ground state.« less

Bound Magnon Dominance of the Magnetic Susceptibility of the One-Dimensional Heisenberg Spin One-Half Ferromagnet Cyclohexylammonium Trichlorocuprate

NASA Astrophysics Data System (ADS)

Haines, Donald Noble

1987-09-01

This study is an experimental investigation of the differential magnetic susceptibility of the spin one -half, one-dimensional, Ising-Heisenberg ferromagnet (S = 1over 2,1d,HIF). Recent theoretical work predicts the existence of magnon bound states in this model system, and that these bound spin wave states dominate its thermodynamic properties. Further, the theories indicate that classical linearized spin wave theory fails completely in such systems, and may also be intrinsically incorrect in certain higher dimensional systems. The purpose of this research is to confirm the existence of bound magnons in the S = 1over 2,1d,HIF for the nearly Heisenberg case, and demonstrate the dominance of the bound states over the spin wave states in determining thermodynamic behavior. A preliminary numerical study was performed to determine the ranges of magnetic field and temperature at which bound magnons might be expected to make a significant contribution to the magnetic susceptibility and specific heat of the S = 1over 2,1d,HIF. It was found that bound magnons dominate at low and high fields, and spin waves dominate at intermediate fields. For anisotropies less than 2% bound magnons dominate the low temperature regime for all fields. To test the theoretical predictions cyclohexylammonium trichlorocuprate(II) (CHAC) was chosen as a model S = 1over 2,1d,HIF compound for experimental study. The differential susceptibility of a powder sample of CHAC was measured as a function of temperature in fields of 0, 1, 2, and 3T. The temperature range for these studies was 4.2K to 40K. Susceptibility measurements were performed using an ac mutual inductance bridge which employs a SQUID (Superconducting Quantum Interference Device) as a null detector. The design, calibration, and operation of this instrument are described. Data from the experiments compare favorably with the theoretical predictions, confirming the existence of bound magnons in the nearly Heisenberg S = 1over 2,1d,HIF. Further, the experimental results clearly show that bound magnons are the dominant excitation determining the susceptibility for all fields and temperatures studied. Spin wave theory cannot describe the data for any values of the adjustable parameters.

Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations

NASA Astrophysics Data System (ADS)

Farberovich, Oleg V.; Mazalova, Victoria L.; Soldatov, Alexander V.

2015-11-01

We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density-functional scheme for the calculation of the exchange integrals in the non-collinear spin configurations in the generalized spin Hamiltonian (GSH) with the anisotropic exchange coupling parameters linking the nickel ions with a silicon substrate. In this model the interaction of a spin qubit with substrate is considered in GSH at the calculation of exchange integrals Jij of the nanosystem Ni7-Si in the one-electron approach taking into account chemical bonds of all Si-atoms of a substrate (environment) with atoms of the Ni7-cluster. The energy pattern was found from the effective GSH Hamiltonian acting in the restricted spin space of the Ni ions by the application of the irreducible tensor operators (ITO) technique. In this paper we offer the model of the quantum solid-state N-spin qubit based on the studying of the spin structure and the spin-dynamics simulations of the 3d-metal Ni clusters on the silicon surface. The solution of the problem of the entanglement between spin states in the N-spin systems is becoming more interesting when considering clusters or molecules with a spectral gap in their density of states. For quantifying the distribution of the entanglement between the individual spin eigenvalues (modes) in the spin structure of the N-spin system we use the density of entanglement (DOE). In this study we have developed and used the advanced high-precision numerical techniques to accurately assess the details of the decoherence process governing the dynamics of the N-spin qubits interacting with a silicon surface. We have studied the Rabi oscillations to evaluate the N-spin qubits system as a function of the time and the magnetic field. We have observed the stabilized Rabi oscillations and have stabilized the quantum dynamical qubit state and Rabi driving after a fixed time (0.327 μs). The comparison of the energy pattern with the anisotropic exchange models conventionally used for the analysis of this system and, with the results of the experimental XANES spectra, shows that our complex investigations provide a good description of the pattern of the spin levels and the spin structures of the nanomagnetic Ni7 qubit. The results are discussed in the view of the general problem of the solid-state spin qubits and the spin structure of the Ni cluster.

Spin diffusion in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Cyclotron resonance in ferromagnetic InMnAs and InMnSb

NASA Astrophysics Data System (ADS)

Khodaparast, G. A.; Matsuda, Y. H.; Saha, D.; Sanders, G. D.; Stanton, C. J.; Saito, H.; Takeyama, S.; Merritt, T. R.; Feeser, C.; Wessels, B. W.; Liu, X.; Furdyna, J.

2013-12-01

We present experimental and theoretical studies of the magneto-optical properties of p-type In1-xMnxAs and In1-xMnxSb ferromagnetic semiconductor films in ultrahigh magnetic fields oriented along [001]. Samples were fabricated by molecular beam epitaxy (MBE) and metal-organic vapor phase epitaxy (MOVPE). To model the results, we used an 8-band Pidgeon-Brown model generalized to include the wave vector dependence of the elec-tronic states along kz as well as the s-d and p-d exchange interactions with the localized Mn d electrons. The Curie temperature is taken as an input parameter and the average Mn spin is treated in mean-field theory. We compared Landau level and band structure calculations with observed cyclotron resonance (CR) measurements. While differences between the CR measurements are seen for MBE and MOVPE samples, our calculations indicate that they arise from differences in the carrier densities. In addition, the difference in the carrier densities suggests significantly larger average spin for the MOVPE structures; this fact could be responsible for higher Curie temperatures in this material system.

First-Principles Study on the Structural and Magnetic Properties of Iron Hydride

NASA Astrophysics Data System (ADS)

Tsumuraya, Takao; Matsuura, Yasuyuki; Shishidou, Tatsuya; Oguchi, Tamio

2012-06-01

The magnetic and structural properties of iron hydride FeH with the double hexagonal close-packed (dhcp) and hexagonal close-packed (hcp) structures are investigated by first-principles density-functional theory calculations with a spin-polarized form of generalized gradient approximation. All the calculations are performed using all-electron full-potential linearized augmented plane wave method. Both dhcp and hcp FeH are ferromagnetic at ambient pressure. The ferromagnetic ordering of the dhcp structure collapses at a pressure of 48 GPa, while that of the hcp structure vanishes gradually from 48 GPa. The modification in the density of states (DOS) due to the applied pressure causes the collapse of the magnetization. The difference in magnetic moment reduction between dhcp and hcp FeH is attributed to their DOS around the Fermi level. The calculated magnetocrystalline anisotropy energies between in-plane and out-of-plane spin orientations are found to be 124 μeV/Fe for the dhcp structure, and 100 μeV/Fe for the hcp structure. The easy axis is in-plane direction for both structures.

Electronic and magnetic properties of Zn1-xFexSe alloys

NASA Astrophysics Data System (ADS)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-12-01

The spin polarized density functional theory along with self consistent plane wave pseudopotential method is used to investigate electronic and magnetic properties of ternary Zn1-xFexSe alloys with x = 0.125, 0.25, 0.5 and 0.75. The exchange-correlation potential treated within generalized gradient approximation is used. The calculated spin-polarized band structures, partial and total density of states reveal that Zn0.875Fe0.125Se and Zn0.75Fe0.25Se exhibit half metallic ferromagnetic characteristics and Zn0.50Fe0.50Se is nearly half metallic in nature. The half metallic band gaps for x = 0.125 and 0.25 are 0.69 and 0.39 eV respectively, while the corresponding band gaps are 0.86 and 0.81 eV. The p-d hybridization reduces the magnetic moment of Fe atoms from its free space charge value of 4 μB and induces the small magnetic moments on Zn and Se sites. The results are compared with available experimental data.

Density functional of a two-dimensional gas of dipolar atoms: Thomas-Fermi-Dirac treatment

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

Fang, Bess; Englert, Berthold-Georg

We derive the density functional for the ground-state energy of a two-dimensional, spin-polarized gas of neutral fermionic atoms with magnetic-dipole interaction, in the Thomas-Fermi-Dirac approximation. For many atoms in a harmonic trap, we give analytical solutions for the single-particle spatial density and the ground-state energy, in dependence on the interaction strength, and we discuss the weak-interaction limit that is relevant for experiments. We then lift the restriction of full spin polarization and account for a time-independent inhomogeneous external magnetic field. The field strength necessary to ensure full spin polarization is derived.

Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory.

PubMed

Gaggioli, Carlo Alberto; Belpassi, Leonardo; Tarantelli, Francesco; Harvey, Jeremy N; Belanzoni, Paola

2018-04-06

A spin-forbidden chemical reaction involves a change in the total electronic spin state from reactants to products. The mechanistic study is challenging because such a reaction does not occur on a single diabatic potential energy surface (PES), but rather on two (or multiple) spin diabatic PESs. One possible approach is to calculate the so-called "minimum energy crossing point" (MECP) between the diabatic PESs, which however is not a stationary point. Inclusion of spin-orbit coupling between spin states (SOC approach) allows the reaction to occur on a single adiabatic PES, in which a transition state (TS SOC) as well as activation free energy can be calculated. This Concept article summarizes a previously published application in which, for the first time, the SOC effects, using spin-orbit ZORA Hamiltonian within density functional theory (DFT) framework, are included and account for the mechanism of a spin-forbidden reaction in gold chemistry. The merits of the MECP and TS SOC approaches and the accuracy of the results are compared, considering both our recent calculations on molecular oxygen addition to gold(I)-hydride complexes and new calculations for the prototype spin-forbidden N 2 O and N 2 Se dissociation reactions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Wang Landau parallel algorithm for the simple grids. Optimizing OpenMPI parallel implementation

NASA Astrophysics Data System (ADS)

Kussainov, A. S.

2017-12-01

The Wang Landau Monte Carlo algorithm to calculate density of states for the different simple spin lattices was implemented. The energy space was split between the individual threads and balanced according to the expected runtime for the individual processes. Custom spin clustering mechanism, necessary for overcoming of the critical slowdown in the certain energy subspaces, was devised. Stable reconstruction of the density of states was of primary importance. Some data post-processing techniques were involved to produce the expected smooth density of states.

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

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

Influence of Molecular Oxygen on Ortho-Para Conversion of Water Molecules

NASA Astrophysics Data System (ADS)

Valiev, R. R.; Minaev, B. F.

2017-07-01

The mechanism of influence of molecular oxygen on the probability of ortho-para conversion of water molecules and its relation to water magnetization are considered within the framework of the concept of paramagnetic spin catalysis. Matrix elements of the hyperfine ortho-para interaction via the Fermi contact mechanism are calculated, as well as the Maliken spin densities on water protons in H2O and O2 collisional complexes. The mechanism of penetration of the electron spin density into the water molecule due to partial spin transfer from paramagnetic oxygen is considered. The probability of ortho-para conversion of the water molecules is estimated by the quantum chemistry methods. The results obtained show that effective ortho-para conversion of the water molecules is possible during the existence of water-oxygen dimers. An external magnetic field affects the ortho-para conversion rate given that the wave functions of nuclear spin sublevels of the water protons are mixed in the complex with oxygen.

Electronic structure and magnetic properties of Pr-Co intermetallics: ab initio FP-LAPW calculations and correlation with experiments

NASA Astrophysics Data System (ADS)

Bakkari, Karim; Fersi, Riadh; Kebir Hlil, El; Bessais, Lotfi; Thabet Mliki, Najeh

2018-03-01

First-principle calculations combining density functional theory and the full-potential linearized augmented plane wave (FP-LAPW) method are performed to investigate the electronic and magnetic structure of Pr2Co7 in its two polymorphic forms, (2:7 H) and (2:7 R), for the first time. This type of calculation was also performed for PrCo5 and PrCo2 intermetallics. We have computed the valence density of states separately for spin-up and spin-down states in order to investigate the electronic band structure. This is governed by the strong contribution of the partial DOS of 3d-Co bands compared to the partial DOS of the 4f-Pr bands. Such a high ferromagnetic state is discussed in terms of the strong spin polarization observed in the total DOS. The magnetic moments carried by the Co and Pr atoms located in several sites for all compounds are computed. These results mainly indicate that cobalt atoms make a dominant contribution to the magnetic moments. The notable difference in the atomic moments of Pr and Co atoms between different structural slabs is explained in terms of the magnetic characteristics of the PrCo2 and PrCo5 compounds and the local chemical environments of the Pr and Co atoms in different structural slabs of Pr2Co7. From spin-polarized calculations we have simulated the 3d and 4f band population to estimate the local magnetic moments. These results are in accordance with the magnetic moments calculated using the FP-LAPW method. In addition, the exchange interactions J ij are calculated and used as input for M(T) simulations. Involving the data obtained from the electronic structure calculations, the appropriate Padé Table is applied to simulate the magnetization M(T) and to estimate the mean-field Curie temperature. We report a fairly good agreement between the ab initio calculation of magnetization and Curie temperature with the experimental data.

Muon contact hyperfine field in metals: A DFT calculation

NASA Astrophysics Data System (ADS)

Onuorah, Ifeanyi John; Bonfà, Pietro; De Renzi, Roberto

2018-05-01

In positive muon spin rotation and relaxation spectroscopy it is becoming customary to take advantage of density functional theory (DFT) based computational methods to aid the experimental data analysis. DFT-aided muon site determination is especially useful for measurements performed in magnetic materials, where large contact hyperfine interactions may arise. Here we present a systematic analysis of the accuracy of the ab initio estimation of muon's hyperfine contact field on elemental transition metals, performing state-of-the-art spin-polarized plane-wave DFT and using the projector-augmented pseudopotential approach, which allows one to include the core state effects due to the spin ordering. We further validate this method in not-so-simple, noncentrosymmetric metallic compounds, presently of topical interest for their spiral magnetic structure giving rise to skyrmion phases, such as MnSi and MnGe. The calculated hyperfine fields agree with experimental values in all cases, provided the spontaneous spin magnetization of the metal is well reproduced within the approach. To overcome the known limits of the conventional mean-field approximation of DFT on itinerant magnets, we adopt the so-called reduced Stoner theory [L. Ortenzi et al., Phys. Rev. B 86, 064437 (2012), 10.1103/PhysRevB.86.064437]. We establish the accuracy of the estimated muon contact field in metallic compounds with DFT and our results show improved agreement with experiments compared to those of earlier publications.

The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

NASA Astrophysics Data System (ADS)

Kar, J. K.; Panda, Saswati; Rout, G. C.

2017-05-01

We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

Signatures of pairing in the magnetic excitation spectrum of strongly correlated two-leg ladders [Signatures of pairing in the magnetic excitation spectrum of strongly correlated ladders

DOE PAGES

Nocera, Alberto; Patel, Niravkumar D.; Dagotto, Elbio R.; ...

2017-11-13

Magnetic interactions are widely believed to play a crucial role in the microscopic mechanism leading to high critical temperature superconductivity. It is therefore important to study the signatures of pairing in the magnetic excitation spectrum of simple models known to show unconventional superconducting tendencies. Using the density matrix renormalization group technique, we calculate the dynamical spin structure factor S(k,ω) of a generalized t–U–J Hubbard model away from half filling in a two-leg ladder geometry. The addition of J enhances pairing tendencies. We analyze quantitatively the signatures of pairing in the magnetic excitation spectra. We found that the superconducting pair-correlation strength,more » that can be estimated independently from ground state properties, is closely correlated with the integrated low-energy magnetic spectral weight in the vicinity of (π,π). In this wave-vector region, robust spin incommensurate features develop with increasing doping. The branch of the spectrum with rung direction wave vector k rung=0 does not change substantially with doping where pairing dominates and thus plays a minor role. As a result, we discuss the implications of our results for neutron scattering experiments, where the spin excitation dynamics of hole-doped quasi-one-dimensional magnetic materials can be measured and also address implications for recent resonant inelastic x-ray scattering experiments.« less

Signatures of pairing in the magnetic excitation spectrum of strongly correlated two-leg ladders [Signatures of pairing in the magnetic excitation spectrum of strongly correlated ladders

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

Nocera, Alberto; Patel, Niravkumar D.; Dagotto, Elbio R.

Magnetic interactions are widely believed to play a crucial role in the microscopic mechanism leading to high critical temperature superconductivity. It is therefore important to study the signatures of pairing in the magnetic excitation spectrum of simple models known to show unconventional superconducting tendencies. Using the density matrix renormalization group technique, we calculate the dynamical spin structure factor S(k,ω) of a generalized t–U–J Hubbard model away from half filling in a two-leg ladder geometry. The addition of J enhances pairing tendencies. We analyze quantitatively the signatures of pairing in the magnetic excitation spectra. We found that the superconducting pair-correlation strength,more » that can be estimated independently from ground state properties, is closely correlated with the integrated low-energy magnetic spectral weight in the vicinity of (π,π). In this wave-vector region, robust spin incommensurate features develop with increasing doping. The branch of the spectrum with rung direction wave vector k rung=0 does not change substantially with doping where pairing dominates and thus plays a minor role. As a result, we discuss the implications of our results for neutron scattering experiments, where the spin excitation dynamics of hole-doped quasi-one-dimensional magnetic materials can be measured and also address implications for recent resonant inelastic x-ray scattering experiments.« less

Electronic and Magnetic Properties of Ni-Doped Zinc-Blende ZnO: A First-Principles Study.

PubMed

Xue, Suqin; Zhang, Fuchun; Zhang, Shuili; Wang, Xiaoyang; Shao, Tingting

2018-04-26

The electronic structure, band structure, density of state, and magnetic properties of Ni-doped zinc-blende (ZB) ZnO are studied by using the first-principles method based on the spin-polarized density-functional theory. The calculated results show that Ni atoms can induce a stable ferromagnetic (FM) ground state in Ni-doped ZB ZnO. The magnetic moments mainly originate from the unpaired Ni 3 d orbitals, and the O 2 p orbitals contribute a little to the magnetic moments. The magnetic moment of a supercell including a single Ni atom is 0.79 μ B . The electronic structure shows that Ni-doped ZB ZnO is a half-metallic FM material. The strong spin-orbit coupling appears near the Fermi level and shows obvious asymmetry for spin-up and spin-down density of state, which indicates a significant hybrid effects from the Ni 3 d and O 2 p states. However, the coupling of the anti-ferromagnetic (AFM) state show metallic characteristic, the spin-up and spin-down energy levels pass through the Fermi surface. The magnetic moment of a single Ni atom is 0.74 μ B . Moreover, the results show that the Ni 3 d and O 2 p states have a strong p - d hybridization effect near the Fermi level and obtain a high stability. The above theoretical results demonstrate that Ni-doped zinc blende ZnO can be considered as a potential half-metal FM material and dilute magnetic semiconductors.

