Precision ESR measurements of transverse anisotropy in the single-molecule magnet Ni4

NASA Astrophysics Data System (ADS)

Collett, Charles A.; Allão Cassaro, Rafael A.; Friedman, Jonathan R.

2016-12-01

We present a method for precisely measuring the tunnel splitting in single-molecule magnets (SMMs) using electron-spin resonance, and use these measurements to precisely and independently determine the underlying transverse anisotropy parameter, given a certain class of transitions. By diluting samples of the SMM Ni4 via cocrystallization in a diamagnetic isostructural analog we obtain markedly narrower resonance peaks than are observed in undiluted samples. Using custom loop-gap resonators we measure the transitions at several frequencies, allowing a precise determination of the tunnel splitting. Because the transition under investigation occurs at zero field, and arises due to a first-order perturbation from the transverse anisotropy, we can determine the magnitude of this anisotropy independent of any other Hamiltonian parameters. This method can be applied to other SMMs with tunnel splittings arising from first-order transverse anisotropy perturbations.

Research on the optical and EPR spectral data and the local structure for the trigonal Mn4+ centers in MgTiO3 crystal

NASA Astrophysics Data System (ADS)

Liao, Bi-Tao; Mei, Yang; Chen, Bo-Wei; Zheng, Wen-Chen

2017-07-01

The optical bands and EPR (or spin-Hamiltonian) parameters (g factors g//, g⊥ and zero-field splitting D) for Mn4+ ions at the trigonal octahedral Ti4+ site of MgTiO3 crystal are uniformly computed by virtue of the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model, where besides the effects of spin-orbit parameter of central dn ion on the spectral data (in the classical crystal field theory), those of ligands are also contained. The computed eight optical and EPR spectral data with four suitable adjustable parameters (note: differing from those in the previous work within cubic symmetry approximation where the used Racah parameters violate the nephelauxetic effect, the present Racah parameters obey the effect and hence are suitable) are rationally coincident with the experimental values. In particular, the calculated ground state splitting 2D, the first excited splitting ΔE(2E) and g-anisotropy Δg (=g//-g⊥) (they depend strongly on the angular distortion of d3 centers) are in excellent agreement with the observed values, suggesting that the angular distortions caused by the impurity-induced local lattice relaxation obtained from the above calculation for the trigonal Mn4+ impurity center in MgTiO3: Mn4+ crystal seem to be acceptable.

Circularly polarized zero-phonon transitions of vacancies in diamond at high magnetic fields

NASA Astrophysics Data System (ADS)

Braukmann, D.; Glaser, E. R.; Kennedy, T. A.; Bayer, M.; Debus, J.

2018-05-01

We study the circularly polarized photoluminescence of negatively charged (NV-) and neutral (NV0) nitrogen-vacancy ensembles and neutral vacancies (V0) in diamond crystals exposed to magnetic fields of up to 10 T. We determine the orbital and spin Zeeman splitting as well as the energetic ordering of their ground and first-excited states. The spin-triplet and -singlet states of the NV- are described by an orbital Zeeman splitting of about 9 μ eV /T , which corresponds to a positive orbital g -factor of gL=0.164 under application of the magnetic field along the (001) and (111) crystallographic directions, respectively. The zero-phonon line (ZPL) of the NV- singlet is defined as a transition from the 1E' states, which are split by gLμBB , to the 1A1 state. The energies of the zero-phonon triplet transitions show a quadratic dependence on intermediate magnetic field strengths, which we attribute to a mixing of excited states with nonzero orbital angular momentum. Moreover, we identify slightly different spin Zeeman splittings in the ground (gs) and excited (es) triplet states, which can be expressed by a deviation between their spin g -factors: gS ,es=gS ,gs+Δ g with values of Δ g =0.014 and 0.029 in the (001) and (111) geometries, respectively. The degree of circular polarization of the NV- ZPLs depends significantly on the temperature, which is explained by an efficient spin-orbit coupling of the excited states mediated through acoustic phonons. We further demonstrate that the sign of the circular polarization degree is switched under rotation of the diamond crystal. A weak Zeeman splitting similar to Δ g μBB measured for the NV- ZPLs is also obtained for the NV0 zero-phonon lines, from which we conclude that the ground state is composed of two optically active states with compensated orbital contributions and opposite spin-1/2 momentum projections. The zero-phonon lines of the V0 show Zeeman splittings and degrees of the circular polarization with opposite signs. The magnetophotoluminescence data indicate that the electron transition from the T12 states to the 1A ground state defines the zero-phonon emission at 1.674 eV, while the T12→1E transition is responsible for the zero-phonon line at 1.666 eV. The T12 (1E ) states are characterized by an orbital Zeeman splitting with gL=0.071 (0.128).

A Robust and Fast Method to Compute Shallow States without Adjustable Parameters: Simulations for a Silicon-Based Qubit

NASA Astrophysics Data System (ADS)

Debernardi, Alberto; Fanciulli, Marco

Within the framework of the envelope function approximation we have computed - without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms - the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley-orbit interaction of a realistically screened Coulomb potential and of the core potential are included exactly, within the numerical accuracy due to the use of a finite basis set, while band-anisotropy effects are taken into account within the effective-mass approximation.

Low-valent low-coordinated manganese(I) ion dimer: a temperature dependent W-band EPR study.

PubMed

Sorace, Lorenzo; Golze, Christian; Gatteschi, Dante; Bencini, Alessandro; Roesky, Herbert W; Chai, Jianfang; Stückl, A Claudia

2006-01-09

W-Band EPR spectra of [[HC(CMeNAr)(2)]Mn](2) (Ar = 2,6-(i)Pr(2)C(6)H(3)) have been measured at different temperatures. The spectra show a behavior which is typical for an antiferromagnetically coupled dimer with excited states populating upon increasing temperature. By following the intensity variation of the different features of the spectra with temperature, we attributed different groups of resonances to the S = 1, 2, and 3 states of the dimer. Their corresponding spin Hamiltonian parameters were derived from simulations. The zero-field-splitting parameters measured in this way were D(S=1) = 1.57 cm(-1) and E(S=1) = 0.064 cm(-1), D(S=2) = 0.266 cm(-1) and E(S=2) = 0.0045 cm(-1), and D(S=3) = 0.075 cm(-1) and E(S=3) = 0. On the basis of the molecular structure of the system, we could estimate that zero-field splitting (ZFS) is the result of anisotropic exchange and single-ion anisotropic contributions of similar magnitude (|D| approximately 0.2 cm(-1)). These results allow a deeper insight into the electronic structure of the Mn(I) centers in low-coordination environments, further supporting the electronic structure of Mn(I) to be 4s(1)3d(5), as previously indicated by DFT calculations.

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

NASA Astrophysics Data System (ADS)

Rudowicz, C.

2000-06-01

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

Electron and nuclear spin interactions in the optical spectra of single GaAs quantum dots.