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

Cirac, J. Ignacio; Sierra, German; Instituto de Fisica Teorica, UAM-CSIC, Madrid

We generalize the matrix product states method using the chiral vertex operators of conformal field theory and apply it to study the ground states of the XXZ spin chain, the J{sub 1}-J{sub 2} model and random Heisenberg models. We compute the overlap with the exact wave functions, spin-spin correlators, and the Renyi entropy, showing that critical systems can be described by this method. For rotational invariant ansatzs we construct an inhomogenous extension of the Haldane-Shastry model with long-range exchange interactions.

Exotic superconductivity with enhanced energy scales in materials with three band crossings

NASA Astrophysics Data System (ADS)

Lin, Yu-Ping; Nandkishore, Rahul M.

2018-04-01

Three band crossings can arise in three-dimensional quantum materials with certain space group symmetries. The low energy Hamiltonian supports spin one fermions and a flat band. We study the pairing problem in this setting. We write down a minimal BCS Hamiltonian and decompose it into spin-orbit coupled irreducible pairing channels. We then solve the resulting gap equations in channels with zero total angular momentum. We find that in the s-wave spin singlet channel (and also in an unusual d-wave `spin quintet' channel), superconductivity is enormously enhanced, with a possibility for the critical temperature to be linear in interaction strength. Meanwhile, in the p-wave spin triplet channel, the superconductivity exhibits features of conventional BCS theory due to the absence of flat band pairing. Three band crossings thus represent an exciting new platform for realizing exotic superconducting states with enhanced energy scales. We also discuss the effects of doping, nonzero temperature, and of retaining additional terms in the k .p expansion of the Hamiltonian.

Irreversible Markov chains in spin models: Topological excitations

NASA Astrophysics Data System (ADS)

Lei, Ze; Krauth, Werner

2018-01-01

We analyze the convergence of the irreversible event-chain Monte Carlo algorithm for continuous spin models in the presence of topological excitations. In the two-dimensional XY model, we show that the local nature of the Markov-chain dynamics leads to slow decay of vortex-antivortex correlations while spin waves decorrelate very quickly. Using a Fréchet description of the maximum vortex-antivortex distance, we quantify the contributions of topological excitations to the equilibrium correlations, and show that they vary from a dynamical critical exponent z∼ 2 at the critical temperature to z∼ 0 in the limit of zero temperature. We confirm the event-chain algorithm's fast relaxation (corresponding to z = 0) of spin waves in the harmonic approximation to the XY model. Mixing times (describing the approach towards equilibrium from the least favorable initial state) however remain much larger than equilibrium correlation times at low temperatures. We also describe the respective influence of topological monopole-antimonopole excitations and of spin waves on the event-chain dynamics in the three-dimensional Heisenberg model.

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.

OH{sup +} in astrophysical media: state-to-state formation rates, Einstein coefficients and inelastic collision rates with He

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

Gómez-Carrasco, Susana; Godard, Benjamin; Lique, François

The rate constants required to model the OH{sup +} observations in different regions of the interstellar medium have been determined using state of the art quantum methods. First, state-to-state rate constants for the H{sub 2}(v = 0, J = 0, 1) + O{sup +}({sup 4} S) → H + OH{sup +}(X {sup 3}Σ{sup –}, v', N) reaction have been obtained using a quantum wave packet method. The calculations have been compared with time-independent results to assess the accuracy of reaction probabilities at collision energies of about 1 meV. The good agreement between the simulations and the existing experimental cross sectionsmore » in the 0.01-1 eV energy range shows the quality of the results. The calculated state-to-state rate constants have been fitted to an analytical form. Second, the Einstein coefficients of OH{sup +} have been obtained for all astronomically significant rovibrational bands involving the X {sup 3}Σ{sup –} and/or A {sup 3}Π electronic states. For this purpose, the potential energy curves and electric dipole transition moments for seven electronic states of OH{sup +} are calculated with ab initio methods at the highest level, including spin-orbit terms, and the rovibrational levels have been calculated including the empirical spin-rotation and spin-spin terms. Third, the state-to-state rate constants for inelastic collisions between He and OH{sup +}(X {sup 3}Σ{sup –}) have been calculated using a time-independent close coupling method on a new potential energy surface. All these rates have been implemented in detailed chemical and radiative transfer models. Applications of these models to various astronomical sources show that inelastic collisions dominate the excitation of the rotational levels of OH{sup +}. In the models considered, the excitation resulting from the chemical formation of OH{sup +} increases the line fluxes by about 10% or less depending on the density of the gas.« less

A Concise Introduction to Quantum Mechanics

NASA Astrophysics Data System (ADS)

Swanson, Mark S.

2018-02-01

Assuming a background in basic classical physics, multivariable calculus, and differential equations, A Concise Introduction to Quantum Mechanics provides a self-contained presentation of the mathematics and physics of quantum mechanics. The relevant aspects of classical mechanics and electrodynamics are reviewed, and the basic concepts of wave-particle duality are developed as a logical outgrowth of experiments involving blackbody radiation, the photoelectric effect, and electron diffraction. The Copenhagen interpretation of the wave function and its relation to the particle probability density is presented in conjunction with Fourier analysis and its generalization to function spaces. These concepts are combined to analyze the system consisting of a particle confined to a box, developing the probabilistic interpretation of observations and their associated expectation values. The Schrödinger equation is then derived by using these results and demanding both Galilean invariance of the probability density and Newtonian energy-momentum relations. The general properties of the Schrödinger equation and its solutions are analyzed, and the theory of observables is developed along with the associated Heisenberg uncertainty principle. Basic applications of wave mechanics are made to free wave packet spreading, barrier penetration, the simple harmonic oscillator, the Hydrogen atom, and an electric charge in a uniform magnetic field. In addition, Dirac notation, elements of Hilbert space theory, operator techniques, and matrix algebra are presented and used to analyze coherent states, the linear potential, two state oscillations, and electron diffraction. Applications are made to photon and electron spin and the addition of angular momentum, and direct product multiparticle states are used to formulate both the Pauli exclusion principle and quantum decoherence. The book concludes with an introduction to the rotation group and the general properties of angular momentum.

Extended magnetic exchange interactions in the high-temperature ferromagnet MnBi

DOE PAGES

Christianson, Andrew D.; Hahn, Steven E.; Fishman, Randy Scott; ...

2016-05-09

Here, the high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments, and a coercivity that increases with temperature. The synthesis of MnBi also allows for crystals that are free of interstitial Mn, enabling more direct access to the key interactions underlying the physical properties of binary Mn-based ferromagnets. In this work, we use inelastic neutron scattering to measure the spin waves of MnBi in order to characterize the magnetic exchange at low temperature. Consistent with the spin reorientationmore » that occurs below 140~K, we do not observe a spin gap in this system above our experimental resolution. A Heisenberg model was fit to the spin wave data in order to characterize the long-range nature of the exchange. It was found that interactions up to sixth nearest neighbor are required to fully parameterize the spin waves. Surprisingly, the nearest-neighbor term is antiferromagnetic, and the realization of a ferromagnetic ground state relies on the more numerous ferromagnetic terms beyond nearest neighbor, suggesting that the ferromagnetic ground state arises as a consequence of the long-ranged interactions in the system.« less

Determining the nature of excitonic dephasing in high-quality GaN/AlGaN quantum wells through time-resolved and spectrally resolved four-wave mixing spectroscopy

NASA Astrophysics Data System (ADS)

Gallart, M.; Ziegler, M.; Crégut, O.; Feltin, E.; Carlin, J.-F.; Butté, R.; Grandjean, N.; Hönerlage, B.; Gilliot, P.

2017-07-01

Applying four-wave mixing spectroscopy to a high-quality GaN/AlGaN single quantum well, we report on the experimental determination of excitonic dephasing times at different temperatures and exciton densities in III-nitride heterostructures. By comparing the evolution with the temperature of the dephasing and the spin-relaxation rate, we conclude that both processes are related to the rate of excitonic collisions. When spin relaxation occurs in the motional-narrowing regime, it remains constant over a large temperature range as the spin-precession frequency increases linearly with temperature, hence compensating for the observed decrease in the dephasing time. From those measurements, a value of the electron-hole exchange interaction strength of 0.45 meV at T =10 K is inferred.

Relativistic symmetries in the Rosen—Morse potential and tensor interaction using the Nikiforov—Uvarov method

NASA Astrophysics Data System (ADS)

Sameer, M. Ikhdair; Majid, Hamzavi

2013-04-01

Approximate analytical bound-state solutions of the Dirac particle in the fields of attractive and repulsive Rosen—Morse (RM) potentials including the Coulomb-like tensor (CLT) potential are obtained for arbitrary spin-orbit quantum number κ. The Pekeris approximation is used to deal with the spin-orbit coupling terms κ (κ± 1)r-2. In the presence of exact spin and pseudospin (p-spin) symmetries, the energy eigenvalues and the corresponding normalized two-component wave functions are found by using the parametric generalization of the Nikiforov—Uvarov (NU) method. The numerical results show that the CLT interaction removes degeneracies between the spin and p-spin state doublets.

Spin-waves in thin films with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Diep, H. T.; El Hog, Sahbi; Puszkarski, Henryk

2018-05-01

Using the Green's function method, we calculate the spin-wave (SW) spectrum in a thin film with quantum Heisenberg spins interacting with each other via an exchange interaction J and a Dzyaloshinskii-Moriya interaction of magnitude D. Due to the competition between J and D, the ground state is non collinear. We show that for large D, the first mode in the SW spectrum is proportional to the in plane wave-vector k at the limit k tending to zero. For small D, it is proportional to k2. We show that the surface modes may occur depending on the surface exchange interaction. We calculate the layer magnetizations at temperature T and the transition temperature as a function of the film thickness.

Studies of magnetostriction and spin polarized band structures of rare earth intermetallics

NASA Technical Reports Server (NTRS)

Wallace, W. E.

1979-01-01

Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.

Electron spin resonance in the superconducting state of Ba0.6K0.4Fe2As2

NASA Astrophysics Data System (ADS)

Dlamini, Zolile Wiseman; Srinivasan, A.; Ma, Yanwei; Srinivasu, V. V.

2018-05-01

We report the observation of electron spin resonance (ESR) signals in a single crystal of Ba0.6K0.4Fe2As2 grown by self-flux method. We observed two narrow resonant absorption signals at g-values of 4.3 and 1.99. Significantly, these signals are stronger in intensity at 5 K. They become weaker as the temperature is increased and finally vanish at Tc. The resonance at g = 4.3 (signal I) shows different temperature dependence of intensity for parallel and perpendicular orientations of the magnetic field to the iron arsenide plane. However, the resonance at g = 1.99 (signal 2) does not show much difference in temperature dependence of intensity for the two orientations. Further, temperature dependence of the linewidth of the two signals are also different. We propose that these two signals have their origin in fluctuations in the spin system as magnetic fluctuations are believed to be the origin of superconductivity in iron pnictides. Temperature dependence of intensity of signal I is indicative of Fe cluster formation in the scenario of coexistence of spin density wave and superconducting phase for this composition of the crystal.

Density-controlled quantum Hall ferromagnetic transition in a two-dimensional hole system

DOE PAGES

Lu, T. M.; Tracy, L. A.; Laroche, D.; ...

2017-06-01

We typically achieve Quantum Hall ferromagnetic transitions by increasing the Zeeman energy through in-situ sample rotation, while transitions in systems with pseudo-spin indices can be induced by gate control. We report here a gate-controlled quantum Hall ferromagnetic transition between two real spin states in a conventional two-dimensional system without any in-plane magnetic field. We also show that the ratio of the Zeeman splitting to the cyclotron gap in a Ge two-dimensional hole system increases with decreasing density owing to inter-carrier interactions. Below a critical density of ~2.4 × 10 10 cm -2, this ratio grows greater than 1, resulting inmore » a ferromagnetic ground state at filling factor ν = 2. At the critical density, a resistance peak due to the formation of microscopic domains of opposite spin orientations is observed. For such gate-controlled spin-polarizations in the quantum Hall regime the door opens in order to realize Majorana modes using two-dimensional systems in conventional, low-spin-orbit-coupling semiconductors.« less

Density-controlled quantum Hall ferromagnetic transition in a two-dimensional hole system

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

Lu, T. M.; Tracy, L. A.; Laroche, D.

We typically achieve Quantum Hall ferromagnetic transitions by increasing the Zeeman energy through in-situ sample rotation, while transitions in systems with pseudo-spin indices can be induced by gate control. We report here a gate-controlled quantum Hall ferromagnetic transition between two real spin states in a conventional two-dimensional system without any in-plane magnetic field. We also show that the ratio of the Zeeman splitting to the cyclotron gap in a Ge two-dimensional hole system increases with decreasing density owing to inter-carrier interactions. Below a critical density of ~2.4 × 10 10 cm -2, this ratio grows greater than 1, resulting inmore » a ferromagnetic ground state at filling factor ν = 2. At the critical density, a resistance peak due to the formation of microscopic domains of opposite spin orientations is observed. For such gate-controlled spin-polarizations in the quantum Hall regime the door opens in order to realize Majorana modes using two-dimensional systems in conventional, low-spin-orbit-coupling semiconductors.« less

Entanglement entropy of critical spin liquids.

PubMed

Zhang, Yi; Grover, Tarun; Vishwanath, Ashvin

2011-08-05

Quantum spin liquids are phases of matter whose internal structure is not captured by a local order parameter. Particularly intriguing are critical spin liquids, where strongly interacting excitations control low energy properties. Here we calculate their bipartite entanglement entropy that characterizes their quantum structure. In particular we calculate the Renyi entropy S(2) on model wave functions obtained by Gutzwiller projection of a Fermi sea. Although the wave functions are not sign positive, S(2) can be calculated on relatively large systems (>324 spins) using the variational Monte Carlo technique. On the triangular lattice we find that entanglement entropy of the projected Fermi sea state violates the boundary law, with S(2) enhanced by a logarithmic factor. This is an unusual result for a bosonic wave function reflecting the presence of emergent fermions. These techniques can be extended to study a wide class of other phases.

Coherence rephasing combined with spin-wave storage using chirped control pulses

NASA Astrophysics Data System (ADS)

Demeter, Gabor

2014-06-01

Photon-echo based optical quantum memory schemes often employ intermediate steps to transform optical coherences to spin coherences for longer storage times. We analyze a scheme that uses three identical chirped control pulses for coherence rephasing in an inhomogeneously broadened ensemble of three-level Λ systems. The pulses induce a cyclic permutation of the atomic populations in the adiabatic regime. Optical coherences created by a signal pulse are stored as spin coherences at an intermediate time interval, and are rephased for echo emission when the ensemble is returned to the initial state. Echo emission during a possible partial rephasing when the medium is inverted can be suppressed with an appropriate choice of control pulse wave vectors. We demonstrate that the scheme works in an optically dense ensemble, despite control pulse distortions during propagation. It integrates conveniently the spin-wave storage step into memory schemes based on a second rephasing of the atomic coherences.

Mutual influence between macrospin reversal order and spin-wave dynamics in isolated artificial spin-ice vertices

DOE PAGES

Montoncello, F.; Giovannini, L.; Bang, Wonbae; ...

2018-01-18

In this paper, we theoretically and experimentally investigate magnetization reversal and associated spin-wave dynamics of isolated threefold vertices that constitute a Kagome lattice. The three permalloy macrospins making up the vertex have an elliptical cross section and a uniform thickness. We study the dc magnetization curve and the frequency versus field curves (dispersions) of those spin-wave modes that produce the largest response. We also investigate each macrospin reversal from a dynamic perspective, by performing micromagnetic simulations of the reversal processes, and revealing their relationships to the soft-mode profile calculated at the equilibrium state immediately before reversal. The theoretical results aremore » compared with the measured magnetization curves and ferromagnetic resonance spectra. Finally, the agreement achieved suggests that a much deeper understanding of magnetization reversal and accompanying hysteresis can be achieved by combining theoretical calculations with static and dynamic magnetization experiments.« less

Mutual influence between macrospin reversal order and spin-wave dynamics in isolated artificial spin-ice vertices

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

Montoncello, F.; Giovannini, L.; Bang, Wonbae

In this paper, we theoretically and experimentally investigate magnetization reversal and associated spin-wave dynamics of isolated threefold vertices that constitute a Kagome lattice. The three permalloy macrospins making up the vertex have an elliptical cross section and a uniform thickness. We study the dc magnetization curve and the frequency versus field curves (dispersions) of those spin-wave modes that produce the largest response. We also investigate each macrospin reversal from a dynamic perspective, by performing micromagnetic simulations of the reversal processes, and revealing their relationships to the soft-mode profile calculated at the equilibrium state immediately before reversal. The theoretical results aremore » compared with the measured magnetization curves and ferromagnetic resonance spectra. Finally, the agreement achieved suggests that a much deeper understanding of magnetization reversal and accompanying hysteresis can be achieved by combining theoretical calculations with static and dynamic magnetization experiments.« less

Temporal evolution of the spin-wave intensity and phase in a local parametric amplifier

NASA Astrophysics Data System (ADS)

Brächer, T.; Heussner, F.; Meyer, T.; Fischer, T.; Geilen, M.; Heinz, B.; Lägel, B.; Hillebrands, B.; Pirro, P.

2018-03-01

We present a time-resolved study of the evolution of the spin-wave intensity and phase in a local parametric spin-wave amplifier at pumping powers close to the threshold of parametric generation. We show that the phase of the amplified spin waves is determined by the phase of the incoming signal-carrying spin waves and that it can be preserved on long time scales as long as the energy input by the input spin waves is provided. In contrast, the phase-information is lost in such a local spin-wave amplifier as soon as the input spin-wave is switched off. These findings are an important benchmark for the use of parametric amplifiers in logic circuits relying on the spin-wave phase as information carrier.

Electrically tunable g factors in quantum dot molecular spin states.

PubMed

Doty, M F; Scheibner, M; Ponomarev, I V; Stinaff, E A; Bracker, A S; Korenev, V L; Reinecke, T L; Gammon, D

2006-11-10

We present a magnetophotoluminescence study of individual vertically stacked InAs/GaAs quantum dot pairs separated by thin tunnel barriers. As an applied electric field tunes the relative energies of the two dots, we observe a strong resonant increase or decrease in the g factors of different spin states that have molecular wave functions distributed over both quantum dots. We propose a phenomenological model for the change in g factor based on resonant changes in the amplitude of the wave function in the barrier due to the formation of bonding and antibonding orbitals.

Electrically Tunable g Factors in Quantum Dot Molecular Spin States

NASA Astrophysics Data System (ADS)

Doty, M. F.; Scheibner, M.; Ponomarev, I. V.; Stinaff, E. A.; Bracker, A. S.; Korenev, V. L.; Reinecke, T. L.; Gammon, D.

2006-11-01

We present a magnetophotoluminescence study of individual vertically stacked InAs/GaAs quantum dot pairs separated by thin tunnel barriers. As an applied electric field tunes the relative energies of the two dots, we observe a strong resonant increase or decrease in the g factors of different spin states that have molecular wave functions distributed over both quantum dots. We propose a phenomenological model for the change in g factor based on resonant changes in the amplitude of the wave function in the barrier due to the formation of bonding and antibonding orbitals.

Interaction quantum quenches in the one-dimensional Fermi-Hubbard model

NASA Astrophysics Data System (ADS)

Heidrich-Meisner, Fabian; Bauer, Andreas; Dorfner, Florian; Riegger, Luis; Orso, Giuliano

2016-05-01

We discuss the nonequilibrium dynamics in two interaction quantum quenches in the one-dimensional Fermi-Hubbard model. First, we study the decay of the Néel state as a function of interaction strength. We observe a fast charge dynamics over which double occupancies are built up, while the long-time decay of the staggered moment is controlled by spin excitations, corroborated by the analysis of the entanglement dynamics. Second, we investigate the formation of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) correlations in a spin-imbalanced system in quenches from the noninteracting case to attractive interactions. Even though the quench puts the system at a finite energy density, peaks at the characteristic FFLO quasimomenta are visible in the quasi-momentum distribution function, albeit with an exponential decay of s-wave pairing correlations. We also discuss the imprinting of FFLO correlations onto repulsively bound pairs and their rapid decay in ramps. Supported by the DFG (Deutsche Forschungsgemeinschaft) via FOR 1807.

Spin dynamics and orbital state in LaTiO3

PubMed

Keimer; Casa; Ivanov; Lynn; Zimmermann; Hill; Gibbs; Taguchi; Tokura

2000-10-30

A neutron scattering study of the Mott-Hubbard insulator LaTiO3 ( T(N) = 132 K) reveals a spin wave spectrum that is well described by a nearest-neighbor superexchange constant J = 15.5 meV and a small Dzyaloshinskii-Moriya interaction ( D = 1.1 meV). The nearly isotropic spin wave spectrum is surprising in view of the absence of a static Jahn-Teller distortion that could quench the orbital angular momentum, and it may indicate strong orbital fluctuations. A resonant x-ray scattering study has uncovered no evidence of orbital order in LaTiO3.

Radiation of sound from unflanged cylindrical ducts

NASA Technical Reports Server (NTRS)

Hartharan, S. L.; Bayliss, A.

1983-01-01

Calculations of sound radiated from unflanged cylindrical ducts are presented. The numerical simulation models the problem of an aero-engine inlet. The time dependent linearized Euler equations are solved from a state of rest until a harmonic solution is attained. A fourth order accurate finite difference scheme is used and solutions are obtained from a fully vectorized Cyber-203 computer program. Cases of both plane waves and spin modes are treated. Spin modes model the sound generated by a turbofan engine. Boundary conditions for both plane waves and spin modes are treated. Solutions obtained are compared with experiments conducted at NASA Langley Research Center.

Spin-adapted matrix product states and operators

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

Keller, Sebastian, E-mail: sebastian.keller@phys.chem.ethz.ch; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in MPSs and MPOs by virtue of the Wigner–Eckart theorem at the example of the spin-adapted quantum chemical Hamiltonian operator.

I-Love-Q relations in neutron stars and their applications to astrophysics, gravitational waves, and fundamental physics

NASA Astrophysics Data System (ADS)

Yagi, Kent; Yunes, Nicolás

2013-07-01

The exterior gravitational field of a slowly rotating neutron star can be characterized by its multipole moments, the first few being the neutron star mass, moment of inertia, and quadrupole moment to quadratic order in spin. In principle, all of these quantities depend on the neutron star’s internal structure, and thus, on unknown nuclear physics at supranuclear energy densities, all of which is usually parametrized through an equation of state. We here find relations between the moment of inertia, the Love numbers and the quadrupole moment (I-Love-Q relations) that do not depend sensitively on the neutron star’s internal structure. Such universality may arise for two reasons: (i) these relations depend most sensitively on the internal structure far from the core, where all realistic equations of state mostly approach each other; (ii) as the neutron star compactness increases, the I-Love-Q trio approaches that of a black hole, which does not have an internal-structure dependence. Three important consequences derive from these I-Love-Q relations. On an observational astrophysics front, the measurement of a single member of the I-Love-Q trio would automatically provide information about the other two, even when the latter may not be observationally accessible. On a gravitational-wave front, the I-Love-Q relations break the degeneracy between the quadrupole moment and the neutron star spins in binary inspiral waveforms, allowing second-generation ground-based detectors to determine the (dimensionless) averaged spin to O(10)%, given a sufficiently large signal-to-noise ratio detection. On a fundamental physics front, the I-Love-Q relations allow for tests of general relativity in the neutron star strong field that are both theory and internal-structure independent. As an example, by combining gravitational-wave and electromagnetic observations, one may constrain dynamical Chern-Simons gravity in the future by more than six orders of magnitude more stringently than Solar System and table-top constraints.

DFT study on the crystal, electronic and magnetic structures of tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe) via GGA and GGA + U

NASA Astrophysics Data System (ADS)

Saad, H.-E.; Musa, M.; Elhag, Ahmed

2018-06-01

In this paper, we study the crystal, electronic and magnetic structures of three tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe). All calculations were performed using the full-potential linear augmented plane-wave (PF-LAPW) method based on the first-principles density functional theory (DFT). For the exchange correlation potential, the generalized gradient approximation (GGA) and GGA plus on-site Coulomb parameter (GGA + U) were employed. The structural optimization reveals that the three compounds are stable in cubic structure (space group Fm-3m; tilt system a0a0a0). The band structure, density of states (DOS), charge density and spin magnetic moments were calculated and analyzed in details. By analysis the band structure and DOS, Ba2MTaO6 exhibits an insulating behavior (M = Cr, Fe) and a half-metallic (HM) nature (M = Mn). GGA + U method yields quite accurate results for the band-gap (Eg) as compared with GGA. We found that all three compounds have stable ferromagnetic (FM) ground state within GGA and GGA + U calculations. The M3+ (3d) ions contribute the majority in the total spin magnetic-moments, while, the empty T5+ (5d) ions carry very small induced magnetic moment via the M (3d)-O (2p)-Ta (5d) hybridization.

State diagram of magnetostatic coupling phase-locked spin-torque oscillators

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

Zhang, Mengwei; Wang, Longze; Wei, Dan, E-mail: weidan@mail.tsinghua.edu.cn

2015-05-07

The state diagram of magnetostatic coupling phase-locked spin torque oscillator (STO) with perpendicular reference layer and planar field generation layer (FGL) is studied by the macrospin model and the micromagnetic model. The state diagrams of current densities are calculated under various external fields. The simulation shows that there are two phase-lock current density regions. In the phase-locked STOs in low current region I, the spin configuration of FGL is uniform; in high current region II, the spin configuration of FGL is highly nonuniform. In addition, the results with different STOs separation L{sub s} are compared, and the coupling between twomore » STOs is largely decreased when L{sub s} is increased from 40 nm to 60 nm.« less

Ising antiferromagnet on a finite triangular lattice with free boundary conditions

NASA Astrophysics Data System (ADS)

Kim, Seung-Yeon

2015-11-01

The exact integer values for the density of states of the Ising model on an equilateral triangular lattice with free boundary conditions are evaluated up to L = 24 spins on a side for the first time by using the microcanonical transfer matrix. The total number of states is 2 N s = 2300 ≈ 2.037 × 1090 for L = 24, where N s = L( L+1)/2 is the number of spins. Classifying all 2300 spin states according to their energy values is an enormous work. From the density of states, the exact partition function zeros in the complex temperature plane of the triangular-lattice Ising model are evaluated. Using the density of states and the partition function zeros, we investigate the properties of the triangularlattice Ising antiferromagnet. The scaling behavior of the ground-state entropy and the form of the correlation length at T = 0 are studied for the triangular-lattice Ising antiferromagnet with free boundary conditions. Also, the scaling behavior of the Fisher edge singularity is investigated.

Spin-1/2 Heisenberg antiferromagnet on an anisotropic triangular lattice

NASA Astrophysics Data System (ADS)

Starykh, Oleg

2007-03-01

The Triangular lattice spin-1/2 Heisenberg AntiFerromagnet (TAF) is a prototypical model of frustrated quantum magnetism. While it is believed to exhibit long-range order in the isotropic limit, changes such as spatial anisotropy can alter the delicate balance amongst competing ground states. I will describe the static and dynamic properties of the spatially anisotropic TAF, with inter-chain diagonal exchange J' much weaker than the intrachain exchange J. Treating J' as a perturbation of decoupled Heisenberg spin-1/2 chains, I find that the ground state is spontaneously dimerized in a four-fold degenerate zig-zag pattern. This dimerization instability is driven by quantum fluctuations, which are dramatically enhanced here by the frustrated nature of inter-chain exchange. A magnetic field partially relieves frustration, by canting the spins along the field direction, and causes a quantum phase transition into a magnetically-ordered spin-density-wave phase. This is followed by cone and, finally, fully polarized (saturated) phases, as a function of increasing magnetic field. I show that many of these features are in fact observed in experiments on the celebrated material Cs2CuCl4 (J'/J =1/3). I will also discuss the significant modification of the phase diagram by symmetry-breaking anisotropic Dzyaloshinskii-Moriya (DM) interactions, present in this interesting magnet. In addition to static and thermodynamic properties, the proposed ``one-dimensional'' approach offers a compelling explanation of the unusual experimentally measured dynamical structure factor of Cs2CuCl4 in terms of descendants of one-dimensional spinons. Quite generally, I find characteristic features of a momentum-dependent spinon bound state and a dispersing incoherent excitation in the structure factor, in agreement with experiments.

Demonstration of a robust magnonic spin wave interferometer.

PubMed

Kanazawa, Naoki; Goto, Taichi; Sekiguchi, Koji; Granovsky, Alexander B; Ross, Caroline A; Takagi, Hiroyuki; Nakamura, Yuichi; Inoue, Mitsuteru

2016-07-22

Magnonics is an emerging field dealing with ultralow power consumption logic circuits, in which the flow of spin waves, rather than electric charges, transmits and processes information. Waves, including spin waves, excel at encoding information via their phase using interference. This enables a number of inputs to be processed in one device, which offers the promise of multi-input multi-output logic gates. To realize such an integrated device, it is essential to demonstrate spin wave interferometers using spatially isotropic spin waves with high operational stability. However, spin wave reflection at the waveguide edge has previously limited the stability of interfering waves, precluding the use of isotropic spin waves, i.e., forward volume waves. Here, a spin wave absorber is demonstrated comprising a yttrium iron garnet waveguide partially covered by gold. This device is shown experimentally to be a robust spin wave interferometer using the forward volume mode, with a large ON/OFF isolation value of 13.7 dB even in magnetic fields over 30 Oe.

Demonstration of a robust magnonic spin wave interferometer

PubMed Central

Kanazawa, Naoki; Goto, Taichi; Sekiguchi, Koji; Granovsky, Alexander B.; Ross, Caroline A.; Takagi, Hiroyuki; Nakamura, Yuichi; Inoue, Mitsuteru

2016-01-01

Magnonics is an emerging field dealing with ultralow power consumption logic circuits, in which the flow of spin waves, rather than electric charges, transmits and processes information. Waves, including spin waves, excel at encoding information via their phase using interference. This enables a number of inputs to be processed in one device, which offers the promise of multi-input multi-output logic gates. To realize such an integrated device, it is essential to demonstrate spin wave interferometers using spatially isotropic spin waves with high operational stability. However, spin wave reflection at the waveguide edge has previously limited the stability of interfering waves, precluding the use of isotropic spin waves, i.e., forward volume waves. Here, a spin wave absorber is demonstrated comprising a yttrium iron garnet waveguide partially covered by gold. This device is shown experimentally to be a robust spin wave interferometer using the forward volume mode, with a large ON/OFF isolation value of 13.7 dB even in magnetic fields over 30 Oe. PMID:27443989

Entangled spins and ghost-spins

NASA Astrophysics Data System (ADS)

Jatkar, Dileep P.; Narayan, K.

2017-09-01

We study patterns of quantum entanglement in systems of spins and ghost-spins regarding them as simple quantum mechanical toy models for theories containing negative norm states. We define a single ghost-spin as in [20] as a 2-state spin variable with an indefinite inner product in the state space. We find that whenever the spin sector is disentangled from the ghost-spin sector (both of which could be entangled within themselves), the reduced density matrix obtained by tracing over all the ghost-spins gives rise to positive entanglement entropy for positive norm states, while negative norm states have an entanglement entropy with a negative real part and a constant imaginary part. However when the spins are entangled with the ghost-spins, there are new entanglement patterns in general. For systems where the number of ghost-spins is even, it is possible to find subsectors of the Hilbert space where positive norm states always lead to positive entanglement entropy after tracing over the ghost-spins. With an odd number of ghost-spins however, we find that there always exist positive norm states with negative real part for entanglement entropy after tracing over the ghost-spins.

Distribution of Localized States from Fine Analysis of Electron Spin Resonance Spectra in Organic Transistors

NASA Astrophysics Data System (ADS)

Matsui, Hiroyuki; Mishchenko, Andrei S.; Hasegawa, Tatsuo

2010-02-01

We developed a novel method for obtaining the distribution of trapped carriers over their degree of localization in organic transistors, based on the fine analysis of electron spin resonance spectra at low enough temperatures where all carriers are localized. To apply the method to pentacene thin-film transistors, we proved through continuous wave saturation experiments that all carriers are localized at below 50 K. We analyzed the spectra at 20 K and found that the major groups of traps comprise localized states having wave functions spanning around 1.5 and 5 molecules and a continuous distribution of states with spatial extent in the range between 6 and 20 molecules.

Distribution of localized states from fine analysis of electron spin resonance spectra in organic transistors.

PubMed

Matsui, Hiroyuki; Mishchenko, Andrei S; Hasegawa, Tatsuo

2010-02-05

We developed a novel method for obtaining the distribution of trapped carriers over their degree of localization in organic transistors, based on the fine analysis of electron spin resonance spectra at low enough temperatures where all carriers are localized. To apply the method to pentacene thin-film transistors, we proved through continuous wave saturation experiments that all carriers are localized at below 50 K. We analyzed the spectra at 20 K and found that the major groups of traps comprise localized states having wave functions spanning around 1.5 and 5 molecules and a continuous distribution of states with spatial extent in the range between 6 and 20 molecules.

Non-volatile Clocked Spin Wave Interconnect for Beyond-CMOS Nanomagnet Pipelines

PubMed Central

Dutta, Sourav; Chang, Sou-Chi; Kani, Nickvash; Nikonov, Dmitri E.; Manipatruni, Sasikanth; Young, Ian A.; Naeemi, Azad

2015-01-01

The possibility of using spin waves for information transmission and processing has been an area of active research due to the unique ability to manipulate the amplitude and phase of the spin waves for building complex logic circuits with less physical resources and low power consumption. Previous proposals on spin wave logic circuits have suggested the idea of utilizing the magneto-electric effect for spin wave amplification and amplitude- or phase-dependent switching of magneto-electric cells. Here, we propose a comprehensive scheme for building a clocked non-volatile spin wave device by introducing a charge-to-spin converter that translates information from electrical domain to spin domain, magneto-electric spin wave repeaters that operate in three different regimes - spin wave transmitter, non-volatile memory and spin wave detector, and a novel clocking scheme that ensures sequential transmission of information and non-reciprocity. The proposed device satisfies the five essential requirements for logic application: nonlinearity, amplification, concatenability, feedback prevention, and complete set of Boolean operations. PMID:25955353

A density-functional-theory study of biradicals from benzene to hexacene

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Wang, Xingyong; Ma, Jing; Cho, Jun-Hyung

2011-11-01

The singlet-triplet energy gap of biradicals created in benzene and polyacenes is investigated by density-functional-theory calculations. For the biradicals in benzene, naphthalene, anthracene, tetracene, pentacene, and hexacene, we find that the singlet state is energetically favored over the triplet state by 189, 191, 184, 199, 218, and 244 meV, respectively. The monotonous increase of the singlet-triplet energy gap from anthracene to hexacene is attributed to the enhanced stability of the singlet state for longer polyacenes. Our analysis shows that the spin density of the singlet state is delocalized over all benzene rings, but such a spin delocalization is not present for the triplet state.

Influence of interstitial Mn on magnetism in the room-temperature ferromagnet Mn 1 + δ Sb

DOE PAGES

Taylor, Alice E.; Berlijn, Tom; Hahn, Steven E.; ...