PubMed

Gammon, D; Efros, A L; Kennedy, T A; Rosen, M; Katzer, D S; Park, D; Brown, S W; Korenev, V L; Merkulov, I A

2001-05-28

Fine and hyperfine splittings arising from electron, hole, and nuclear spin interactions in the magneto-optical spectra of individual localized excitons are studied. We explain the magnetic field dependence of the energy splitting through competition between Zeeman, exchange, and hyperfine interactions. An unexpectedly small hyperfine contribution to the splitting close to zero applied field is described well by the interplay between fluctuations of the hyperfine field experienced by the nuclear spin and nuclear dipole/dipole interactions.

All-optical band engineering of gapped Dirac materials

NASA Astrophysics Data System (ADS)

Kibis, O. V.; Dini, K.; Iorsh, I. V.; Shelykh, I. A.

2017-03-01

We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the band gaps and the spin-orbit splitting. Moreover, the renormalized electronic parameters drastically depend on the field polarization. Namely, a linearly polarized dressing field always decreases the band gap (and, particularly, can turn the gap into zero), whereas a circularly polarized field breaks the equivalence of valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. As a consequence, the dressing field can serve as an effective tool to control spin and valley properties of the materials and be potentially exploited in optoelectronic applications.

Exponential protection of zero modes in Majorana islands.

PubMed

Albrecht, S M; Higginbotham, A P; Madsen, M; Kuemmeth, F; Jespersen, T S; Nygård, J; Krogstrup, P; Marcus, C M

2016-03-10

Majorana zero modes are quasiparticle excitations in condensed matter systems that have been proposed as building blocks of fault-tolerant quantum computers. They are expected to exhibit non-Abelian particle statistics, in contrast to the usual statistics of fermions and bosons, enabling quantum operations to be performed by braiding isolated modes around one another. Quantum braiding operations are topologically protected insofar as these modes are pinned near zero energy, with the departure from zero expected to be exponentially small as the modes become spatially separated. Following theoretical proposals, several experiments have identified signatures of Majorana modes in nanowires with proximity-induced superconductivity and atomic chains, with small amounts of mode splitting potentially explained by hybridization of Majorana modes. Here, we use Coulomb-blockade spectroscopy in an InAs nanowire segment with epitaxial aluminium, which forms a proximity-induced superconducting Coulomb island (a 'Majorana island') that is isolated from normal-metal leads by tunnel barriers, to measure the splitting of near-zero-energy Majorana modes. We observe exponential suppression of energy splitting with increasing wire length. For short devices of a few hundred nanometres, sub-gap state energies oscillate as the magnetic field is varied, as is expected for hybridized Majorana modes. Splitting decreases by a factor of about ten for each half a micrometre of increased wire length. For devices longer than about one micrometre, transport in strong magnetic fields occurs through a zero-energy state that is energetically isolated from a continuum, yielding uniformly spaced Coulomb-blockade conductance peaks, consistent with teleportation via Majorana modes. Our results help to explain the trivial-to-topological transition in finite systems and to quantify the scaling of topological protection with end-mode separation.

A Mn(III) triplesalen-based 1D pearl necklace: exchange interactions and zero-field splittings in a C3-symmetric Mn(III)6 complex.

PubMed

Glaser, Thorsten; Heidemeier, Maik; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen

2010-01-07

The reaction of the tert-butyl-substituted triplesalen ligand H(6)talen(t-Bu(2)) with 2.8 equivalents of Mn(OAc)(2) x 4 H(2)O in MeOH in the presence of NaBPh(4) results in the formation of the one-dimensional (1D) coordination polymer {[{(talen(t-Bu(2)))Mn(3)(MeOH)}(2)(mu(2)-OAc)(3)](mu(2)-OAc)}(n)(BPh(4))(2n) ({[Mn(III)(6)](OAc)}(n)(BPh(4))(2n)) which has been characterized by FTIR, elemental analysis, ESI-MS, single-crystal X-ray diffraction and magnetic measurements. The triplesalen ligand (talen(t-Bu(2)))(6-) provides three salen-like coordination compartments bridged in a meta-phenylene arrangement by a phloroglucinol backbone resulting in the trinuclear Mn(III) base unit {(talen(t-Bu(2)))Mn(3)}(3+). Two of these base units are bridged by three inner acetate ligands giving rise to the hexanuclear complex [{(talen(t-Bu(2)))Mn(3)(MeOH)}(2)(mu(2)-OAc)(3)](3+) ([Mn(III)(6)](3+)). These complexes are bridged by a single external acetate to form a 1D chain as pearls in a pearl necklace. Variable temperature-variable field and mu(eff)vs. T magnetic data have been analyzed in detail by full-matrix diagonalization of the appropriate spin-Hamiltonian consisting of isotropic exchange, zero-field splitting, and Zeeman interaction taking into account the relative orientation of the D-tensors. Satisfactory reproduction of the experimental data have been obtained for parameters sets J(1) = -(0.60 +/- 0.15) cm(-1), J(2) = -(1.05 +/- 0.15) cm(-1), and D(Mn) = -(3.0 +/- 0.7) cm(-1) with J(1) describing the exchange through the phloroglucinol backbone and J(2) describing the exchange through the inner acetates. The non-necessity to incorporate the bridging outer acetates correlates with the longer Mn-O bonds. The experimental data can neither be analyzed without incorporating zero-field splitting nor by the application of a single effective spin ground state.

Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR.

PubMed

Nehrkorn, Joscha; Holldack, Karsten; Bittl, Robert; Schnegg, Alexander

2017-07-01

We describe frequency-domain Fourier-transform THz-EPR as a method to assign spin-coupling parameters of high-spin (S>1/2) systems with very large zero-field splittings. The instrumental foundations of synchrotron-based FD-FT THz-EPR are presented, alongside with a discussion of frequency-domain EPR simulation routines. The capabilities of this approach is demonstrated for selected mono- and multinuclear HS systems. Finally, we discuss remaining challenges and give an outlook on the future prospects of the technique. Copyright © 2017 Elsevier Inc. All rights reserved.

Relaxation of the environment of Gd3+ and Eu2+ impurity ions in the Y3Al5O12 garnet

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Artyomov, M. Yu.; Potapov, A. P.; Chernyshev, V. A.; Fokin, A. V.; Serdtsev, A. V.

2017-05-01

The second-rank spin Hamiltonian parameters of Gd3+ and Eu2+ orthorhombic centers in crystals of the yttrium aluminum garnet Y3Al5O12 have been analyzed within the framework of the superposition model for the zero-field splitting of the ground state. It has been shown that the description of the experimental data in this model is possible only under the assumption of relaxation of the ligand environment of the paramagnetic impurity.