2015-06-15

We repormore » t elastic and inelastic neutron scattering measurements of the high-TC ferromagnet Mn 1 + δ Sb . Measurements were performed on a large, T C = 434 K, single crystal with interstitial Mn content of δ ≈ 0.13. The neutron diffraction results reveal that the interstitial Mn has a magnetic moment, and that it is aligned antiparallel to the main Mn moment. We perform density functional theory calculations including the interstitial Mn, and find the interstitial to be magnetic in agreement with the diffraction data. The inelastic neutron scattering measurements reveal two features in the magnetic dynamics: i) a spin-wave-like dispersion emanating from ferromagnetic Bragg positions (H K 2n), and ii) a broad, non-dispersive signal centered at forbidden Bragg positions (H K 2n+1). The inelastic spectrum cannot be modeled by simple linear spin-wave theory calculations, and appears to be significantly altered by the presence of the interstitial Mn ions. Finally, the results show that the influence of the interstitial Mn on the magnetic state in this system is more important than previously understood.« less

Thermal Hall conductivity in the spin-triplet superconductor with broken time-reversal symmetry

NASA Astrophysics Data System (ADS)

Imai, Yoshiki; Wakabayashi, Katsunori; Sigrist, Manfred

2017-01-01

Motivated by the spin-triplet superconductor Sr2RuO4 , the thermal Hall conductivity is investigated for several pairing symmetries with broken time-reversal symmetry. In the chiral p -wave phase with a fully opened quasiparticle excitation gap, the temperature dependence of the thermal Hall conductivity has a temperature linear term associated with the topological property directly and an exponential term, which shows a drastic change around the Lifshitz transition. Examining f -wave states as alternative candidates with d =Δ0z ̂(kx2-ky2) (kx±i ky) and Δ0z ̂kxky(kx±i ky) with gapless quasiparticle excitations, we study the temperature dependence of the thermal Hall conductivity, where for the former state the thermal Hall conductivity has a quadratic dependence on temperature, originating from the linear dispersions, in addition to linear and exponential behavior. The obtained result may enable us to distinguish between the chiral p -wave and f -wave states in Sr2RuO4 .

Coherent manipulation of spin correlations in the Hubbard model

NASA Astrophysics Data System (ADS)

Wurz, N.; Chan, C. F.; Gall, M.; Drewes, J. H.; Cocchi, E.; Miller, L. A.; Pertot, D.; Brennecke, F.; Köhl, M.

2018-05-01

We coherently manipulate spin correlations in a two-component atomic Fermi gas loaded into an optical lattice using spatially and time-resolved Ramsey spectroscopy combined with high-resolution in situ imaging. This technique allows us not only to imprint spin patterns but also to probe the static magnetic structure factor at an arbitrary wave vector, in particular, the staggered structure factor. From a measurement along the diagonal of the first Brillouin zone of the optical lattice, we determine the magnetic correlation length and the individual spatial spin correlators. At half filling, the staggered magnetic structure factor serves as a sensitive thermometer, which we employ to study the equilibration in the spin and density sector during a slow quench of the lattice depth.

Quench dynamics of the spin-imbalanced Fermi-Hubbard model in one dimension

NASA Astrophysics Data System (ADS)

Yin, Xiao; Radzihovsky, Leo

2016-12-01

We study a nonequilibrium dynamics of a one-dimensional spin-imbalanced Fermi-Hubbard model following a quantum quench of on-site interaction, realizable, for example, in Feshbach-resonant atomic Fermi gases. We focus on the post-quench evolution starting from the initial BCS and Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) ground states and analyze the corresponding spin-singlet, spin-triplet, density-density, and magnetization-magnetization correlation functions. We find that beyond a light-cone crossover time, rich post-quench dynamics leads to thermalized and pre-thermalized stationary states that display strong dependence on the initial ground state. For initially gapped BCS state, the long-time stationary state resembles thermalization with the effective temperature set by the initial value of the Hubbard interaction. In contrast, while the initial gapless FFLO state reaches a stationary pre-thermalized form, it remains far from equilibrium. We suggest that such post-quench dynamics can be used as a fingerprint for identification and study of the FFLO phase.

Terahertz radiation by subpicosecond spin-polarized photocurrent originating from Dirac electrons in a Rashba-type polar semiconductor

NASA Astrophysics Data System (ADS)

Kinoshita, Yuto; Kida, Noriaki; Miyamoto, Tatsuya; Kanou, Manabu; Sasagawa, Takao; Okamoto, Hiroshi

2018-04-01

The spin-splitting energy bands induced by the relativistic spin-orbit interaction in solids provide a new opportunity to manipulate the spin-polarized electrons on the subpicosecond timescale. Here, we report one such example in a bulk Rashba-type polar semiconductor BiTeBr. Strong terahertz electromagnetic waves are emitted after the resonant excitation of the interband transition between the Rashba-type spin-splitting energy bands with a femtosecond laser pulse circularly polarized. The phase of the emitted terahertz waves is reversed by switching the circular polarization. This suggests that the observed terahertz radiation originates from the subpicosecond spin-polarized photocurrents, which are generated by the asymmetric depopulation of the Dirac state. Our result provides a way for the current-induced terahertz radiation and its phase control by the circular polarization of incident light without external electric fields.

Electrical manipulation of dynamic magnetic impurity and spin texture of helical Dirac fermions

NASA Astrophysics Data System (ADS)

Wang, Rui-Qiang; Zhong, Min; Zheng, Shi-Han; Yang, Mou; Wang, Guang-Hui

2016-05-01

We have theoretically investigated the spin inelastic scattering of helical electrons off a high-spin nanomagnet absorbed on a topological surface. The nanomagnet is treated as a dynamic quantum spin and driven by the spin transfer torque effect. We proposed a mechanism to electrically manipulate the spin texture of helical Dirac fermions rather than by an external magnetic field. By tuning the bias voltage and the direction of impurity magnetization, we present rich patterns of spin texture, from which important fingerprints exclusively associated with the spin helical feature are obtained. Furthermore, it is found that the nonmagnetic potential can create the resonance state in the spin density with different physics as the previously reported resonance of charge density.

Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn2 and ZrV2

NASA Astrophysics Data System (ADS)

Huang, Mei-Chun; Jansen, H. J. F.; Freeman, A. J.

1988-03-01

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn2 and ZrV2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at EF in ZnZr2. The most important difference between the materials ZrZn2 and ZrV2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter μsp. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr2.

Spin wave scattering and interference in ferromagnetic cross

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

Nanayakkara, Kasuni; Kozhanov, Alexander; Center for Nano Optics, Georgia State University, Atlanta, Georgia 30303

2015-10-28

Magnetostatic spin wave scattering and interference across a CoTaZr ferromagnetic spin wave waveguide cross junction were investigated experimentally and by micromagnetic simulations. It is observed that the phase of the scattered waves is dependent on the wavelength, geometry of the junction, and scattering direction. It is found that destructive and constructive interference of the spin waves generates switching characteristics modulated by the input phase of the spin waves. Micromagnetic simulations are used to analyze experimental data and simulate the spin wave scattering and interference.

Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

PubMed

Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

2018-02-14

We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

Theory of nonreciprocal spin-wave excitations in spin Hall oscillators with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Zivieri, R.; Giordano, A.; Verba, R.; Azzerboni, B.; Carpentieri, M.; Slavin, A. N.; Finocchio, G.

2018-04-01

A two-dimensional analytical model for the description of the excitation of nonreciprocal spin waves by spin current in spin Hall oscillators in the presence of the interfacial Dzyaloshinskii-Moriya interaction (i -DMI) is developed. The theory allows one to calculate the threshold current for the excitation of spin waves, as well as the frequencies and spatial profiles of the excited spin-wave modes. It is found that the frequency of the excited spin waves exhibits a quadratic redshift with the i -DMI strength. At the same time, in the range of small and moderate values of the i -DMI constant, the averaged wave number of the excited spin waves is almost independent of the i -DMI, which results in a rather weak dependence on the i -DMI of the threshold current of the spin-wave excitation. The obtained analytical results are confirmed by the results of micromagnetic simulations.

Spin wave nonreciprocity for logic device applications

NASA Astrophysics Data System (ADS)

Jamali, Mahdi; Kwon, Jae Hyun; Seo, Soo-Man; Lee, Kyung-Jin; Yang, Hyunsoo

2013-11-01

The utilization of spin waves as eigenmodes of the magnetization dynamics for information processing and communication has been widely explored recently due to its high operational speed with low power consumption and possible applications for quantum computations. Previous proposals of spin wave Mach-Zehnder devices were based on the spin wave phase, a delicate entity which can be easily disrupted. Here, we propose a complete logic system based on the spin wave amplitude utilizing the nonreciprocal spin wave behavior excited by microstrip antennas. The experimental data reveal that the nonreciprocity of magnetostatic surface spin wave can be tuned by the bias magnetic field. Furthermore, engineering of the device structure could result in a high nonreciprocity factor for spin wave logic applications.

Spin wave nonreciprocity for logic device applications

PubMed Central

Jamali, Mahdi; Kwon, Jae Hyun; Seo, Soo-Man; Lee, Kyung-Jin; Yang, Hyunsoo

2013-01-01

The utilization of spin waves as eigenmodes of the magnetization dynamics for information processing and communication has been widely explored recently due to its high operational speed with low power consumption and possible applications for quantum computations. Previous proposals of spin wave Mach-Zehnder devices were based on the spin wave phase, a delicate entity which can be easily disrupted. Here, we propose a complete logic system based on the spin wave amplitude utilizing the nonreciprocal spin wave behavior excited by microstrip antennas. The experimental data reveal that the nonreciprocity of magnetostatic surface spin wave can be tuned by the bias magnetic field. Furthermore, engineering of the device structure could result in a high nonreciprocity factor for spin wave logic applications. PMID:24196318

Ab Initio Theory of Nuclear Magnetic Resonance Shifts in Metals

NASA Astrophysics Data System (ADS)

D'Avezac, Mayeul; Marzari, Nicola; Mauri, Francesco

2005-03-01

A comprehensive approach for the first-principles determination of all-electron NMR shifts in metallic systems is presented. Our formulation is based on a combination of density-functional perturbation theory and all-electron wavefunction reconstruction, starting from periodic-boundary calculations in the pseudopotential approximation. The orbital contribution to the NMR shift (the chemical shift) is obtained by combining the gauge-including projector augmented-wave approach (GIPAW), originally developed for the case of insulatorsootnotetextC. J. Pickard, Francesco Mauri, Phys. Rev. B, 63, 245101(2001), with the extension of linear-response theory to the case of metallic systemsootnotetextS. de Gironcoli, Phys. Rev. B, 51, 6773(1995). The spin contribution (the Knight shift) is obtained as a response to a finite uniform magnetic field, and through reconstructing the hyperfine interaction between the electron-spin density and the nuclear spins with the projector augmented-wave method (PAWootnotetextC. G. Van de Walle, P. E. Blöchl, Phys. Rev. B, 47, 4244(1993)). Our method is validated with applications to the case of the homogeneous electron gas and of simple metals. (Work supported by MURI grant DAAD 19-03-1-0169 and MIT-France)

Novel Feshbach resonances in a ^40K spin-mixture

NASA Astrophysics Data System (ADS)

Walraven, J. T. M.; Ludewig, A.; Tiecke, T. G.

2010-03-01

We present experimental results on novel s-wave Feshbach resonances in ^40K spin-mixtures. Using an extended version of the Asymptotic Bound-state Model (ABM) [1] we predict Feshbach resonances with more promising characteristics than the commonly used resonances in the (|F,mF>) |9/2,-9/2>+|9/2,-7/2> and |9/2,-9/2>+|9/2,-5/2> spin mixtures. We report on an s-wave resonance in the |9/2,-5/2>+|9/2,-3/2> mixture. We have experimentally observed the corresponding loss-feature at B0˜178 G with a width of ˜10G. This resonance is promising due to its large predicted width and the absence of an overlapping p-wave resonance. We present our recent results on measurements of the resonance width and the stability of the system around this and other observed s-wave and p-wave resonances. [4pt] [1] T.G. Tiecke, et al., Phys. Rev. Lett. 104, 053202 (2010).

Quantum oscillations in a biaxial pair density wave state.

PubMed

Norman, M R; Davis, J C Séamus

2018-05-22

There has been growing speculation that a pair density wave state is a key component of the phenomenology of the pseudogap phase in the cuprates. Recently, direct evidence for such a state has emerged from an analysis of scanning tunneling microscopy data in halos around the vortex cores. By extrapolation, these vortex halos would then overlap at a magnetic-field scale where quantum oscillations have been observed. Here, we show that a biaxial pair density wave state gives a unique description of the quantum oscillation data, bolstering the case that the pseudogap phase in the cuprates may be a pair density wave state. Copyright © 2018 the Author(s). Published by PNAS.

Spin squeezing as an indicator of quantum chaos in the Dicke model.

PubMed

Song, Lijun; Yan, Dong; Ma, Jian; Wang, Xiaoguang

2009-04-01

We study spin squeezing, an intrinsic quantum property, in the Dicke model without the rotating-wave approximation. We show that the spin squeezing can reveal the underlying chaotic and regular structures in phase space given by a Poincaré section, namely, it acts as an indicator of quantum chaos. Spin squeezing vanishes after a very short time for an initial coherent state centered in a chaotic region, whereas it persists over a longer time for the coherent state centered in a regular region of the phase space. We also study the distribution of the mean spin directions when quantum dynamics takes place. Finally, we discuss relations among spin squeezing, bosonic quadrature squeezing, and two-qubit entanglement in the dynamical processes.

A momentum-space formulation without partial wave decomposition for scattering of two spin-half particles

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

Fachruddin, Imam, E-mail: imam.fachruddin@sci.ui.ac.id; Salam, Agus

2016-03-11

A new momentum-space formulation for scattering of two spin-half particles, both either identical or unidentical, is formulated. As basis states the free linear-momentum states are not expanded into the angular-momentum states, the system’s spin states are described by the product of the spin states of the two particles, and the system’s isospin states by the total isospin states of the two particles. We evaluate the Lippmann-Schwinger equations for the T-matrix elements in these basis states. The azimuthal behavior of the potential and of the T-matrix elements leads to a set of coupled integral equations for the T-matrix elements in twomore » variables only, which are the magnitude of the relative momentum and the scattering angle. Some symmetry relations for the potential and the T-matrix elements reduce the number of the integral equations to be solved. A set of six spin operators to express any interaction of two spin-half particles is introduced. We show the spin-averaged differential cross section as being calculated in terms of the solution of the set of the integral equations.« less

Thermal Transport in Nd-doped CeCoIn5

NASA Astrophysics Data System (ADS)

Kim, Duk Y.; Lin, Shi-Zeng; Weickert, Franziska; Rosa, P. F. S.; Bauer, Eric D.; Ronning, Filip; Thompson, J. D.; Movshovich, Roman

Heavy-fermion superconductor CeCoIn5 shows spin-density-wave (SDW) magnetic order in its superconducting state when a high magnetic field is applied. In this Q-phase, the antiferromagnetic order has a single ordering wave vector, and switches its orientation very sharply as magnetic field is rotated within the ab -plane around the [100] (anti-nodal) direction. This hypersensitivity induces a sharp jump of the thermal conductivity. Recently, the SDW with the same ordering wave vector was observed in Nd-doped CeCoIn5 in zero magnetic field. We have measured the thermal conductivity of 5% Nd-doped CeCoIn5 in the magnetic field rotating within the ab -plane. The anisotropy is significantly smaller in the doped material, and the switching transition is much broader. The superconducting transition near Hc 2 is first order, as for the pure CeCoIn5, which indicates the Pauli limited superconductivity. We gratefully acknowledge the support of the U.S. Department of Energy through the LANL/LDRD Program.

Interaction of pulsating and spinning waves in condensed phase combustion

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

Booty, M.R.; Margolis, S.B.; Matkowsky, B.J.

1986-10-01

The authors employ a nonlinear stability analysis in the neighborhood of a multiple bifurcation point to describe the interaction of pulsating and spinning modes of condensed phase combustion. Such phenomena occur in the synthesis of refractory materials. In particular, they consider the propagation of combustion waves in a long thermally insulated cylindrical sample and show that steady, planar combustion is stable for a modified activation energy/melting parameter less than a critical value. Above this critical value primary bifurcation states, corresponding to time-periodic pulsating and spinning modes of combustion, emanate from the steadily propagating solution. By varying the sample radius, themore » authors split a multiple bifurcation point to obtain bifurcation diagrams which exhibit secondary, tertiary, and quarternary branching to various types of quasi-periodic combustion waves.« less

Manipulation of a Nuclear Spin by a Magnetic Domain Wall in a Quantum Hall Ferromagnet.

PubMed

Korkusinski, M; Hawrylak, P; Liu, H W; Hirayama, Y

2017-03-06

The manipulation of a nuclear spin by an electron spin requires the energy to flip the electron spin to be vanishingly small. This can be realized in a many electron system with degenerate ground states of opposite spin polarization in different Landau levels. We present here a microscopic theory of a domain wall between spin unpolarized and spin polarized quantum Hall ferromagnet states at filling factor two with the Zeeman energy comparable to the cyclotron energy. We determine the energies and many-body wave functions of the electronic quantum Hall droplet with up to N = 80 electrons as a function of the total spin, angular momentum, cyclotron and Zeeman energies from the spin singlet ν = 2 phase, through an intermediate polarization state exhibiting a domain wall to the fully spin-polarized phase involving the lowest and the second Landau levels. We demonstrate that the energy needed to flip one electron spin in a domain wall becomes comparable to the energy needed to flip the nuclear spin. The orthogonality of orbital electronic states is overcome by the many-electron character of the domain - the movement of the domain wall relative to the position of the nuclear spin enables the manipulation of the nuclear spin by electrical means.

Manipulation of a Nuclear Spin by a Magnetic Domain Wall in a Quantum Hall Ferromagnet

PubMed Central

Korkusinski, M.; Hawrylak, P.; Liu, H. W.; Hirayama, Y.

2017-01-01

The manipulation of a nuclear spin by an electron spin requires the energy to flip the electron spin to be vanishingly small. This can be realized in a many electron system with degenerate ground states of opposite spin polarization in different Landau levels. We present here a microscopic theory of a domain wall between spin unpolarized and spin polarized quantum Hall ferromagnet states at filling factor two with the Zeeman energy comparable to the cyclotron energy. We determine the energies and many-body wave functions of the electronic quantum Hall droplet with up to N = 80 electrons as a function of the total spin, angular momentum, cyclotron and Zeeman energies from the spin singlet ν = 2 phase, through an intermediate polarization state exhibiting a domain wall to the fully spin-polarized phase involving the lowest and the second Landau levels. We demonstrate that the energy needed to flip one electron spin in a domain wall becomes comparable to the energy needed to flip the nuclear spin. The orthogonality of orbital electronic states is overcome by the many-electron character of the domain - the movement of the domain wall relative to the position of the nuclear spin enables the manipulation of the nuclear spin by electrical means. PMID:28262758

The Unified Radio and Plasma wave investigation

NASA Technical Reports Server (NTRS)

Stone, R. G.; Bougeret, J. L.; Caldwell, J.; Canu, P.; De Conchy, Y.; Cornilleau-Wehrlin, N.; Desch, M. D.; Fainberg, J.; Goetz, K.; Goldstein, M. L.