Angular-momentum-dependent splitting of light through metal nanohole

NASA Astrophysics Data System (ADS)

Hu, Dejiao; Liu, Yu; Zhang, ZhiYou; Xiao, Xiao; Du, JingLei

2014-11-01

We numerically study the splitting of light beam which carries orbital angular momentum (OAM) through single metal nano-scale hole. A light beam carrying with OAM has a helical phase distribution in the transverse plane, where the electric field has the form: E(r,θ)=E0exp(lθ), and l is the topological charge which denotes the value of OAM. The circular polarization state is corresponding to the spin angular momentum (SAM), where s=+1 represents the left-handed polarization and s=-1 the right-handed polarization. Simulation results show l dependent splitting of beam through nano metal hole. When l is odd, the transmitted far field splits while no splitting happens when l is even. This phenomenon is attributed to the interaction between OAM beam and plasmonic mode of metal nano-hole. It is revealed that different OAM beam can excite different transverse mode in the metal cavity, which means the interaction should obey an OAM section rule. We show that even l can excite transverse mode with zero total AM and odd l can excite transverse mode with non-zero total AM within the hole. Orbital-spin conversion is also revealed in the free wave/plasmon interaction.

Splitting of the zero-energy Landau level and universal dissipative conductivity at critical points in disordered graphene.

PubMed

Ortmann, Frank; Roche, Stephan

2013-02-22

We report on robust features of the longitudinal conductivity (σ(xx)) of the graphene zero-energy Landau level in the presence of disorder and varying magnetic fields. By mixing an Anderson disorder potential with a low density of sublattice impurities, the transition from metallic to insulating states is theoretically explored as a function of Landau-level splitting, using highly efficient real-space methods to compute the Kubo conductivities (both σ(xx) and Hall σ(xy)). As long as valley degeneracy is maintained, the obtained critical conductivity σ(xx) =/~ 1.4e(2)/h is robust upon an increase in disorder (by almost 1 order of magnitude) and magnetic fields ranging from about 2 to 200 T. When the sublattice symmetry is broken, σ(xx) eventually vanishes at the Dirac point owing to localization effects, whereas the critical conductivities of pseudospin-split states (dictating the width of a σ(xy) = 0 plateau) change to σ(xx) =/~ e(2)/h, regardless of the splitting strength, superimposed disorder, or magnetic strength. These findings point towards the nondissipative nature of the quantum Hall effect in disordered graphene in the presence of Landau level splitting.

Structural transition in lanthanum gallate and transformation of the fine structure of the EPR spectrum of a Gd3+ impurity center

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Guseva, V. B.; Fokin, A. V.; Potapov, A. P.; Artyomov, M. Yu.

2011-04-01

Abrupt changes in resonance positions, hysteretic temperature behavior, and coexistence of phases, which indicate a first-order phase transition, have been revealed from measurements of temperature dependences of the EPR spectra of Gd3+ and Mn4+ centers in the vicinity of the structural transition of lanthanum gallate. The transformation of monoclinic Gd3+ centers into trigonal Gd3+ centers upon the phase transition has been used to estimate the adequacy of two approximations of the superposition model for parameters of the zero-field splitting of the ground state.

Localization enhanced and degraded topological order in interacting p -wave wires

NASA Astrophysics Data System (ADS)

Kells, G.; Moran, N.; Meidan, D.

2018-02-01

We numerically study the effect of disorder on the stability of the many-body zero mode in a Kitaev chain with local interactions. Our numerical procedure allows us to resolve the position space and multiparticle structure of the zero modes, as well as providing estimates for the mean energy splitting between pairs of states of opposite fermion parity, over the full many-body spectrum. We find that the parameter space of a clean system can be divided into regions where interaction induced decay transitions are suppressed (region I) and where they are not (region II). In region I we observe that disorder has an adverse effect on the zero mode, which extends further into the bulk and is accompanied by an increased energy splitting between pairs of states of opposite parity. Conversely region II sees a more intricate effect of disorder, showing an enhancement of localization at the system's end accompanied by a reduction in the mean pairwise energy splitting. We discuss our results in the context of the many-body localization (MBL). We show that while the mechanism that drives the MBL transition also contributes to the fock-space localization of the many-body zero modes, measures that characterize the degree of MBL do not necessarily correlate with an enhancement of the zero mode or an improved stability of the topological region.

The Kondo effect in the presence of ferromagnetism.

PubMed

Pasupathy, Abhay N; Bialczak, Radoslaw C; Martinek, Jan; Grose, Jacob E; Donev, Luke A K; McEuen, Paul L; Ralph, Daniel C

2004-10-01

We measured Kondo-assisted tunneling via C60 molecules in contact with ferromagnetic nickel electrodes. Kondo correlations persisted despite the presence of ferromagnetism, but the Kondo peak in the differential conductance was split by an amount that decreased (even to zero) as the moments in the two electrodes were turned from parallel to antiparallel alignment. The splitting is too large to be explained by a local magnetic field. However, the voltage, temperature, and magnetic field dependence of the signals agree with predictions for an exchange splitting of the Kondo resonance. The Kondo effect leads to negative values of magnetoresistance, with magnitudes much larger than the Julliere estimate.

Photon-assisted tunneling through a topological superconductor with Majorana bound states

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

Tang, Han-Zhao; Zhang, Ying-Tao, E-mail: zhangyt@mail.hebtu.edu.cn; Liu, Jian-Jun, E-mail: liujj@mail.hebtu.edu.cn

Employing the Keldysh Nonequilibrium Green’s function method, we investigate time-dependent transport through a topological superconductor with Majorana bound states in the presence of a high frequency microwave field. It is found that Majorana bound states driven by photon-assisted tunneling can absorb(emit) photons and the resulting photon-assisted tunneling side band peaks can split the Majorana bound state that then appears at non-zero bias. This splitting breaks from the current opinion that Majorana bound states appear only at zero bias and thus provides a new experimental method for detecting Majorana bound states in the Non-zero-energy mode. We not only demonstrate that themore » photon-assisted tunneling side band peaks are due to Non-zero-energy Majorana bound states, but also that the height of the photon-assisted tunneling side band peaks is related to the intensity of the microwave field. It is further shown that the time-varying conductance induced by the Majorana bound states shows negative values for a certain period of time, which corresponds to a manifestation of the phase coherent time-varying behavior in mesoscopic systems.« less

Determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility

NASA Astrophysics Data System (ADS)

Korotey, E. V.; Sinyavskii, N. Ya.

2007-07-01

A new method for determination of rheological parameters of liquid crystals with zero anisotropy of diamagnetic susceptibility is proposed, which is based on the measurement of the quadrupole splitting line of the NMR 2H spectrum. The method provides higher information content of the experiments, with the shear flow discarded from consideration, compared to that obtained by the classical Leslie-Ericksen theory. A comparison with the experiment is performed, the coefficients of anisotropic viscosity of lecithin/D2O/cyclohexane are determined, and a conclusion is drawn as concerns the domain shapes.

Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni3Mn2 complexes using theoretical methods based on Density Functional Theory.