1992-01-01

The scientific objectives of the Ulysses Unified Radio and Plasma wave (URAP) experiment are twofold: (1) the determination of the direction, angular size, and polarization of radio sources for remote sensing of the heliosphere and the Jovian magnetosphere and (2) the detailed study of local wave phenomena, which determine the transport coefficients of the ambient plasma. A brief discussion of the scientific goals of the experiment is followed by a comprehensive description of the instrument. The URAP sensors consist of a 72.5 m electric field antenna in the spin plane, a 7.5-m electric field monopole along the spin axis of a pair of orthogonal search coil magnetic antennas. The various receivers, designed to encompass specific needs of the investigation, cover the frequency range from dc to 1 MHz. A relaxation sounder provides very accurate electron density measurements. Radio and plasma wave observations are shown to demonstrate the capabilities and limitations of the URAP instruments: radio observations include solar bursts, auroral kilometric radiation, and Jovian bursts; plasma waves include Langmuir waves, ion acousticlike noise, and whistlers.

Dimensionality Effects in FeGe 2 Nanowires: Enhanced Anisotropic Magnetization and Anomalous Electrical Transport

DOE PAGES

Mandrus, D.; Gai, Zheng; Ward, Thomas Zac; ...

2017-08-02

Here, we report the synthesis of single-crystal iron germanium nanowires via chemical vapor deposition without the assistance of any catalysts. The assembly of single-crystal FeGe 2 nanowires with tetragonal C16 crystal structure shows anisotropic magnetic behavior along the radial direction or the growth axial direction, with both antiferromagnetic and ferromagnetic orders. Single FeGe 2 nanowire devices were fabricated using e-beam lithography. Electronic transport measurement in these devices show two resistivity anomalies near 250 K and 200 K which are likely signatures of the two spin density wave states in FeGe 2.

Dimensionality Effects in FeGe 2 Nanowires: Enhanced Anisotropic Magnetization and Anomalous Electrical Transport

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

Mandrus, D.; Gai, Zheng; Ward, Thomas Zac

Here, we report the synthesis of single-crystal iron germanium nanowires via chemical vapor deposition without the assistance of any catalysts. The assembly of single-crystal FeGe 2 nanowires with tetragonal C16 crystal structure shows anisotropic magnetic behavior along the radial direction or the growth axial direction, with both antiferromagnetic and ferromagnetic orders. Single FeGe 2 nanowire devices were fabricated using e-beam lithography. Electronic transport measurement in these devices show two resistivity anomalies near 250 K and 200 K which are likely signatures of the two spin density wave states in FeGe 2.

Ensemble Density Functional Approach to the Quantum Hall Effect

NASA Astrophysics Data System (ADS)

Heinonen, O.

1997-03-01

The fractional quantum Hall effect (FQHE) occurs in a two-dimensional electron gas of density n when a strong magnetic field perpendicular to the plane of the electron gas takes on certain strengths B(n). At these magnetic field strengths the system is incompressible, i.e., there is a finite cost in energy for creating charge density fluctuations in the bulk. Even so the boundary of the electron gas supports gapless modes of density waves. The bulk energy gap arises because of the strong electron-electron interactions. There are very good models for infinite homogeneous systems and for the gapless excitations of the boundary of the electron gas. But in order to explain experiments on quantum Hall systems, including Hall bars and quantum dots, new approaches are needed which can accurately describe inhomogeneous systems, including Landau level mixing and the spin degree of freedom. One possibility is an ensemble density functional theory approach that we have developed.(O. Heinonen, M.I. Lubin, and M.D. Johnson, Phys. Rev. Lett. 75), 4110 (1995)(O. Heinonen, M.I. Lubin, and M.D. Johnson, Int. J. Quant. Chem, December 1996) We have applied this to study edge reconstructions of spin-polarized quantum dots. The results for a six-electron test case are in excellent agreement with numerical diagonalizations. For larger systems, compressible and incompressible strips appear as the magnetic field is increased from the region in which a dot forms a compact so-called maximum density droplet. We have recently included spin degree of freedom to study the stability of a maximum density droplet, and charge-spin textures in inhomogeneous systems. As an example, when the Zeeman coupling is decreased, we find that the maximum density droplet develops a spin-structured edge instability. This implies that the spin degree of freedom may play a significant role in the study of edge modes at low or moderate magnetic fields.

Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases.

PubMed

Zhou, Tao; Gao, Yi; Wang, Z D

2014-06-11

We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally.

Spin switch in iron phthalocyanine on Au(111) surface by hydrogen adsorption

NASA Astrophysics Data System (ADS)

Wang, Yu; Li, Xiaoguang; Zheng, Xiao; Yang, Jinlong

2017-10-01

The manipulation of spin states at the molecular scale is of fundamental importance for the development of molecular spintronic devices. One of the feasible approaches for the modification of a molecular spin state is through the adsorption of certain specific atoms or molecules including H, NO, CO, NH3, and O2. In this paper, we demonstrate that the local spin state of an individual iron phthalocyanine (FePc) molecule adsorbed on an Au(111) surface exhibits controllable switching by hydrogen adsorption, as evidenced by using first-principles calculations based on density functional theory. Our theoretical calculations indicate that different numbers of hydrogen adsorbed at the pyridinic N sites of the FePc molecule largely modify the structural and electronic properties of the FePc/Au(111) composite by forming extra N-H bonds. In particular, the adsorption of one or up to three hydrogen atoms induces a redistribution of charge (spin) density within the FePc molecule, and hence a switching to a low spin state (S = 1/2) from an intermediate spin state (S = 1) is achieved, while the adsorption of four hydrogen atoms distorts the molecular conformation by increasing Fe-N bond lengths in FePc and thus breaks the ligand field exerted on the Fe 3d orbitals via stronger hybridization with the substrate, leading to an opposite switching to a high-spin state (S = 2). These findings obtained from the theoretical simulations could be useful for experimental manipulation or design of single-molecule spintronic devices.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

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

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

NASA Astrophysics Data System (ADS)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-01

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

PubMed

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-28

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Electronic, magnetic properties and phase diagrams of system with Fe4N compound: An ab initio calculations and Monte Carlo study

NASA Astrophysics Data System (ADS)

Masrour, R.; Jabar, A.; Hlil, E. K.

2018-05-01

Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate the electronic and magnetic properties of the Fe4N compound. Polarized spin and spin-orbit coupling are included in calculations within the framework of the ferromagnetic state between Fe(I) and Fe(II) in Fe4N compound. We have used the obtained data from abinitio calculations as an input in Monte Carlo simulation to calculate the magnetic properties of this compounds such as the ground state phase diagrams, total and partial magnetization of Fe(I) and Fe(II) as well as the transition temperatures are computed. The variation of magnetization with the crystal field are also studied. The magnetic hysteresis cycle of the same Fe4N compound are determined for different values of temperatures and crystal field values. The two-step hysteresis loop are evidenced, which is typical for Fe4N structure. The ferromagnetic and superparamagnetic phase is observed as well.

Microscopic observation of magnon bound states and their dynamics.

PubMed

Fukuhara, Takeshi; Schauß, Peter; Endres, Manuel; Hild, Sebastian; Cheneau, Marc; Bloch, Immanuel; Gross, Christian

2013-10-03

The existence of bound states of elementary spin waves (magnons) in one-dimensional quantum magnets was predicted almost 80 years ago. Identifying signatures of magnon bound states has so far remained the subject of intense theoretical research, and their detection has proved challenging for experiments. Ultracold atoms offer an ideal setting in which to find such bound states by tracking the spin dynamics with single-spin and single-site resolution following a local excitation. Here we use in situ correlation measurements to observe two-magnon bound states directly in a one-dimensional Heisenberg spin chain comprising ultracold bosonic atoms in an optical lattice. We observe the quantum dynamics of free and bound magnon states through time-resolved measurements of two spin impurities. The increased effective mass of the compound magnon state results in slower spin dynamics as compared to single-magnon excitations. We also determine the decay time of bound magnons, which is probably limited by scattering on thermal fluctuations in the system. Our results provide a new way of studying fundamental properties of quantum magnets and, more generally, properties of interacting impurities in quantum many-body systems.

Design of Transverse Spinning of Light with Globally Unique Handedness

NASA Astrophysics Data System (ADS)

Piao, Xianji; Yu, Sunkyu; Park, Namkyoo

2018-05-01

Access to the transverse spin of light has unlocked new regimes in topological photonics. To achieve the transverse spin from nonzero longitudinal fields, various platforms that derive transversely confined waves based on focusing, interference, or evanescent waves have been suggested. Nonetheless, because of the transverse confinement inherently accompanying sign reversal of the field derivative, the resulting transverse spin handedness of each field experiences spatial inversion, which leads to a mismatch between the intensities of the field and its spin component and hinders the global observation of the transverse spin. Here, we reveal a globally pure transverse spin of the electric field in which the field intensity signifies the spin distribution. Starting from the target spin mode for the inverse design of required spatial profiles of anisotropic permittivities, we show that the elliptic-hyperbolic transition around the epsilon-near-zero permittivity allows for the global conservation of transverse spin handedness of the electric field across the topological interface between anisotropic metamaterials. Extending to the non-Hermitian regime, we develop annihilated transverse spin modes to cover the entire Poincaré sphere of the meridional plane. This result realizes the complete optical analogy of three-dimensional quantum spin states.

Giant interfacial perpendicular magnetic anisotropy in Fe/CuIn 1 -xGaxSe2 beyond Fe/MgO

NASA Astrophysics Data System (ADS)

Masuda, Keisuke; Kasai, Shinya; Miura, Yoshio; Hono, Kazuhiro

2017-11-01

We study interfacial magnetocrystalline anisotropies in various Fe/semiconductor heterostructures by means of first-principles calculations. We find that many of those systems show perpendicular magnetic anisotropy (PMA) with a positive value of the interfacial anisotropy constant Ki. In particular, the Fe/CuInSe 2 interface has a large Ki of ˜2.3 mJ /m2 , which is about 1.6 times larger than that of Fe/MgO known as a typical system with relatively large PMA. We also find that the values of Ki in almost all the systems studied in this work follow the well-known Bruno's relation, which indicates that minority-spin states around the Fermi level provide dominant contributions to the interfacial magnetocrystalline anisotropies. Detailed analyses of the local density of states and wave-vector-resolved anisotropy energy clarify that the large Ki in Fe/CuInSe 2 is attributed to the preferable 3 d -orbital configurations around the Fermi level in the minority-spin states of the interfacial Fe atoms. Moreover, we have shown that the locations of interfacial Se atoms are the key for such orbital configurations of the interfacial Fe atoms.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Vlijm, R.; Ganahl, M.; Fioretto, D.; Brockmann, M.; Haque, M.; Evertz, H. G.; Caux, J.-S.

2015-12-01

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time-evolution fits on the displacements. The time-evolved block decimation algorithm allows for the study of scattering displacements from spin-block states, showing similar scattering displacement features.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Fioretto, Davide; Vljim, Rogier; Ganahl, Martin; Brockmann, Michael; Haque, Masud; Evertz, Hans-Gerd; Caux, Jean-Sébastien

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time evolution fits on the displacements. The TEBD algorithm allows for the study of scattering displacements from spin-block states, showing similar displacement scattering features.

Spin excitations used to probe the nature of exchange coupling in the magnetically ordered ground state of Pr 0.5 Ca 0.5 MnO 3

DOE PAGES

Ewings, R. A.; Perring, T. G.; Sikora, O.; ...

2016-07-06

We have used time-of-flight inelastic neutron scattering to measure the spin wave spectrum of the canonical half-doped manganite Pr 0.5Ca 0.5MnO 3 in its magnetic and orbitally ordered phase. Comparison of the data, which cover multiple Brillouin zones and the entire energy range of the excitations, with several different models shows that only the CE-type ordered state provides an adequate description of the magnetic ground state, provided interactions beyond nearest neighbor are included. We are able to rule out a ground state in which there exist pairs of dimerized spins which interact only with their nearest neighbors. The Zener polaronmore » ground state, which comprises strongly bound magnetic dimers, can be ruled out on the basis of gross features of the observed spin wave spectrum. A model with weaker dimerization reproduces the observed dispersion but can be ruled out on the basis of subtle discrepancies between the calculated and observed structure factors at certain positions in reciprocal space. Adding further neighbor interactions results in almost no dimerization, i.e. interpolating back to the CE model. These results are consistent with theoretical analysis of the degenerate double exchange model for half-doping.« less

Magnitude of the magnetic exchange interaction in the heavy-fermion antiferromagnet CeRhIn 5

DOE PAGES

Das, Pinaki; Lin, S. -Z.; Ghimire, N. J.; ...

2014-12-08

We have used high-resolution neutron spectroscopy experiments to determine the complete spin wave spectrum of the heavy-fermion antiferromagnet CeRhIn₅. The spin wave dispersion can be quantitatively reproduced with a simple frustrated J₁-J₂ model that also naturally explains the magnetic spin-spiral ground state of CeRhIn₅ and yields a dominant in-plane nearest-neighbor magnetic exchange constant J₀=0.74(3) meV. Our results lead the way to a quantitative understanding of the rich low-temperature phase diagram of the prominent CeTIn₅ (T = Co, Rh, Ir) class of heavy-fermion materials.

Long lifetime and high-fidelity quantum memory of photonic polarization qubit by lifting zeeman degeneracy.

PubMed

Xu, Zhongxiao; Wu, Yuelong; Tian, Long; Chen, Lirong; Zhang, Zhiying; Yan, Zhihui; Li, Shujing; Wang, Hai; Xie, Changde; Peng, Kunchi

2013-12-13

Long-lived and high-fidelity memory for a photonic polarization qubit (PPQ) is crucial for constructing quantum networks. We present a millisecond storage system based on electromagnetically induced transparency, in which a moderate magnetic field is applied on a cold-atom cloud to lift Zeeman degeneracy and, thus, the PPQ states are stored as two magnetic-field-insensitive spin waves. Especially, the influence of magnetic-field-sensitive spin waves on the storage performances is almost totally avoided. The measured average fidelities of the polarization states are 98.6% at 200  μs and 78.4% at 4.5 ms, respectively.

First-order chiral to non-chiral transition in the angular dependence of the upper critical induction of the Scharnberg-Klemm p-wave pair state

NASA Astrophysics Data System (ADS)

Klemm, Richard; Zhang, Jingchuan; Lorscher, Christopher; Gu, Qiang

2014-03-01

We calculate the temperature T and angular (θ , ϕ) dependence of the upper critical induction Bc 2(θ , ϕ , T) for parallel-spin superconductors with an axially symmetric p-wave pairing interaction pinned to the lattice and a dominant ellipsoidal Fermi surface (FS). When both parallel-spin states are allowed, the chiral Scharnberg-Klemm state Bc 2(θ , ϕ , T) exceeds that of the chiral Anderson-Brinkman-Morel state for all FS anisotropies, and exhibits a kink at θ =θ*(T , ϕ) , indicative of a first-order transition from its chiral, nodal-direction behavior to its non-chiral, antinodal-direction behavior. Potential applicability to Sr2RuO4, UCoGe, and topological superconductors is discussed.

Rigid rotators. [deriving the time-independent energy states associated with rotational motions of the molecule

NASA Technical Reports Server (NTRS)

1976-01-01

The two-particle, steady-state Schroedinger equation is transformed to center of mass and internuclear distance vector coordinates, leading to the free particle wave equation for the kinetic energy motion of the molecule and a decoupled wave equation for a single particle of reduced mass moving in a spherical potential field. The latter describes the vibrational and rotational energy modes of the diatomic molecule. For fixed internuclear distance, this becomes the equation of rigid rotator motion. The classical partition function for the rotator is derived and compared with the quantum expression. Molecular symmetry effects are developed from the generalized Pauli principle that the steady-state wave function of any system of fundamental particles must be antisymmetric. Nuclear spin and spin quantum functions are introduced and ortho- and para-states of rotators, along with their degeneracies, are defined. Effects of nuclear spin on entropy are deduced. Next, rigid polyatomic rotators are considered and the partition function for this case is derived. The patterns of rotational energy levels for nonlinear molecules are discussed for the spherical symmetric top, for the prolate symmetric top, for the oblate symmetric top, and for the asymmetric top. Finally, the equilibrium energy and specific heat of rigid rotators are derived.

The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains

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

Fertitta, Edoardo; Paulus, Beate; El Khatib, Muammar

2015-12-28

The spin partition of the Total Position-Spread (TPS) tensor has been performed for one-dimensional Heisenberg chains with open boundary conditions. Both the cases of a ferromagnetic (high-spin) and an anti-ferromagnetic (low-spin) ground-state have been considered. In the case of a low-spin ground-state, the use of alternating magnetic couplings allowed to investigate the effect of spin-pairing. The behavior of the spin-partitioned TPS (SP-TPS) tensor as a function of the number of sites turned to be closely related to the presence of an energy gap between the ground-state and the first excited-state at the thermodynamic limit. Indeed, a gapped energy spectrum ismore » associated to a linear growth of the SP-TPS tensor with the number of sites. On the other hand, in gapless situations, the spread presents a faster-than-linear growth, resulting in the divergence of its per-site value. Finally, for the case of a high-spin wave function, an analytical expression of the dependence of the SP-TPS on the number of sites n and the total spin-projection S{sub z} has been derived.« less

Adsorption and dissociation of molecular oxygen on α-Pu (0 2 0) surface: A density functional study

NASA Astrophysics Data System (ADS)

Wang, Jianguang; Ray, Asok K.

2011-09-01

Molecular and dissociative oxygen adsorptions on the α-Pu (0 2 0) surface have been systematically studied using the full-potential linearized augmented-plane-wave plus local orbitals (FP-LAPW+lo) basis method and the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. Chemisorption energies have been optimized for the distance of the admolecule from the Pu surface and the bond length of O-O atoms for four adsorption sites and three approaches of O 2 admolecule to the (0 2 0) surface. Chemisorption energies have been calculated at the scalar relativistic level with no spin-orbit coupling (NSOC) and at the fully relativistic level with spin-orbit coupling (SOC). Dissociative adsorptions are found at the two horizontal approaches (O 2 is parallel to the surface and perpendicular/parallel to a lattice vector). Hor2 (O 2 is parallel to the surface and perpendicular to a lattice vector) approach at the one-fold top site is the most stable adsorption site, with chemisorption energies of 8.048 and 8.415 eV for the NSOC and SOC cases, respectively, and an OO separation of 3.70 Å. Molecular adsorption occurs at the Vert (O 2 is vertical to the surface) approach of each adsorption site. The calculated work functions and net spin magnetic moments, respectively, increase and decrease in all cases upon chemisorption compared to the clean surface. The partial charges inside the muffin-tins, the difference charge density distributions, and the local density of states have been used to investigate the Pu-admolecule electronic structures and bonding mechanisms.