PubMed

Gómez-Coca, Silvia; Ruiz, Eliseo

2012-03-07

The magnetic properties of a new family of single-molecule magnet Ni(3)Mn(2) complexes were studied using theoretical methods based on Density Functional Theory (DFT). The first part of this study is devoted to analysing the exchange coupling constants, focusing on the intramolecular as well as the intermolecular interactions. The calculated intramolecular J values were in excellent agreement with the experimental data, which show that all the couplings are ferromagnetic, leading to an S = 7 ground state. The intermolecular interactions were investigated because the two complexes studied do not show tunnelling at zero magnetic field. Usually, this exchange-biased quantum tunnelling is attributed to the presence of intermolecular interactions calculated with the help of theoretical methods. The results indicate the presence of weak intermolecular antiferromagnetic couplings that cannot explain the ferromagnetic value found experimentally for one of the systems. In the second part, the goal is to analyse magnetic anisotropy through the calculation of the zero-field splitting parameters (D and E), using DFT methods including the spin-orbit effect.

Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni(II)Se4 Coordination Complex.

PubMed

Jiang, Shang-Da; Maganas, Dimitrios; Levesanos, Nikolaos; Ferentinos, Eleftherios; Haas, Sabrina; Thirunavukkuarasu, Komalavalli; Krzystek, J; Dressel, Martin; Bogani, Lapo; Neese, Frank; Kyritsis, Panayotis

2015-10-14

The high-spin (S = 1) tetrahedral Ni(II) complex [Ni{(i)Pr2P(Se)NP(Se)(i)Pr2}2] was investigated by magnetometry, spectroscopic, and quantum chemical methods. Angle-resolved magnetometry studies revealed the orientation of the magnetization principal axes. The very large zero-field splitting (zfs), D = 45.40(2) cm(-1), E = 1.91(2) cm(-1), of the complex was accurately determined by far-infrared magnetic spectroscopy, directly observing transitions between the spin sublevels of the triplet ground state. These are the largest zfs values ever determined--directly--for a high-spin Ni(II) complex. Ab initio calculations further probed the electronic structure of the system, elucidating the factors controlling the sign and magnitude of D. The latter is dominated by spin-orbit coupling contributions of the Ni ions, whereas the corresponding effects of the Se atoms are remarkably smaller.

Zero-field splitting in the isoelectronic aqueous Gd(III) and Eu(II) complexes from a first principles analysis

NASA Astrophysics Data System (ADS)

Khan, S.; Peters, V.; Kowalewski, J.; Odelius, M.

2018-03-01

The zero-field splitting (ZFS) of the ground state octet in aqueous Eu(II) and Gd(III) solutions was investigated through multi- configurational quantum chemical calculations and ab initio molecular dynamics (AIMD) simulations. Investigation of the ZFS of the lanthanide ions is essential to understand the electron spin dynamics and nuclear spin relaxation around paramagnetic ions and consequently the mechanisms underlying applications like magnetic resonance imaging. We found by comparing clusters at identical geometries but different metallic centres that there is not a simple relationship for their ZFS, in spite of the complexes being isoelectronic - each containing 7 unpaired f electrons. Through sampling it was established that inclusion of the first hydration shell has a dominant (over 90 %) influence on the ZFS. Extended sampling of aqueous Gd(III) showed that the 2 nd order spin Hamiltonian formalism is valid and that the rhombic ZFS component is decisive.

Quantum Chemical Calculations of Torsionally Mediated Hyperfine Splittings in States of E Symmetry of Acetaldehyde (CH_{3}CHO)

NASA Astrophysics Data System (ADS)

Xu, Li-Hong; Reid, Elias M.; Guislain, Bradley; Hougen, Jon T.; Alekseev, E. A.; Krapivin, Igor

2017-06-01

Hyperfine splittings in methanol have been revisited in three recent publications. (i) Coudert et al. [JCP 143 (2015) 044304] published an analysis of splittings observed in the low-J range. They calculated 32 spin-rotation, 32 spin-spin, and 16 spin-torsion hyperfine constants using the ACES2 package. Three of these constants were adjusted to fit hyperfine patterns for 12 transitions. (ii) Three present authors and collaborators [JCP 145 (2016) 024307] analyzed medium to high-J experimental Lamb-dip measurements in methanol and presented a theoretical spin-rotation explanation that was based on torsionally mediated spin-rotation hyperfine operators. These contain, in addition to the usual nuclear spin and overall rotational operators, factors in the torsional angle α of the form {e^{plusmn;{inα}}}. Such operators have non-zero matrix elements between the two components of a torsion-rotation ^{tr}E state, but have zero matrix elements within a ^{tr}A state. More than 55 hyperfine splittings were successfully fitted using three parameters and the fitted values agree well with ab initio values obtained in (i). (iii) Lankhaar et al. [JCP 145 (2016) 244301] published a reanalysis of the data set from (i), using CFOUR recalculated hyperfine constants based on their rederivation of the relevant expressions. They explain why their choice of fixed and floated parameters leads to numerical values for all parameters that seem to be more physical than those in (i). The results in (ii) raise the question of whether large torsionally-mediated spin-rotation splittings will occur in other methyl-rotor-containing molecules. This abstract presents ab initio calculations of torsionally mediated hyperfine splittings in the E states of acetaldehyde using the same three operators as in (ii) and spin-rotation constants computed by Gaussian09. We explored the first 13 K states for J from 10 to 40 and ν_{t} = 0, 1, and 2. Our calculations indicate that hyperfine splittings in CH_{3}CHO are just below current measurement capability. This conclusion is confirmed by available experimental measurements.

Hints of hybridizing Majorana fermions in a nanowire coupled to superconducting leads

NASA Astrophysics Data System (ADS)

Finck, A. D. K.; van Harlingen, D. J.; Mohseni, P. K.; Jung, K.; Li, X.

2013-03-01

It has been proposed that a nanowire with strong spin-orbit coupling that is contacted with a conventional superconductor and subjected to a large magnetic field can be driven through a topological phase transition. In this regime, the two ends of the nanowire together host a pair of quasi-particles known as Majorana fermions (MFs). A key feature of MFs is that they are pinned to zero energy when the topological nanowire is long enough such that the wave functions of the two MFs do not overlap significantly, resulting in a zero bias anomaly (ZBA). It has been recently predicted that changes in external parameters can vary the wave function overlap and cause the MFs to hybridize in an oscillatory fashion. This would lead to a non-monotonic splitting or broadening of the ZBA and help distinguish MF transport signatures from a Kondo effect. Here, we present transport studies of an InAs nanowire contacted with niobium nitride leads in high magnetic fields. We observe a number of robust ZBAs that can persist for a wide range of back gate bias and magnetic field strength. Under certain conditions, we find that the height and width of the ZBA can oscillate with back gate bias or magnetic field. This work was supported by Microsoft Project Q.

Strain and electric-field tunable valley states in 2D van der Waals MoTe2/WTe2 heterostructures

NASA Astrophysics Data System (ADS)

Zheng, Zhida; Wang, Xiaocha; Mi, Wenbo

2016-12-01

The strain and electric-field effects on the electronic structure of MoTe2/WTe2 van der Waals heterostructures are investigated by first-principles calculations. The MoTe2/WTe2 heterostructures are indirect band gap semiconductors under different strains except for 2%. At a strain from  -6% to 6% under a zero electric field, the band gap is 0.56, 0.62, 0.69, 0.62, 0.46, 0.37 and 0.29 eV, respectively. Meanwhile, spin splitting at the conduction band minimum (CBM) decreases monotonically from 76-1 meV, and that at the valance band maximum (VBM) is 232, 266, 292, 307, 319, 302 and 283 meV. At an electric field from  -0.3 to 0.3 V Å-1 under a 2% strain, VBM splitting decreases from 499-77 meV, but CBM splitting almost remains at 33 meV. A semiconductor-metal transition appears at an electric field of  -0.3 V Å-1. At different electric fields under a  -4% strain, CBM splitting monotonically increases from 37-154 meV, but VBM splitting is 437, 438, 378, 273, 150, 78 and 134 meV, respectively. Our results can provide a more significant basis for spintronic and valleytronic devices.

Kondo-like zero-bias conductance anomaly in a three-dimensional topological insulator nanowire

DOE PAGES

Cho, Sungjae; Zhong, Ruidan; Schneeloch, John A.; ...

2016-02-25

Zero-bias anomalies in topological nanowires have recently captured significant attention, as they are possible signatures of Majorana modes. Yet there are many other possible origins of zero-bias peaks in nanowires—for example, weak localization, Andreev bound states, or the Kondo effect. Here, we discuss observations of differential-conductance peaks at zero-bias voltage in non-superconducting electronic transport through a 3D topological insulator (Bi 1.33Sb 0.67)Se 3 nanowire. The zero-bias conductance peaks show logarithmic temperature dependence and often linear splitting with magnetic fields, both of which are signatures of the Kondo effect in quantum dots. As a result, we characterize the zero-bias peaks andmore » discuss their origin.« less

Investigations of the optical and EPR data and local structure for the trigonal tetrahedral Co2+ centers in LiGa5O8: Co2+ crystal

NASA Astrophysics Data System (ADS)

He, Jian; Liao, Bi-Tao; Mei, Yang; Liu, Hong-Gang; Zheng, Wen-Chen

2018-01-01

In this paper, we calculate uniformly the optical and EPR data for Co2+ ion at the trigonal tetrahedral Ga3+ site in LiGa5O8 crystal from the complete diagonalization (of energy matrix) method founded on the two-spin-orbit-parameter model, where the contributions to the spectroscopic data from both the spin-orbit parameter of dn ion (in the classical crystal field theory) and that of ligand ions are contained. The calculated ten spectroscopic data (seven optical bands and three spin-Hamiltonian parameters g//, g⊥ and D) with only four adjustable parameters are in good agreement with the available observed values. Compared with the host (GaO4)5- cluster, the great angular distortion and hence the great trigonal distortion of (CoO4)6- impurity center obtained from the calculations are referred to the large charge and size mismatch substitution. This explains reasonably the observed great g-anisotropy Δg (= g// - g⊥) and zero-field splitting D for the (CoO4)6- cluster in LiGa5O8: Co2+ crystal.

Two-terminal charge tunneling: Disentangling Majorana zero modes from partially separated Andreev bound states in semiconductor-superconductor heterostructures

NASA Astrophysics Data System (ADS)

Moore, Christopher; Stanescu, Tudor D.; Tewari, Sumanta

2018-04-01

We show that a pair of overlapping Majorana bound states (MBSs) forming a partially separated Andreev bound state (ps-ABS) represents a generic low-energy feature in spin-orbit-coupled semiconductor-superconductor (SM-SC) hybrid nanowire in the presence of a Zeeman field. The ps-ABS interpolates continuously between the "garden variety" ABS, which consists of two MBSs sitting on top of each other, and the topologically protected Majorana zero modes (MZMs), which are separated by a distance given by the length of the wire. The really problematic ps-ABSs consist of component MBSs separated by a distance of the order of the characteristic Majorana decay length ξ , and have nearly zero energy in a significant range of control parameters, such as the Zeeman field and chemical potential, within the topologically trivial phase. Despite being topologically trivial, such ps-ABSs can generate signatures identical to MZMs in local charge tunneling experiments. In particular, the height of the zero-bias conductance peak (ZBCP) generated by ps-ABSs has the quantized value 2 e2/h , and it can remain unchanged in an extended range of experimental parameters, such as Zeeman field and the tunnel barrier height. We illustrate the formation of such low-energy robust ps-ABSs in two experimentally relevant situations: a hybrid SM-SC system consisting of a proximitized nanowire coupled to a quantum dot and the SM-SC system in the presence of a spatially varying inhomogeneous potential. We then show that, unlike local measurements, a two-terminal experiment involving charge tunneling at both ends of the wire is capable of distinguishing between the generic ps-ABSs and the non-Abelian MZMs. While the MZMs localized at the opposite ends of the wire generate correlated differential conduction spectra, including correlations in energy splittings and critical Zeeman fields associated with the emergence of the ZBCPs, such correlations are absent if the ZBCPs are due to ps-ABSs emerging in the topologically trivial phase. Measuring such correlations is the clearest and most straightforward test of topological MZMs in SM-SC heterostructures that can be done in a currently accessible experimental setup.

Symmetry breaking in the zero-energy Landau level in bilayer graphene.

PubMed

Zhao, Y; Cadden-Zimansky, P; Jiang, Z; Kim, P

2010-02-12

The quantum Hall effect near the charge neutrality point in bilayer graphene is investigated in high magnetic fields of up to 35 T using electronic transport measurements. In the high-field regime, the eightfold degeneracy in the zero-energy Landau level is completely lifted, exhibiting new quantum Hall states corresponding to filling factors nu=0, 1, 2, and 3. Measurements of the activation energy gaps for the nu=2 and 3 filling factors in tilted magnetic fields exhibit no appreciable dependence on the in-plane magnetic field, suggesting that these Landau level splittings are independent of spin. In addition, measurements taken at the nu=0 charge neutral point show that, similar to single layer graphene, the bilayer becomes insulating at high fields.

Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations.