Toward nonlinear magnonics: Intensity-dependent spin-wave switching in insulating side-coupled magnetic stripes

NASA Astrophysics Data System (ADS)

Sadovnikov, A. V.; Odintsov, S. A.; Beginin, E. N.; Sheshukova, S. E.; Sharaevskii, Yu. P.; Nikitov, S. A.

2017-10-01

We demonstrate that the nonlinear spin-wave transport in two laterally parallel magnetic stripes exhibit the intensity-dependent power exchange between the adjacent spin-wave channels. By the means of Brillouin light scattering technique, we investigate collective nonlinear spin-wave dynamics in the presence of magnetodipolar coupling. The nonlinear intensity-dependent effect reveals itself in the spin-wave mode transformation and differential nonlinear spin-wave phase shift in each adjacent magnetic stripe. The proposed analytical theory, based on the coupled Ginzburg-Landau equations, predicts the geometry design involving the reduction of power requirement to the all-magnonic switching. A very good agreement between calculation and experiment was found. In addition, a micromagnetic and finite-element approach has been independently used to study the nonlinear behavior of spin waves in adjacent stripes and the nonlinear transformation of spatial profiles of spin-wave modes. Our results show that the proposed spin-wave coupling mechanism provides the basis for nonlinear magnonic circuits and opens the perspectives for all-magnonic computing architecture.

Generalized extended Navier-Stokes theory: multiscale spin relaxation in molecular fluids.

PubMed

Hansen, J S

2013-09-01

This paper studies the relaxation of the molecular spin angular velocity in the framework of generalized extended Navier-Stokes theory. Using molecular dynamics simulations, it is shown that for uncharged diatomic molecules the relaxation time decreases with increasing molecular moment of inertia per unit mass. In the regime of large moment of inertia the fast relaxation is wave-vector independent and dominated by the coupling between spin and the fluid streaming velocity, whereas for small inertia the relaxation is slow and spin diffusion plays a significant role. The fast wave-vector-independent relaxation is also observed for highly packed systems. The transverse and longitudinal spin modes have, to a good approximation, identical relaxation, indicating that the longitudinal and transverse spin viscosities have same value. The relaxation is also shown to be isomorphic invariant. Finally, the effect of the coupling in the zero frequency and wave-vector limit is quantified by a characteristic length scale; if the system dimension is comparable to this length the coupling must be included into the fluid dynamical description. It is found that the length scale is independent of moment of inertia but dependent on the state point.

Spin-transfer torque induced spin waves in antiferromagnetic insulators

DOE PAGES

Daniels, Matthew W.; Guo, Wei; Stocks, George Malcolm; ...

2015-01-01

We explore the possibility of exciting spin waves in insulating antiferromagnetic films by injecting spin current at the surface. We analyze both magnetically compensated and uncompensated interfaces. We find that the spin current induced spin-transfer torque can excite spin waves in insulating antiferromagnetic materials and that the chirality of the excited spin wave is determined by the polarization of the injected spin current. Furthermore, the presence of magnetic surface anisotropy can greatly increase the accessibility of these excitations.

Frustrated Magnetism of Dipolar Molecules on a Square Optical Lattice: Prediction of a Quantum Paramagnetic Ground State

NASA Astrophysics Data System (ADS)

Zou, Haiyuan; Zhao, Erhai; Liu, W. Vincent

2017-08-01

Motivated by the experimental realization of quantum spin models of polar molecule KRb in optical lattices, we analyze the spin 1 /2 dipolar Heisenberg model with competing anisotropic, long-range exchange interactions. We show that, by tilting the orientation of dipoles using an external electric field, the dipolar spin system on square lattice comes close to a maximally frustrated region similar, but not identical, to that of the J1-J2 model. This provides a simple yet powerful route to potentially realize a quantum spin liquid without the need for a triangular or kagome lattice. The ground state phase diagrams obtained from Schwinger-boson and spin-wave theories consistently show a spin disordered region between the Néel, stripe, and spiral phase. The existence of a finite quantum paramagnetic region is further confirmed by an unbiased variational ansatz based on tensor network states and a tensor renormalization group.

Finite-Momentum Dimer Bound State in Spin-Orbit Coupled Fermi Gas

NASA Astrophysics Data System (ADS)

Dong, Lin; Jiang, Lei; Hu, Hui; Pu, Han

2013-03-01

We investigate the two-body properties of a spin-1/2 Fermi gas subject to a spin-orbit coupling induced by laser fields. When attractive s-wave interaction between unlike spins is present, the system may form a dimer bound state. Surprisingly, under proper conditions, the bound state obtains finite center-of-mass momentum, whereas under the same condition but in the absence of the two-body interaction, the system has zero total momentum. This unusual result can be regarded as a consequence of the broken Galilean invariance by the spin-orbit coupling. Such a finite-momentum bound state will have profound effects on the many-body properties of the system. HP is supported by the NSF, the Welch Foundation (Grant No. C-1669), and DARPA. HH is supported by the ARC Discovery Projects (Grant No. DP0984522) and the National Basic Research Program of China (NFRP-China, Grant No. 2011CB921502).

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes.

PubMed

Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

2014-08-21

We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 10(4). When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 10(6).

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes

PubMed Central

Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

2014-01-01

We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 104. When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 106. PMID:25142376

Homogeneous microwave field emitted propagating spin waves: Direct imaging and modeling

NASA Astrophysics Data System (ADS)

Lohman, Mathis; Mozooni, Babak; McCord, Jeffrey

2018-03-01

We explore the generation of propagating dipolar spin waves by homogeneous magnetic field excitation in the proximity of the boundaries of magnetic microstructures. Domain wall motion, precessional dynamics, and propagating spin waves are directly imaged by time-resolved wide-field magneto-optical Kerr effect microscopy. The aspects of spin wave generation are clarified by micromagnetic calculations matching the experimental results. The region of dipolar spin wave formation is confined to the local resonant excitation due to non-uniform internal demagnetization fields at the edges of the patterned sample. Magnetic domain walls act as a border for the propagation of plane and low damped spin waves, thus restraining the spin waves within the individual magnetic domains. The findings are of significance for the general understanding of structural and configurational magnetic boundaries for the creation, the propagation, and elimination of spin waves.

A Quantum Electronics Approach to Optical Negative Index Metamaterials (NIMs): Homogeneous NIMs in the Solid State

DTIC Science & Technology

2012-03-12

index effect at ~ 27.8 µm. This effect was theoretically predicted earlier, and it is based on coexistence of the spin wave ( magnon ) mode with the...refractive index at ~ 150 GHz, based on analogous plasmon- magnon excitation mechanism. 2.1 Fabrication of Cr doped IO material system...film, that the non-magnetic film possesses no maximum in region 27-28 µm. Such behavior is expected, since the spin waves ( magnons ) which are

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

Yan, Qiang; Zhou, Liping, E-mail: zhoulp@suda.edu.cn; Cheng, Jue-Fei

Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz){sub 2} using density functional theory combined with non-equilibrium Green’s function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant rolesmore » in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.« less

Temperature Driven Topological Switch in 1T'-MoTe2 and Strain Induced Nematicity in NaFeAs

NASA Astrophysics Data System (ADS)

Berger, Ayelet Denise Notis

Quasiparticle interference (QPI) is a powerful technique within Scanning Tunneling Microscopy (STM) that is used to probe the electronic bandstructure of materials. This thesis presents two examples using QPI to measure the bandstructure in materials with exotic electronic states that can be tuned via outside parameters (temperature and strain). In Part I of the thesis, we discuss the temperature dependence of Fermi Arcs in 1T'-MoTe 2, and then in Part II, the strain dependent nematic state in NaFeAs. The recent discovery of Weyl semimetals has introduced a new family of materials with topologically protected electronic properties and potential applications due to their anomalous transport effects. Even more useful is a Weyl semimetal that can be turned "on" and "off," switching between a topological and trivial state. One possible material is MoTe2, which undergoes a phase transition at 240K. This thesis consists of experiments using Scanning Tunneling Microscopy (STM) and Spectroscopy (STS) at different temperatures to visualize changes in the electronic bandstructure of MoTe2 across the topological phase transition. We show that a signature of topologically protected Fermi Arcs is present at low temperatures but disappears at room temperature, in the trivial phase. We include an in-depth discussion of how to account for thermal effects when comparing these two types of measurements. In Part II, we discuss strain induced nematicity in NaFeAs, an iron pnictide. Nematic fluctuations and spin correlations play an important role in the phase diagram of the iron pnictides, a family of unconventional superconductors. Illuminating the mechanism behind this symmetry breaking is key to understanding the superconducting state. Previous work has shown that nematicity in the iron pnictides responds strongly to applied strain [1, 2]. In this thesis, I present results from a new experimental technique, elasto-scanning tunneling microscopy (E-STM), which combines in situ strain and atomic resolution STM/STS. For the first time, we are able to observe the effects of strain on nematicity at the local level. We perform E-STM measurements in both the spin density wave phase and the tetragonal phase of NaFeAs and measure a distinct response in each. We successfully use strain to manipulate domain boundaries in the spin density wave state and we find the intensity of nematic fluctuations is coupled to strain in NaFeAs in the tetragonal phase.

Tunable short-wavelength spin wave excitation from pinned magnetic domain walls

PubMed Central

Van de Wiele, Ben; Hämäläinen, Sampo J.; Baláž, Pavel; Montoncello, Federico; van Dijken, Sebastiaan

2016-01-01

Miniaturization of magnonic devices for wave-like computing requires emission of short-wavelength spin waves, a key feature that cannot be achieved with microwave antennas. In this paper, we propose a tunable source of short-wavelength spin waves based on highly localized and strongly pinned magnetic domain walls in ferroelectric-ferromagnetic bilayers. When driven into oscillation by a microwave spin-polarized current, the magnetic domain walls emit spin waves with the same frequency as the excitation current. The amplitude of the emitted spin waves and the range of attainable excitation frequencies depend on the availability of domain wall resonance modes. In this respect, pinned domain walls in magnetic nanowires are particularly attractive. In this geometry, spin wave confinement perpendicular to the nanowire axis produces a multitude of domain wall resonances enabling efficient spin wave emission at frequencies up to 100 GHz and wavelengths down to 20 nm. At high frequency, the emission of spin waves in magnetic nanowires becomes monochromatic. Moreover, pinning of magnetic domain wall oscillators onto the same ferroelectric domain boundary in parallel nanowires guarantees good coherency between spin wave sources, which opens perspectives towards the realization of Mach-Zehnder type logic devices and sensors. PMID:26883893

Cobalt spin states and hyperfine interactions in LaCoO3 investigated by LDA+U calculations

NASA Astrophysics Data System (ADS)

Hsu, Han; Blaha, Peter; Wentzcovitch, Renata M.; Leighton, C.

2010-09-01

With a series of local-density approximation plus Hubbard U calculations, we have demonstrated that for lanthanum cobaltite (LaCoO3) , the electric field gradient at the cobalt nucleus can be used as a fingerprint to identify the spin state of the cobalt ion. Therefore, in principle, the spin state of the cobalt ion can be unambiguously determined from nuclear magnetic resonance spectra. Our calculations also suggest that a crossover from the low-spin to intermediate-spin state in the temperature range of 0-90 K is unlikely, based on the half-metallic band structure associated with isolated IS Co ions, which is incompatible with the measured conductivity.

Chemical potential of quasi-equilibrium magnon gas driven by pure spin current.

PubMed

Demidov, V E; Urazhdin, S; Divinskiy, B; Bessonov, V D; Rinkevich, A B; Ustinov, V V; Demokritov, S O

2017-11-17

Pure spin currents provide the possibility to control the magnetization state of conducting and insulating magnetic materials. They allow one to increase or reduce the density of magnons, and achieve coherent dynamic states of magnetization reminiscent of the Bose-Einstein condensation. However, until now there was no direct evidence that the state of the magnon gas subjected to spin current can be treated thermodynamically. Here, we show experimentally that the spin current generated by the spin-Hall effect drives the magnon gas into a quasi-equilibrium state that can be described by the Bose-Einstein statistics. The magnon population function is characterized either by an increased effective chemical potential or by a reduced effective temperature, depending on the spin current polarization. In the former case, the chemical potential can closely approach, at large driving currents, the lowest-energy magnon state, indicating the possibility of spin current-driven Bose-Einstein condensation.

Spin injection and spin transport in paramagnetic insulators

DOE PAGES

Okamoto, Satoshi

2016-02-22

We investigate the spin injection and the spin transport in paramagnetic insulators described by simple Heisenberg interactions using auxiliary particle methods. Some of these methods allow access to both paramagnetic states above magnetic transition temperatures and magnetic states at low temperatures. It is predicted that the spin injection at an interface with a normal metal is rather insensitive to temperatures above the magnetic transition temperature. On the other hand below the transition temperature, it decreases monotonically and disappears at zero temperature. We also analyze the bulk spin conductance. We show that the conductance becomes zero at zero temperature as predictedmore » by linear spin wave theory but increases with temperature and is maximized around the magnetic transition temperature. These findings suggest that the compromise between the two effects determines the optimal temperature for spintronics applications utilizing magnetic insulators.« less

Valence and spin states of iron are invisible in Earth’s lower mantle

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

Liu, Jiachao; Dorfman, Susannah M.; Zhu, Feng

Heterogeneity in Earth’s mantle is a record of chemical and dynamic processes over Earth’s history. The geophysical signatures of heterogeneity can only be interpreted with quantitative constraints on effects of major elements such as iron on physical properties including density, compressibility, and electrical conductivity. However, deconvolution of the effects of multiple valence and spin states of iron in bridgmanite (Bdg), the most abundant mineral in the lower mantle, has been challenging. Here we show through a study of a ferric-iron-only (Mg 0.46Fe 3+0.53)(Si 0.49Fe 3+ 0.51)O 3 Bdg that Fe 3+ in the octahedral site undergoes a spin transition betweenmore » 43 and 53 GPa at 300 K. The resolved effects of the spin transition on density, bulk sound velocity, and electrical conductivity are smaller than previous estimations, consistent with the smooth depth profiles from geophysical observations. For likely mantle compositions, the valence state of iron has minor effects on density and sound velocities relative to major cation composition.« less

Valence and spin states of iron are invisible in Earth’s lower mantle

DOE PAGES

Liu, Jiachao; Dorfman, Susannah M.; Zhu, Feng; ...

2018-03-29

Heterogeneity in Earth’s mantle is a record of chemical and dynamic processes over Earth’s history. The geophysical signatures of heterogeneity can only be interpreted with quantitative constraints on effects of major elements such as iron on physical properties including density, compressibility, and electrical conductivity. However, deconvolution of the effects of multiple valence and spin states of iron in bridgmanite (Bdg), the most abundant mineral in the lower mantle, has been challenging. Here we show through a study of a ferric-iron-only (Mg 0.46Fe 3+0.53)(Si 0.49Fe 3+ 0.51)O 3 Bdg that Fe 3+ in the octahedral site undergoes a spin transition betweenmore » 43 and 53 GPa at 300 K. The resolved effects of the spin transition on density, bulk sound velocity, and electrical conductivity are smaller than previous estimations, consistent with the smooth depth profiles from geophysical observations. For likely mantle compositions, the valence state of iron has minor effects on density and sound velocities relative to major cation composition.« less

Theoretical study of triplet state properties of free-base porphin

NASA Astrophysics Data System (ADS)

Loboda, Oleksandr; Tunell, Ingvar; Minaev, Boris; Ågren, Hans

2005-06-01

This paper presents results and analysis of various properties of the triplet state of free-base porphin (FBP) as calculated by density-functional theory. The radiative lifetime of phosphorescence lines and microwave signals in optical detection of magnetic resonance (ODMR) spectra are obtained using the B3LYP hybrid density-functional and the quadratic response method. The zero-field splitting (ZFS) in the lowest triplet state, a3 B2u, of FBP is calculated as an expectation value of spin-spin coupling operator using the self-consistent field wavefunction. The second-order contribution to ZFS from the spin-orbit coupling operator is found to be almost negligible. The interpretation of the ODMR spectrum is completed by computing the hyperfine tensors of the 14N, 13C and hydrogen atoms in the lowest triplet state. The most intense phosphorescence emission corresponds to the Tz-spin-sublevel of the a3 B2u state, where the z-axis lies in the N-H direction of the FBP molecule in a qualitative agreement with ODMR data. The results indicate that the observed decay of the lowest triplet state of FBP molecule is determined by non-radiative deactivation. The calculated radiative rate constant for the Tz-spin-sublevel kz = 2.65 × 10-3 s-1 is in agreement with the value kz ≃ 2 × 10-3 s-1, estimated by van Dorp et al. [W. van Dorp, W. Schoemaker, M. Soma, J. van der Waals, Mol. Phys. 30 (1975) 1701] from kinetic analysis of microwave-induced fluorescent signals. The correct prediction of the spin quantization axis of the most active spin sublevel and of its radiative lifetime in the lowest triplet state of the FBP molecule is taken as a proof of capability of the quadratic response time-dependent density-functional theory.

Topological Magnonics: A Paradigm for Spin-Wave Manipulation and Device Design

NASA Astrophysics Data System (ADS)

Wang, X. S.; Zhang, H. W.; Wang, X. R.