PubMed

Cazacu, Maria; Shova, Sergiu; Soroceanu, Alina; Machata, Peter; Bucinsky, Lukas; Breza, Martin; Rapta, Peter; Telser, Joshua; Krzystek, J; Arion, Vladimir B

2015-06-15

Mononuclear nickel(II), copper(II), and manganese(III) complexes with a noninnocent tetradentate Schiff base ligand containing a disiloxane unit were prepared in situ by reaction of 3,5-di-tert-butyl-2-hydroxybenzaldehyde with 1,3-bis(3-aminopropyl)tetramethyldisiloxane followed by addition of the appropriate metal(II) salt. The ligand H2L resulting from these reactions is a 2:1 condensation product of 3,5-di-tert-butyl-2-hydroxybenzaldehyde with 1,3-bis(3-aminopropyl)tetramethyldisiloxane. The resulting metal complexes, NiL·0.5CH2Cl2, CuL·1.5H2O, and MnL(OAc)·0.15H2O, were characterized by elemental analysis, spectroscopic methods (IR, UV-vis, X-band EPR, HFEPR, (1)H NMR), ESI mass spectrometry, and single crystal X-ray diffraction. Taking into account the well-known strong stabilizing effects of tert-butyl groups in positions 3 and 5 of the aromatic ring on phenoxyl radicals, we studied the one-electron and two-electron oxidation of the compounds using both experimental (chiefly spectroelectrochemistry) and computational (DFT) techniques. The calculated spin-density distribution and localized orbitals analysis revealed the oxidation locus and the effect of the electrochemical electron transfer on the molecular structure of the complexes, while time-dependent DFT calculations helped to explain the absorption spectra of the electrochemically generated species. Hyperfine coupling constants, g-tensors, and zero-field splitting parameters have been calculated at the DFT level of theory. Finally, the CASSCF approach has been employed to theoretically explore the zero-field splitting of the S = 2 MnL(OAc) complex for comparison purposes with the DFT and experimental HFEPR results. It is found that the D parameter sign strongly depends on the metal coordination geometry.

Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

NASA Astrophysics Data System (ADS)

Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

2001-05-01

Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

Electron paramagnetic resonance spectral study of [Mn(acs){sub 2}(2–pic){sub 2}(H{sub 2}O){sub 2}] single crystals

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

Kocakoç, Mehpeyker, E-mail: mkocakoc@cu.edu.tr; Tapramaz, Recep, E-mail: recept@omu.edu.tr

Acesulfame potassium salt is a synthetic and non-caloric sweetener. It is also important chemically for its capability of being ligand in coordination compounds, because it can bind over Nitrogen and Oxygen atoms of carbonyl and sulfonyl groups and ring oxygen. Some acesulfame containing transition metal ion complexes with mixed ligands exhibit solvato and thermo chromic properties and these properties make them physically important. In this work single crystals of Mn{sup +2} ion complex with mixed ligand, [Mn(acs){sub 2}(2-pic){sub 2}(H{sub 2}O){sub 2}], was studied with electron paramagnetic resonance (EPR) spectroscopy. EPR parameters were determined. Zero field splitting parameters indicated that themore » complex was highly symmetric. Variable temperature studies showed no detectable chance in spectra.« less

Order and anarchy hand in hand in 5D SO(10)

NASA Astrophysics Data System (ADS)

Vicino, D.

2015-07-01

A mechanism to generate flavour hierarchy via 5D wave-function localization is revisited in the context of SO(10) grand unified theory. In an extra-dimension compactified on an orbifold, fermions (living in the same 16 representation of SO(10)) result having exponential zero-modes profiles, localized around one of the brane. The breaking of SO(10) down to SU(5) × U(1)x provides the key parameter that distinguishes the profiles of the different SU(5) components inside the same 16 representation. Utilizing a suitable set of scalar fields, a predictive model for fermion masses and mixing is constructed and shown to be viable with the current data through a detailed numerical analysis. The scalar field content of the model is also suitable to solve the doublet-triplet splitting problem through the missing partner mechanism. All the Yukawa couplings in the model are anarchical and of order unity, while the hierarchies among different fermions result only from zero-mode profiles. The naturalness of Anarchical Yukawa couplings is studied, showing a preference for a normal ordered neutrino spectrum; predictions for various observables in the lepton sector are also derived.

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

Hen, Itay; Karliner, Marek

We study the zero-temperature crystalline structure of baby Skyrmions by applying a full-field numerical minimization algorithm to baby Skyrmions placed inside different parallelogramic unit cells and imposing periodic boundary conditions. We find that within this setup, the minimal energy is obtained for the hexagonal lattice, and that in the resulting configuration the Skyrmion splits into quarter Skyrmions. In particular, we find that the energy in the hexagonal case is lower than the one obtained on the well-studied rectangular lattice, in which splitting into half Skyrmions is observed.

Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy

NASA Astrophysics Data System (ADS)

Biktagirov, Timur; Schmidt, Wolf Gero; Gerstmann, Uwe

2018-03-01

For high-spin centers, one of the key spectroscopic fingerprints is the zero-field splitting (ZFS) addressable by electron paramagnetic resonance. In this paper, an implementation of the spin-spin contribution to the ZFS tensor within the projector augmented-wave (PAW) formalism is reported. We use a single-determinant approach proposed by M. J. Rayson and P. R. Briddon [Phys. Rev. B 77, 035119 (2008), 10.1103/PhysRevB.77.035119], and complete it by adding a PAW reconstruction term which has not been taken into account before. We benchmark the PAW approach against a well-established all-electron method for a series of diatomic radicals and defects in diamond and cubic silicon carbide. While for some of the defect centers the PAW reconstruction is found to be almost negligible, in agreement with the common assumption, we show that in general it significantly improves the calculated ZFS towards the all-electron results.

Effects of laser-induced heating on nitrogen-vacancy centers and single-nitrogen defects in diamond

NASA Astrophysics Data System (ADS)

Szczuka, Conrad; Drake, Melanie; Reimer, Jeffrey A.

2017-10-01

We investigate the effects of laser-induced heating of NV- and P1 defects in diamonds by X-band CW EPR spectroscopy, with particular attention to temperature effects on the zero field splitting and electron polarization. A 532 nm laser with intensities of 7-36 mW mm-2 is sufficient to heat diamond samples from room temperature to 313-372 K in our experimental setup. The temperature effects on the determined NV- zero-field splittings are consistent with previously observed non-optical heating experiments. Electron spin polarization of the NV- defects were observed to increase, then saturate, with increasing laser light intensities up to 36 mW mm-2 after accounting for heating effects. We observe that EPR signal intensities from P1 centers do not follow a Boltzmann trend with laser-induced sample heating. These findings have bearing on the design of diamond-based polarization devices and magnetometry applications.

Interplay of Zero-Field Splitting and Excited State Geometry Relaxation in fac-Ir(ppy)3.

PubMed

Gonzalez-Vazquez, José P; Burn, Paul L; Powell, Benjamin J

2015-11-02

The lowest energy triplet state, T1, of organometallic complexes based on iridium(III) is of fundamental interest, as the behavior of molecules in this state determines the suitability of the complex for use in many applications, e.g., organic light-emitting diodes. Previous characterization of T1 in fac-Ir(ppy)3 suggests that the trigonal symmetry of the complex is weakly broken in the excited state. Here we report relativistic time dependent density functional calculations of the zero-field splitting (ZFS) of fac-Ir(ppy)3 in the ground state (S0) and lowest energy triplet (T1) geometries and at intermediate geometries. We show that the energy scale of the geometry relaxation in the T1 state is large compared to the ZFS. Thus, the natural analysis of the ZFS and the radiative decay rates, based on the assumption that the structural distortion is a small perturbation, fails dramatically. In contrast, our calculations of these quantities are in good agreement with experiment.

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

Norris, J.R.; Budil, D.E.; Gast, P.

The orientation of the principal axes of the primary electron donor triplet state measured in single crystals of photosynthetic reaction centers is compared to the x-ray structures of the bacteria Rhodobacter (Rb.) sphaeroides R-26 and Rhodopseudomonas (Rps.) viridis. The primary donor of Rps. viridis is significantly different from that of Rb. sphaeroides. The measured directions of the axes indicate that triplet excitation is almost completely localized on the L-subunit half of the dimer in Rps. viridis but is more symmetrically distributed on the dimeric donor in Rb. sphaeroides R-26. The large reduction of the zero field splitting parameters relative tomore » monomeric bacteriochlorophyll triplet in vitro suggests significant participation of asymmetrical charge transfer electronic configurations in the special pair triplet state of both organisms.« less

Optically detected magnetic resonance of nitrogen vacancies in a diamond anvil cell using designer diamond anvils

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

Steele, L. G.; Lawson, M.; Onyszczak, M.

Optically detected magnetic resonance of nitrogen vacancy centers in diamond offers a route to both DC and AC magnetometry in diamond anvil cells under high pressures (>3 GPa). However, a serious challenge to realizing experiments has been the insertion of microwave radiation into the sample space without screening by the gasket material. We utilize designer anvils with lithographically deposited metallic microchannels on the diamond culet as a microwave antenna. We detected the spin resonance of an ensemble of microdiamonds under pressure and measured the pressure dependence of the zero field splitting parameters. Furthermore, these experiments enable the possibility for all-opticalmore » magnetic resonance experiments on nanoliter sample volumes at high pressures.« less

Optically detected magnetic resonance of nitrogen vacancies in a diamond anvil cell using designer diamond anvils

DOE PAGES

Steele, L. G.; Lawson, M.; Onyszczak, M.; ...

2017-11-28

Optically detected magnetic resonance of nitrogen vacancy centers in diamond offers a route to both DC and AC magnetometry in diamond anvil cells under high pressures (>3 GPa). However, a serious challenge to realizing experiments has been the insertion of microwave radiation into the sample space without screening by the gasket material. We utilize designer anvils with lithographically deposited metallic microchannels on the diamond culet as a microwave antenna. We detected the spin resonance of an ensemble of microdiamonds under pressure and measured the pressure dependence of the zero field splitting parameters. Furthermore, these experiments enable the possibility for all-opticalmore » magnetic resonance experiments on nanoliter sample volumes at high pressures.« less

Enhancement of magnetic anisotropy in a Mn-Bi heterobimetallic complex.

PubMed

Pearson, Tyler J; Fataftah, Majed S; Freedman, Danna E

2016-09-15

A novel Mn 2+ Bi 3+ heterobimetallic complex, featuring the closest MnBi interaction for a paramagnetic molecular species, exhibits unusually large axial zero-field splitting. We attribute this enhancement to the proximity of Mn 2+ to a heavy main group element, namely, bismuth.

Pressure dependence of zero-field splittings in organic triplets. II. Carbonyls

NASA Astrophysics Data System (ADS)

Chan, I. Y.; Qian, X. Q.

1990-01-01

We have conducted optically detected magnetic resonance (ODMR) experiments at pressure up to 40 kbar for neat biactyl (BA), neat benzil (BZ), and acetophenone (AP) doped in dibromobenzene (DBB). The pressure dependences of their zero-field splitting (ZFS) parameters D and E are reported. For BA and BZ systems, the ‖D‖ value decreases greatly with increasing pressure. This behavior is in contrast with that of benzophenone (BP), whose ‖D‖ value increases sigmoidally 13% over the same pressure range. These results may be rationalized in a qualitative theory based on pressure modulation of the spin-orbit coupling (SOC) contribution to the ZFS. ln aromatic ketones, lattice compression modifies the twist angle of the phenyl ring(s) relative to the carbonyl frame, thus changing the energy of the 3ππ* state relative to that of the 3nπ* state. This variation of the energy denominator in a second order perturbation enhances the SOC contribution to the ZFS. In comparison, the increase of spin-spin (SS) dipolar interaction by isotropic compression is relatively unimportant. Consistent with this picture, the very small 3ππ*-3nπ* energy gap produces an enormous pressure sensitivity of D and E in AP/DBB. The behavior of the ZFS in this case may be interpreted as a consequence of pressure tuning of the 3ππ* state through an anticrossing region. In addition, a new set of high frequency ODMR signals appears under pressure. This is attributed to a new site of AP having the 3nπ* as the phosphorescent triplet state. The pressure dependence of ZFS for benzil shows complicated fine structure. This is a testimony to the flexible nature of benzil in both the dihedral angle of the dicarbonyl fragment and the phenyl twist angle.

Local structures of the tetragonal Gd3 -VM and Gd3 -Li centers in perovskite fluorides

NASA Astrophysics Data System (ADS)

Zheng, W. C.

The zero-field splittings b20 of the tetragonal Gd3+-VM and Gd3+-Li+ centers for Gd3+ ions in fluoroperovskite crystals have been studied on the basis of the superposition model in which the value of t2

Comparison of the magnetic properties of glass from Luna 20 with similar properties of glass from the Apollo missions

USGS Publications Warehouse

Senftle, F.E.; Thorpe, A.N.; Alexander, C.C.; Briggs, C.L.

1973-01-01

Magnetic susceptibility measurements have been made on four glass spherules and fragments from the Luna 20 fines; two at 300??K and two from 300??K to 4??K. From these data the magnetic susceptibility extrapolated to infinite field, the magnetization at low fields and also the saturation magnetization at high fields, the Curie constant, the Weiss temperature, and the temperature-independent susceptibility were determined. Using a model previously proposed for the Apollo specimens, the Curie constant of the antiferromagnetic inclusions and a zero field splitting parameter were calculated for the same specimens. The data show the relatively low concentration of iron in all forms in these specimens. In addition, the Weiss temperature is lower than that measured for the Apollo specimens, and can be attributed almost entirely to the ligand field distortion about the Fe2+ ions in the glassy phase. The data further suggest that the Luna 20 specimens cooled more slowly than those of the Apollo missions, and that some of the antiferromagnetic inclusions in the glass may have crystallized from the glass during cooling. ?? 1973.