2018-02-01

Conventional magnonic devices use magnetostatic waves whose properties are sensitive to device geometry and the details of magnetization structure, so the design and the scalability of the device or circuitry are difficult. We propose topological magnonics, in which topological exchange spin waves are used as information carriers, that do not suffer from conventional problems of magnonic devices with additional nice features of nanoscale wavelength and high frequency. We show that a perpendicularly magnetized ferromagnet on a honeycomb lattice is generically a topological magnetic material in the sense that topologically protected chiral edge spin waves exist in the band gap as long as a spin-orbit-induced nearest-neighbor pseudodipolar interaction (and/or a next-nearest-neighbor Dzyaloshinskii-Moriya interaction) is present. The edge spin waves propagate unidirectionally along sample edges and domain walls regardless of the system geometry and defects. As a proof of concept, spin-wave diodes, spin-wave beam splitters, and spin-wave interferometers are designed by using sample edges and domain walls to manipulate the propagation of topologically protected chiral spin waves. Since magnetic domain walls can be controlled by magnetic fields or electric current or fields, one can essentially draw, erase, and redraw different spin-wave devices and circuitry on the same magnetic plate so that the proposed devices are reconfigurable and tunable. The topological magnonics opens up an alternative direction towards a robust, reconfigurable and scalable spin-wave circuitry.

Resonant Tunneling Spin Pump

NASA Technical Reports Server (NTRS)

Ting, David Z.

2007-01-01

The resonant tunneling spin pump is a proposed semiconductor device that would generate spin-polarized electron currents. The resonant tunneling spin pump would be a purely electrical device in the sense that it would not contain any magnetic material and would not rely on an applied magnetic field. Also, unlike prior sources of spin-polarized electron currents, the proposed device would not depend on a source of circularly polarized light. The proposed semiconductor electron-spin filters would exploit the Rashba effect, which can induce energy splitting in what would otherwise be degenerate quantum states, caused by a spin-orbit interaction in conjunction with a structural-inversion asymmetry in the presence of interfacial electric fields in a semiconductor heterostructure. The magnitude of the energy split is proportional to the electron wave number. Theoretical studies have suggested the possibility of devices in which electron energy states would be split by the Rashba effect and spin-polarized currents would be extracted by resonant quantum-mechanical tunneling.

Reconfigurable nanoscale spin-wave directional coupler

PubMed Central

Wang, Qi; Pirro, Philipp; Verba, Roman; Slavin, Andrei; Hillebrands, Burkard; Chumak, Andrii V.

2018-01-01

Spin waves, and their quanta magnons, are prospective data carriers in future signal processing systems because Gilbert damping associated with the spin-wave propagation can be made substantially lower than the Joule heat losses in electronic devices. Although individual spin-wave signal processing devices have been successfully developed, the challenging contemporary problem is the formation of two-dimensional planar integrated spin-wave circuits. Using both micromagnetic modeling and analytical theory, we present an effective solution of this problem based on the dipolar interaction between two laterally adjacent nanoscale spin-wave waveguides. The developed device based on this principle can work as a multifunctional and dynamically reconfigurable signal directional coupler performing the functions of a waveguide crossing element, tunable power splitter, frequency separator, or multiplexer. The proposed design of a spin-wave directional coupler can be used both in digital logic circuits intended for spin-wave computing and in analog microwave signal processing devices. PMID:29376117

Spin wave propagation in perpendicular magnetized 20 nm Yttrium Iron Garnet with different antenna design

NASA Astrophysics Data System (ADS)

Chen, Jilei; Stueckler, Tobias; Zhang, Youguang; Zhao, Weisheng; Yu, Haiming; Chang, Houchen; Liu, Tao; Wu, Mingzhong; Liu, Chuanpu; Liao, Zhimin; Yu, Dapeng; Fert Beijing research institute Team; Colorado State University Team; Peking University Collaboration

Magnonics offers a new way to transport information using spin waves free of charge current and could lead to a new paradigm in the area of computing. Forward volume (FV) mode spin wave with perpendicular magnetized configuration is suitable for spin wave logic device because it is free of non-reciprocity effect. Here, we study FV mode spin wave propagation in YIG thin film with an ultra-low damping. We integrated differently designed antenna i.e., coplanar waveguide and micro stripline with different dimensions. The k vectors of the spin waves defined by the design of the antenna are calculated using Fourier transform. We show FV mode spin wave propagation results by measuring S12 parameter from vector network analyzer and we extract the group velocity of the FV mode spin wave as well as its dispersion relations.

Magnetic Snell's law and spin-wave fiber with Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Yu, Weichao; Lan, Jin; Wu, Ruqian; Xiao, Jiang

2016-10-01

Spin waves are collective excitations propagating in the magnetic medium with ordered magnetizations. Magnonics, utilizing the spin wave (magnon) as an information carrier, is a promising candidate for low-dissipation computation and communication technologies. We discover that, due to the Dzyaloshinskii-Moriya interaction, the scattering behavior of the spin wave at a magnetic domain wall follows a generalized Snell's law, where two magnetic domains work as two different mediums. Similar to optical total reflection that occurs at water-air interfaces, spin waves may experience total reflection at the magnetic domain walls when their incident angle is larger than a critical value. We design a spin-wave fiber using a magnetic domain structure with two domain walls, and demonstrate that such a spin-wave fiber can transmit spin waves over long distances by total internal reflections, in analogy to an optical fiber.

Reconfigurable nanoscale spin-wave directional coupler.

PubMed

Wang, Qi; Pirro, Philipp; Verba, Roman; Slavin, Andrei; Hillebrands, Burkard; Chumak, Andrii V

2018-01-01

Spin waves, and their quanta magnons, are prospective data carriers in future signal processing systems because Gilbert damping associated with the spin-wave propagation can be made substantially lower than the Joule heat losses in electronic devices. Although individual spin-wave signal processing devices have been successfully developed, the challenging contemporary problem is the formation of two-dimensional planar integrated spin-wave circuits. Using both micromagnetic modeling and analytical theory, we present an effective solution of this problem based on the dipolar interaction between two laterally adjacent nanoscale spin-wave waveguides. The developed device based on this principle can work as a multifunctional and dynamically reconfigurable signal directional coupler performing the functions of a waveguide crossing element, tunable power splitter, frequency separator, or multiplexer. The proposed design of a spin-wave directional coupler can be used both in digital logic circuits intended for spin-wave computing and in analog microwave signal processing devices.

Growth and spin-wave properties of thin Y{sub 3}Fe{sub 5}O{sub 12} films on Si substrates

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

Stognij, A. I.; Novitskii, N. N.; Lutsev, L. V., E-mail: l-lutsev@mail.ru

2015-07-14

We describe synthesis of submicron Y{sub 3}Fe{sub 5}O{sub 12} (YIG) films sputtered on Si substrates and present results of the investigation of ferromagnetic resonance (FMR) and spin waves in YIG/SiO{sub 2}/Si structures. It is found that decrease of the annealing time leads to essential reduction of the FMR linewidth ΔH and, consequently, to reduction of relaxation losses of spin waves. Spin-wave propagation in in-plane magnetized YIG/SiO{sub 2}/Si structures is studied. We observe the asymmetry of amplitude-frequency characteristics of the Damon-Eshbach spin waves caused by different localizations of spin waves at the free YIG surface and at the YIG/SiO{sub 2} interface.more » Growth of the generating microwave power leads to spin-wave instability and changes amplitude-frequency characteristics of spin waves.« less

Magnetic properties of the Fe{sup II} spin crossover complex in emulsion polymerization of trifluoroethylmethacrylate using poly(vinyl alcohol)

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

Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.j; Iguchi, Motoi; Oku, Takeo

2010-04-15

Influence of chemical substitution in the Fe{sup II} spin crossover complex on magnetic properties in emulsion polymerization of trifluoroethylmethacrylate using poly(vinyl alcohol) as a protective colloid was investigated near its high spin/low spin (HS/LS) phase transition. The obvious bi-stability of the HS/LS phase transition was considered by the identification of multiple spin states between the quintet (S=2) states to single state (S=0) across the excited triplet state (S=1). Magnetic parameters of gradual shifts of anisotropy g-tensor supported by the molecular distortion of the spin crossover complex would arise from a Jahn-Teller effect regarding ligand field theory on the basis ofmore » a B3LYP density functional theory using electron spin resonance (ESR) spectrum and X-ray powder diffraction. - Graphical abstract: AFM surface image of the emulsion particles with the spin crossover complex.« less

High-efficiency control of spin-wave propagation in ultra-thin yttrium iron garnet by the spin-orbit torque

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

Evelt, M.; Demidov, V. E., E-mail: demidov@uni-muenster.de; Bessonov, V.

2016-04-25

We study experimentally with submicrometer spatial resolution the propagation of spin waves in microscopic waveguides based on the nanometer-thick yttrium iron garnet and Pt layers. We demonstrate that by using the spin-orbit torque, the propagation length of the spin waves in such systems can be increased by nearly a factor of 10, which corresponds to the increase in the spin-wave intensity at the output of a 10 μm long transmission line by three orders of magnitude. We also show that, in the regime, where the magnetic damping is completely compensated by the spin-orbit torque, the spin-wave amplification is suppressed by themore » nonlinear scattering of the coherent spin waves from current-induced excitations.« less

Ferromagnetic quantum critical point avoided by the appearance of another magnetic phase in LaCrGe 3 under pressure

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

Taufour, Valentin; Kaluarachchi, Udhara S.; Khasanov, Rustem

2016-07-13

Here, the temperature-pressure phase diagram of the ferromagnet LaCrGe 3 is determined for the first time from a combination of magnetization, muon-spin-rotation, and electrical resistivity measurements. The ferromagnetic phase is suppressed near 2.1 GPa, but quantum criticality is avoided by the appearance of a magnetic phase, likely modulated, AFMQ. Our density functional theory total energy calculations suggest a near degeneracy of antiferromagnetic states with small magnetic wave vectors Q allowing for the potential of an ordering wave vector evolving from Q=0 to finite Q, as expected from the most recent theories on ferromagnetic quantum criticality. Our findings show that LaCrGemore » 3 is a very simple example to study this scenario of avoided ferromagnetic quantum criticality and will inspire further study on this material and other itinerant ferromagnets.« less

Spin-polarized current in Zeeman-split d-wave superconductor/quantum wire junctions

NASA Astrophysics Data System (ADS)

Emamipour, Hamidreza

2016-06-01

We study a thin-film quantum wire/unconventional superconductor junction in the presence of an intrinsic exchange field for a d-wave symmetry of the superconducting order parameter. A strongly spin-polarized current is generated due to an interplay between Zeeman splitting of bands and the nodal structure of the superconducting order parameter. We show that strongly spin-polarized current is achievable for both metallic and tunnel junctions. This is because of the presence of a quantum wire (one-dimensional metal) in our junction. While in two-dimensional junctions with both conventional [F. Giazotto, F. Taddei, Phys. Rev. B 77 (2008) 132501] and unconventional [J. Linder, T. Yokoyama, Y. Tanaka, A. Sudbo, Phys. Rev. B 78 (2008) 014516] pairing states, highly spin polarized current takes place just for a tunnel junction. Also, the obtained spin-polarized current is tunable in sign and magnitude in terms of exchange field and applied bias voltage.

All-Electrical Measurement of Interfacial Dzyaloshinskii-Moriya Interaction Using Collective Spin-Wave Dynamics.

PubMed

Lee, Jong Min; Jang, Chaun; Min, Byoung-Chul; Lee, Seo-Won; Lee, Kyung-Jin; Chang, Joonyeon

2016-01-13

Dzyaloshinskii-Moriya interaction (DMI), which arises from the broken inversion symmetry and spin-orbit coupling, is of prime interest as it leads to a stabilization of chiral magnetic order and provides an efficient manipulation of magnetic nanostructures. Here, we report all-electrical measurement of DMI using propagating spin wave spectroscopy based on the collective spin wave with a well-defined wave vector. We observe a substantial frequency shift of spin waves depending on the spin chirality in Pt/Co/MgO structures. After subtracting the contribution from other sources to the frequency shift, it is possible to quantify the DMI energy in Pt/Co/MgO systems. The result reveals that the DMI in Pt/Co/MgO originates from the interfaces, and the sign of DMI corresponds to the inversion asymmetry of the film structures. The electrical excitation and detection of spin waves and the influence of interfacial DMI on the collective spin-wave dynamics will pave the way to the emerging field of spin-wave logic devices.

Enhanced spin wave propagation in magnonic rings by bias field modulation

NASA Astrophysics Data System (ADS)

Venkat, G.; Venkateswarlu, D.; Joshi, R. S.; Franchin, M.; Fangohr, H.; Anil Kumar, P. S.; Prabhakar, A.

2018-05-01

We simulate the spin wave (SW) dynamics in ring structures and obtain the ω - k dispersion relations corresponding to the output waveguide. Different bias field configurations affect the transfer of SW power from one arm of the structure to the other arm. To this end, we show that circular or radial bias fields are more suitable for energy transfer across the ring than the conventional horizontal bias field Hx. The SW dispersion shows that modes excited, when the bias field is along the ring radius, are almost 10 dB higher in power when compared to the modal power in the case of Hx. This is also corroborated by the SW energy density in the receiving stub.

Search for Gravitational Waves from Intermediate Mass Binary Black Holes

NASA Technical Reports Server (NTRS)

Blackburn, L.; Camp, J. B.; Cannizzo, J.; Stroeer, A. S.

2012-01-01

We present the results of a weakly modeled burst search for gravitational waves from mergers of non-spinning intermediate mass black holes (IMBH) in the total mass range 100-450 solar Mass and with the component mass ratios between 1:1 and 4:1. The search was conducted on data collected by the LIGO and Virgo detectors between November of 2005 and October of 2007. No plausible signals were observed by the search which constrains the astrophysical rates of the IMBH mergers as a function of the component masses. In the most efficiently detected bin centered on 88 + 88 solar Mass , for non-spinning sources, the rate density upper limit is 0.13 per Mpc(exp 3) per Myr at the 90% confidence level.

Brillouin-Mandelstam spectroscopy of standing spin waves in a ferrite waveguide

NASA Astrophysics Data System (ADS)

Balinskiy, Michael; Kargar, Fariborz; Chiang, Howard; Balandin, Alexander A.; Khitun, Alexander G.

2018-05-01

This article reports results of experimental investigation of the spin wave interference over large distances in the Y3Fe2(FeO4)3 waveguide using Brillouin-Mandelstam spectroscopy. Two coherent spin waves are excited by the micro-antennas fabricated at the edges of the waveguide. The amplitudes of the input spin waves are adjusted to provide approximately the same intensity in the central region of the waveguide. The relative phase between the excited spin waves is controlled by the phase shifter. The change of the local intensity distribution in the standing spin wave is monitored using Brillouin-Mandelstam light scattering spectroscopy. Experimental data demonstrate the oscillation of the scattered light intensity depending on the relative phase of the interfering spin waves. The oscillations of the intensity, tunable via the relative phase shift, are observed as far as 7.5 mm away from the spin-wave generating antennas at room temperature. The obtained results are important for developing techniques for remote control of spin currents, with potential applications in spin-based memory and logic devices.

All-optical observation and reconstruction of spin wave dispersion

PubMed Central

Hashimoto, Yusuke; Daimon, Shunsuke; Iguchi, Ryo; Oikawa, Yasuyuki; Shen, Ka; Sato, Koji; Bossini, Davide; Tabuchi, Yutaka; Satoh, Takuya; Hillebrands, Burkard; Bauer, Gerrit E. W.; Johansen, Tom H.; Kirilyuk, Andrei; Rasing, Theo; Saitoh, Eiji

2017-01-01

To know the properties of a particle or a wave, one should measure how its energy changes with its momentum. The relation between them is called the dispersion relation, which encodes essential information of the kinetics. In a magnet, the wave motion of atomic spins serves as an elementary excitation, called a spin wave, and behaves like a fictitious particle. Although the dispersion relation of spin waves governs many of the magnetic properties, observation of their entire dispersion is one of the challenges today. Spin waves whose dispersion is dominated by magnetostatic interaction are called pure-magnetostatic waves, which are still missing despite of their practical importance. Here, we report observation of the band dispersion relation of pure-magnetostatic waves by developing a table-top all-optical spectroscopy named spin-wave tomography. The result unmasks characteristics of pure-magnetostatic waves. We also demonstrate time-resolved measurements, which reveal coherent energy transfer between spin waves and lattice vibrations. PMID:28604690

Intrinsic Dirac half-metal and quantum anomalous Hall phase in a hexagonal metal-oxide lattice

NASA Astrophysics Data System (ADS)

Zhang, Shou-juan; Zhang, Chang-wen; Zhang, Shu-feng; Ji, Wei-xiao; Li, Ping; Wang, Pei-ji; Li, Sheng-shi; Yan, Shi-shen

2017-11-01

The quantum anomalous Hall (QAH) effect has attracted extensive attention due to time-reversal symmetry broken by a staggered magnetic flux emerging from ferromagnetic ordering and spin-orbit coupling. However, the experimental observations of the QAH effect are still challenging due to its small nontrivial bulk gap. Here, based on density functional theory and Berry curvature calculations, we propose the realization of intrinsic QAH effect in two-dimensional hexagonal metal-oxide lattice, N b2O3 , which is characterized by the nonzero Chern number (C =1 ) and chiral edge states. Spin-polarized calculations indicate that it exhibits a Dirac half-metal feature with temperature as large as TC=392 K using spin-wave theory. When the spin-orbit coupling is switched on, N b2O3 becomes a QAH insulator. Notably, the nontrivial topology is robust against biaxial strain with its band gap reaching up to Eg=75 meV , which is far beyond room temperature. A tight-binding model is further constructed to understand the origin of nontrivially electronic properties. Our findings on the Dirac half-metal and room-temperature QAH effect in the N b2O3 lattice can serve as an ideal platform for developing future topotronics devices.

Generation of spin waves by a train of fs-laser pulses: a novel approach for tuning magnon wavelength.

PubMed

Savochkin, I V; Jäckl, M; Belotelov, V I; Akimov, I A; Kozhaev, M A; Sylgacheva, D A; Chernov, A I; Shaposhnikov, A N; Prokopov, A R; Berzhansky, V N; Yakovlev, D R; Zvezdin, A K; Bayer, M

2017-07-18

Currently spin waves are considered for computation and data processing as an alternative to charge currents. Generation of spin waves by ultrashort laser pulses provides several important advances with respect to conventional approaches using microwaves. In particular, focused laser spot works as a point source for spin waves and allows for directional control of spin waves and switching between their different types. For further progress in this direction it is important to manipulate with the spectrum of the optically generated spin waves. Here we tackle this problem by launching spin waves by a sequence of femtosecond laser pulses with pulse interval much shorter than the relaxation time of the magnetization oscillations. This leads to the cumulative phenomenon and allows us to generate magnons in a specific narrow range of wavenumbers. The wavelength of spin waves can be tuned from 15 μm to hundreds of microns by sweeping the external magnetic field by only 10 Oe or by slight variation of the pulse repetition rate. Our findings expand the capabilities of the optical spin pump-probe technique and provide a new method for the spin wave generation and control.

Stretchable Persistent Spin Helices in GaAs Quantum Wells

NASA Astrophysics Data System (ADS)

Dettwiler, Florian; Fu, Jiyong; Mack, Shawn; Weigele, Pirmin J.; Egues, J. Carlos; Awschalom, David D.; Zumbühl, Dominik M.

2017-07-01

The Rashba and Dresselhaus spin-orbit (SO) interactions in 2D electron gases act as effective magnetic fields with momentum-dependent directions, which cause spin decay as the spins undergo arbitrary precessions about these randomly oriented SO fields due to momentum scattering. Theoretically and experimentally, it has been established that by fine-tuning the Rashba α and renormalized Dresselhaus β couplings to equal fixed strengths α =β , the total SO field becomes unidirectional, thus rendering the electron spins immune to decay due to momentum scattering. A robust persistent spin helix (PSH), i.e., a helical spin-density wave excitation with constant pitch P =2 π /Q , Q =4 m α /ℏ2, has already been experimentally realized at this singular point α =β , enhancing the spin lifetime by up to 2 orders of magnitude. Here, we employ the suppression of weak antilocalization as a sensitive detector for matched SO fields together with independent electrical control over the SO couplings via top gate voltage VT and back gate voltage VB to extract all SO couplings when combined with detailed numerical simulations. We demonstrate for the first time the gate control of the renormalized β and the continuous locking of the SO fields at α =β ; i.e., we are able to vary both α and β controllably and continuously with VT and VB, while keeping them locked at equal strengths. This makes possible a new concept: "stretchable PSHs," i.e., helical spin patterns with continuously variable pitches P over a wide parameter range. Stretching the PSH, i.e., gate controlling P while staying locked in the PSH regime, provides protection from spin decay at the symmetry point α =β , thus offering an important advantage over other methods. This protection is limited mainly by the cubic Dresselhaus term, which breaks the unidirectionality of the total SO field and causes spin decay at higher electron densities. We quantify the cubic term, and find it to be sufficiently weak so that the extracted spin-diffusion lengths and decay times show a significant enhancement near α =β . Since within the continuous-locking regime quantum transport is diffusive (2D) for charge while ballistic (1D) for spin and thus amenable to coherent spin control, stretchable PSHs could provide the platform for the much heralded long-distance communication ˜8 - 25 μ m between solid-state spin qubits, where the spin diffusion length for α ≠β is an order of magnitude smaller.

Spin-interaction effects for ultralong-range Rydberg molecules in a magnetic field

NASA Astrophysics Data System (ADS)

Hummel, Frederic; Fey, Christian; Schmelcher, Peter

2018-04-01

We investigate the fine and spin structure of ultralong-range Rydberg molecules exposed to a homogeneous magnetic field. Each molecule consists of a 87Rb Rydberg atom the outer electron of which interacts via spin-dependent s - and p -wave scattering with a polarizable 87Rb ground-state atom. Our model includes also the hyperfine structure of the ground-state atom as well as spin-orbit couplings of the Rydberg and ground-state atom. We focus on d -Rydberg states and principal quantum numbers n in the vicinity of 40. The electronic structure and vibrational states are determined in the framework of the Born-Oppenheimer approximation for varying field strengths ranging from a few up to hundred Gauss. The results show that the interplay between the scattering interactions and the spin couplings gives rise to a large variety of molecular states in different spin configurations as well as in different spatial arrangements that can be tuned by the magnetic field. This includes relatively regularly shaped energy surfaces in a regime where the Zeeman splitting is large compared to the scattering interaction but small compared to the Rydberg fine structure, as well as more complex structures for both weaker and stronger fields. We quantify the impact of spin couplings by comparing the extended theory to a spin-independent model.

Quantum phases of spinful Fermi gases in optical cavities

NASA Astrophysics Data System (ADS)

Colella, E.; Citro, R.; Barsanti, M.; Rossini, D.; Chiofalo, M.-L.

2018-04-01

We explore the quantum phases emerging from the interplay between spin and motional degrees of freedom of a one-dimensional quantum fluid of spinful fermionic atoms, effectively interacting via a photon-mediating mechanism with tunable sign and strength g , as it can be realized in present-day experiments with optical cavities. We find the emergence, in the very same system, of spin- and atomic-density wave ordering, accompanied by the occurrence of superfluidity for g >0 , while cavity photons are seen to drive strong correlations at all g values, with fermionic character for g >0 , and bosonic character for g <0 . Due to the long-range nature of interactions, to infer these results we combine mean-field and exact-diagonalization methods supported by bosonization analysis.

s± pairing near a Lifshitz transition

DOE PAGES

Mishra, Vivek; Scalapino, Douglas J.; Maier, Thomas A.

2016-08-26

Observations of robust superconductivity in some of the iron based superconductors in the vicinity of a Lifshitz point where a spin density wave instability is suppressed as the hole band drops below the Fermi energy raise questions for spin-fluctuation theories. In this paper we discuss spin-fluctuation pairing for a bilayer Hubbard model, which goes through such a Lifshitz transition. Our results show s± pairing with a transition temperature that peaks beyond the Lifshitz point and a gap function that has essentially the same magnitude but opposite sign on the incipient hole band as it does on the electron band thatmore » has a Fermi surface.« less

Antiferromagnetic domain wall as spin wave polarizer

NASA Astrophysics Data System (ADS)

Lan, Jin; Yu, Weichao; Xiao, Jiang

Spin waves are collective excitations of local magnetizations that can effectively propagate information even in magnetic insulators. In antiferromagnet, spin waves are endowed with additional polarization freedom. Here we propose that the antiferromagnetic domain wall can act as a spin wave polarizer, which perfectly passes one linearly polarized spin wave while substantially reflects the perpendicular one. We show that the polarizing effect lies in the suppression of one linear polarization inside domain wall, in close analogy to the wire-grid optical polarizer. Our finding opens up new possibilities in magnonic processing by harnessing spin wave polarization in antiferromagnet.

Mapping of spin wave propagation in a one-dimensional magnonic crystal

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

Ordóñez-Romero, César L., E-mail: cloro@fisica.unam.mx; Lazcano-Ortiz, Zorayda; Aguilar-Huerta, Melisa

2016-07-28

The formation and evolution of spin wave band gaps in the transmission spectrum of a magnonic crystal have been studied. A time and space resolved magneto inductive probing system has been used to map the spin wave propagation and evolution in a geometrically structured yttrium iron garnet film. Experiments have been carried out using (1) a chemically etched magnonic crystal supporting the propagation of magnetostatic surface spin waves, (2) a short microwave pulsed excitation of the spin waves, and (3) direct spin wave detection using a movable magneto inductive probe connected to a synchronized fast oscilloscope. The results show thatmore » the periodic structure not only modifies the spectra of the transmitted spin waves but also influences the distribution of the spin wave energy inside the magnonic crystal as a function of the position and the transmitted frequency. These results comprise an experimental confirmation of Bloch′s theorem in a spin wave system and demonstrate good agreement with theoretical observations in analogue phononic and photonic systems. Theoretical prediction of the structured transmission spectra is achieved using a simple model based on microwave transmission lines theory. Here, a spin wave system illustrates in detail the evolution of a much more general physical concept: the band gap.« less

Signatures of spin-orbital states of t2g 2 system in optical conductivity: R VO3 (R =Y and La)

NASA Astrophysics Data System (ADS)

Kim, Minjae

2018-04-01

We investigate signatures of the spin and orbital states of R VO3 (R =Y and La) in optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of multiplet state configurations to optical transitions, the DFT+DMFT reproduces experimental temperature-dependent evolutions of optical conductivity for both YVO3 and LaVO3. We also show that the optical conductivity is a useful quantity to probe the evolution of the orbital state even in the absence of spin order. The result provides a reference to investigate the spin and orbital states of t2g 2 vanadate systems, which is an important issue for both fundamental physics on spin and orbital states and applications of vanadates by means of orbital state control.

Current-induced modulation of backward spin-waves in metallic microstructures

NASA Astrophysics Data System (ADS)

Sato, Nana; Lee, Seo-Won; Lee, Kyung-Jin; Sekiguchi, Koji

2017-03-01

We performed a propagating spin-wave spectroscopy for backward spin-waves in ferromagnetic metallic microstructures in the presence of electric-current. Even with the smaller current injection of 5× {{10}10} A m-2 into ferromagnetic microwires, the backward spin-waves exhibit a gigantic 200 MHz frequency shift and a 15% amplitude change, showing 60 times larger modulation compared to previous reports. Systematic experiments by measuring dependences on a film thickness of mirowire, on the wave-vector of spin-wave, and on the magnitude of bias field, we revealed that for the backward spin-waves a distribution of internal magnetic field generated by electric-current efficiently modulates the frequency and amplitude of spin-waves. The gigantic frequency and amplitude changes were reproduced by a micromagnetics simulation, predicting that the current-injection of 5× {{10}11} A m-2 allows 3 GHz frequency shift. The effective coupling between electric-current and backward spin-waves has a potential to build up a logic control method which encodes signals into the phase and amplitude of spin-waves. The metallic magnonics cooperating with electronics could suggest highly integrated magnonic circuits both in Boolean and non-Boolean principles.

Spin-dependent analysis of two-dimensional electron liquids

NASA Astrophysics Data System (ADS)

Bulutay, C.; Tanatar, B.

2002-05-01

Two-dimensional electron liquid (2D EL) at full Fermi degeneracy is revisited, giving special attention to the spin-polarization effects. First, we extend the recently proposed classical-map hypernetted-chain (CHNC) technique to the 2D EL, while preserving the simplicity of the original proposal. An efficient implementation of CHNC is given utilizing Lado's quadrature expressions for the isotropic Fourier transforms. Our results indicate that the paramagnetic phase stays to be the ground state until the Wigner crystallization density, even though the energy separation with the ferromagnetic and other partially polarized states become minute. We analyze compressibility and spin stiffness variations with respect to density and spin polarization, the latter being overlooked until now. Spin-dependent static structure factor and pair-distribution functions are computed; agreement with the available quantum Monte Carlo data persists even in the strong-coupling regime of the 2D EL.

Role of entropy and structural parameters in the spin-state transition of LaCoO3

NASA Astrophysics Data System (ADS)

Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

2017-11-01

The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

Self-oscillation of standing spin wave in ring resonator with proportional-integral-derivative control

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

Peng, B.; Urazuka, Y.; Chen, H.

2014-05-07

We report on numerical analysis on self-oscillation of standing spin wave excited in a nanostructured active ring resonator, consists of a ferromagnetic nanowire with perpendicular anisotropy. The confined resonant modes are along the nanowire length. A positive feedback with proportional-integral-derivative gain control was adopted in the active ring. Stable excitation of the 1st order standing spin wave has been demonstrated with micromagnetic simulations, taking into account the thermal effect with a random field model. The stationary standing spin wave with a pre-determined set variable of precession amplitude was attained within 20 ns by optimizing the proportional-integral-derivative gain control parameters. The resultmore » indicates that a monochromatic oscillation frequency f{sub osc} is extracted from the initial thermal fluctuation state and selectively amplified with the positive feedback loop. The obtained f{sub osc} value of 5.22 GHz practically agrees with the theoretical prediction from dispersion relation of the magneto static forward volume wave. It was also confirmed that the f{sub osc} change due to the temperature rise can be compensated with an external perpendicular bias field H{sub b}. The observed quick compensation time with an order of nano second suggests the fast operation speed in the practical device application.« less

Nonlinear density waves in planetary rings

NASA Technical Reports Server (NTRS)

Borderies, Nicole; Goldreich, Peter; Tremaine, Scott

1986-01-01

The steady-state structure of planetary rings in the presence of density waves at the Lindblad resonances of a satellite is indicated. The study is based on the dispersion relation and damping rate for nonlinear density waves, derived by Shu et al. (1985) and by Borderies, Goldreich, and Tremaine (1985). It is shown that strong density waves lead to an enhancement of the background surface density in the wave zone.

Spin flip statistics and spin wave interference patterns in Ising ferromagnetic films: A Monte Carlo study.

PubMed

Acharyya, Muktish

2017-07-01

The spin wave interference is studied in two dimensional Ising ferromagnet driven by two coherent spherical magnetic field waves by Monte Carlo simulation. The spin waves are found to propagate and interfere according to the classic rule of interference pattern generated by two point sources. The interference pattern of spin wave is observed in one boundary of the lattice. The interference pattern is detected and studied by spin flip statistics at high and low temperatures. The destructive interference is manifested as the large number of spin flips and vice versa.

Epitaxial strain-mediated spin-state transitions: can we switch off magnetism?

NASA Astrophysics Data System (ADS)

Rondinelli, James; Spaldin, Nicola

2008-03-01

We use first-principles density functional theory calculations to explore spin-state transitions in epitaxially strained LaCoO3. While high-spin to low-spin state transitions in minerals are common in geophysics, where pressures can reach over 200 GPa, we explore whether heteroepitaxial strain can achieve similar transitions with moderate strain in thin films. LaCoO3 is known to undergo a low-spin (S=0, t2g^6eg^0) to intermediate-spin (S=1, t2g^5eg^1) or high-spin (S=2, t2g^4eg^2) state transition with increasing temperature, and thus makes it a promising candidate material for strain-mediated spin transitions. Here we discuss the physics of the low-spin transition and changes in the electronic structure of LaCoO3, most notably, the metal-insulator transition that accompanies the spin-state transitions with epitaxial strain. As thin film growth techniques continue to reach atomic-level precision, we suggest this is another approach for controlling magnetism in complex oxide heterostructures.

Bound state solution of Dirac equation for 3D harmonics oscillator plus trigonometric scarf noncentral potential using SUSY QM approach

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

Cari, C., E-mail: carinln@yahoo.com; Suparmi, A., E-mail: carinln@yahoo.com

2014-09-30

Dirac equation of 3D harmonics oscillator plus trigonometric Scarf non-central potential for spin symmetric case is solved using supersymmetric quantum mechanics approach. The Dirac equation for exact spin symmetry reduces to Schrodinger like equation. The relativistic energy and wave function for spin symmetric case are simply obtained using SUSY quantum mechanics method and idea of shape invariance.

Breakdown of the Wigner-Mattis theorem in semiconductor carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Rontani, Massimo; Secchi, Andrea; Manghi, Franca

2009-03-01

The Wigner-Mattis theorem states the ground state of two bound electrons, in the absence of the magnetic field, is always a spin-singlet. We predict the opposite result --a triplet- for two electrons in a quantum dot defined in a semiconductor carbon nanotube. The claim is supported by extensive many-body calculations based on the accurate configuration interaction code DONRODRIGO (www.s3.infm.t/donrodrigo). The crux of the matter is the peculiar two-valley structure of low-energy states, which encodes a pseudo-spin degree of freedom. The spin polarization of the ground state corresponds to a pseudo-spin singlet, which is selected by the inter-valley short-range Coulomb interaction. Single-electron excitation spectra and STM wave function images may validate this scenario, as shown by our numerical simulations.

Spin-resolved inelastic electron scattering by spin waves in noncollinear magnets

NASA Astrophysics Data System (ADS)

dos Santos, Flaviano José; dos Santos Dias, Manuel; Guimarães, Filipe Souza Mendes; Bouaziz, Juba; Lounis, Samir

2018-01-01

Topological noncollinear magnetic phases of matter are at the heart of many proposals for future information nanotechnology, with novel device concepts based on ultrathin films and nanowires. Their operation requires understanding and control of the underlying dynamics, including excitations such as spin waves. So far, no experimental technique has attempted to probe large wave-vector spin waves in noncollinear low-dimensional systems. In this paper, we explain how inelastic electron scattering, being suitable for investigations of surfaces and thin films, can detect the collective spin-excitation spectra of noncollinear magnets. To reveal the particularities of spin waves in such noncollinear samples, we propose the usage of spin-polarized electron-energy-loss spectroscopy augmented with a spin analyzer. With the spin analyzer detecting the polarization of the scattered electrons, four spin-dependent scattering channels are defined, which allow us to filter and select specific spin-wave modes. We take as examples a topological nontrivial skyrmion lattice, a spin-spiral phase, and the conventional ferromagnet. Then we demonstrate that, counterintuitively and in contrast to the ferromagnetic case, even non-spin-flip processes can generate spin waves in noncollinear substrates. The measured dispersion and lifetime of the excitation modes permit us to fingerprint the magnetic nature of the substrate.

Back-clocking of Fe2+/Fe1+ spin states in a H2-producing catalyst by advanced EPR

NASA Astrophysics Data System (ADS)

Stathi, Panagiota; Mitrikas, George; Sanakis, Yiannis; Louloudi, Maria; Deligiannakis, Yiannis

2013-10-01

A mononuclear Fe-(P(PPh2)3) ((P(PPh2)3) = tris[2-diphenylphospino)ethyl]phosphine) catalyst was studied in situ under catalytic conditions using advanced electron paramagnetic resonance (EPR) techniques. Fe-(P(PPh2)3) efficiently catalyses H2 production using HCOOH as substrate. Dual-mode continuous-wave (CW) EPR, used to study the initial Fe2+(S = 2) state, shows that the complex is characterised by a - rather small - zero field splitting parameter Δ = 0.45 cm-1 and geff = 8.0. In the presence of HCOOH substrate the complex evolves and a unique Fe1+(S = 1/2) state is trapped. The Fe1+ atom is coordinated by four 31P nuclei in a pseudo-C3 symmetry. Only a small fraction of the Fe1+ spin density is delocalised onto the 31P atoms. Four-pulse electron spin echo envelope modulation (ESEEM) and two-dimensional hyperfine sublevel correlation spectroscopy (2D-HYSCORE) data reveal the existence of two types of 1H couplings. One corresponds to weak, purely dipolar coupling, tentatively assigned to phenyl protons. The most important is a - rather unusual - 1H coupling with negative Aiso (-2.75 MHz) and strong dipolar part (T = 5.5 MHz). This 1H is located on the pseudo-C3 symmetry axis of the Fe1+-(P(PPh2)3-HCOO- complex where one substrate molecule, formate anion, is coordinated on the Fe1+ atom.