Temperature dependence of local structural changes around transition metal centers Cr3+ and Mn2+ in RAl3(BO3)4 crystals studied by EMR

NASA Astrophysics Data System (ADS)

Açıkgöz, Muhammed; Rudowicz, Czesław; Gnutek, Paweł

2017-11-01

Theoretical investigations are carried out to determine the temperature dependence of the local structural parameters of Cr3+ and Mn2+ ions doped into RAl3(BO3)4 (RAB, R = Y, Eu, Tm) crystals. The zero-field splitting (ZFS) parameters (ZFSPs) obtained from the spin Hamiltonian (SH) analysis of EMR (EPR) spectra serve for fine-tuning the theoretically predicted ZFSPs obtained using the semi-empirical superposition model (SPM). The SPM analysis enables to determine the local structure changes around Cr3+ and Mn2+ centers in RAB crystals and explain the observed temperature dependence of the ZFSPs. The local monoclinic C2 site symmetry of all Al sites in YAB necessitates consideration of one non-zero monoclinic ZFSP (in the Stevens notation, b21) for Cr3+ ions. However, the experimental second-rank ZFSPs (D =b20 , E = 1 / 3b22) were expressed in a nominal principal axis system. To provide additional insight into low symmetry aspects, the distortions (ligand's distances ΔRi and angular distortions Δθi) have been varied while preserving monoclinic site symmetry, in such way as to obtain the calculated values (D, E) close to the experimental ones, while keeping b21 close to zero. This procedure yields good matching of the calculated ZFSPs and the experimental ones, and enables determination of the corresponding local distortions. The present results may be useful in future studies aimed at technological applications of the Huntite-type borates with the formula RM3(BO3)4. The model parameters determined here may be utilized for ZFSP calculations for Cr3+ and Mn2+ ions at octahedral sites in single-molecule magnets and single-chain magnets.

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies

NASA Astrophysics Data System (ADS)

Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia

2017-12-01

The development of novel quantum bits is key to extending the scope of solid-state quantum-information science and technology. Using first-principles calculations, we propose that large metal ion-vacancy pairs are promising qubit candidates in two binary crystals: 4 H -SiC and w -AlN. In particular, we found that the formation of neutral Hf- and Zr-vacancy pairs is energetically favorable in both solids; these defects have spin-triplet ground states, with electronic structures similar to those of the diamond nitrogen-vacancy center and the SiC divacancy. Interestingly, they exhibit different spin-strain coupling characteristics, and the nature of heavy metal ions may allow for easy defect implantation in desired lattice locations and ensure stability against defect diffusion. To support future experimental identification of the proposed defects, we report predictions of their optical zero-phonon line, zero-field splitting, and hyperfine parameters. The defect design concept identified here may be generalized to other binary semiconductors to facilitate the exploration of new solid-state qubits.

An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.

PubMed

Qu, Chen; Bowman, Joel M

2016-09-14

We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.

Effect of zero magnetic field on cardiovascular system and microcirculation

NASA Astrophysics Data System (ADS)

Gurfinkel, Yu. I.; At'kov, O. Yu.; Vasin, A. L.; Breus, T. K.; Sasonko, M. L.; Pishchalnikov, R. Yu.

2016-02-01

The effects of zero magnetic field conditions on cardiovascular system of healthy adults have been studied. In order to generate zero magnetic field, the facility for magnetic fields modeling ;ARFA; has been used. Parameters of the capillary blood flow, blood pressure, and the electrocardiogram (ECG) monitoring were measured during the study. All subjects were tested twice: in zero magnetic field and, for comparison, in sham condition. The obtained results during 60 minutes of zero magnetic field exposure demonstrate a clear effect on cardiovascular system and microcirculation. The results of our experiments can be used in studies of long-term stay in hypo-magnetic conditions during interplanetary missions.

Split Octonion Reformulation for Electromagnetic Chiral Media of Massive Dyons

NASA Astrophysics Data System (ADS)

Chanyal, B. C.

2017-12-01

In an explicit, unified, and covariant formulation of an octonion algebra, we study and generalize the electromagnetic chiral fields equations of massive dyons with the split octonionic representation. Starting with 2×2 Zorn’s vector matrix realization of split-octonion and its dual Euclidean spaces, we represent the unified structure of split octonionic electric and magnetic induction vectors for chiral media. As such, in present paper, we describe the chiral parameter and pairing constants in terms of split octonionic matrix representation of Drude-Born-Fedorov constitutive relations. We have expressed a split octonionic electromagnetic field vector for chiral media, which exhibits the unified field structure of electric and magnetic chiral fields of dyons. The beauty of split octonionic representation of Zorn vector matrix realization is that, the every scalar and vector components have its own meaning in the generalized chiral electromagnetism of dyons. Correspondingly, we obtained the alternative form of generalized Proca-Maxwell’s equations of massive dyons in chiral media. Furthermore, the continuity equations, Poynting theorem and wave propagation for generalized electromagnetic fields of chiral media of massive dyons are established by split octonionic form of Zorn vector matrix algebra.

Stable static structures in models with higher-order derivatives

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

Bazeia, D., E-mail: bazeia@fisica.ufpb.br; Departamento de Física, Universidade Federal de Campina Grande, 58109-970 Campina Grande, PB; Lobão, A.S.

2015-09-15

We investigate the presence of static solutions in generalized models described by a real scalar field in four-dimensional space–time. We study models in which the scalar field engenders higher-order derivatives and spontaneous symmetry breaking, inducing the presence of domain walls. Despite the presence of higher-order derivatives, the models keep to equations of motion second-order differential equations, so we focus on the presence of first-order equations that help us to obtain analytical solutions and investigate linear stability on general grounds. We then illustrate the general results with some specific examples, showing that the domain wall may become compact and that themore » zero mode may split. Moreover, if the model is further generalized to include k-field behavior, it may contribute to split the static structure itself.« less

Numerical investigation on splitting of ferrofluid microdroplets in T-junctions using an asymmetric magnetic field with proposed correlation

NASA Astrophysics Data System (ADS)

Aboutalebi, Mohammad; Bijarchi, Mohamad Ali; Shafii, Mohammad Behshad; Kazemzadeh Hannani, Siamak

2018-02-01

The studies surrounding the concept of microdroplets have seen a dramatic increase in recent years. Microdroplets have applications in different fields such as chemical synthesis, biology, separation processes and micro-pumps. This study numerically investigates the effect of different parameters such as Capillary number, Length of droplets, and Magnetic Bond number on the splitting process of ferrofluid microdroplets in symmetric T-junctions using an asymmetric magnetic field. The use of said field that is applied asymmetrically to the T-junction center helps us control the splitting of ferrofluid microdroplets. During the process of numerical simulation, a magnetic field with various strengths from a dipole located at a constant distance from the center of the T-junction was applied. The main advantage of this design is its control over the splitting ratio of daughter droplets and reaching various microdroplet sizes in a T-junction by adjusting the magnetic field strength. The results showed that by increasing the strength of the magnetic field, the possibility of asymmetric splitting of microdroplets increases in a way that for high values of field strength, high splitting ratios can be reached. Also, by using the obtained results at various Magnetic Bond numbers and performing curve fitting, a correlation is derived that can be used to accurately predict the borderline between splitting and non-splitting zones of microdroplets flow in micro T-junctions.

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.

Rotational characterization of methyl methacrylate: Internal dynamics and structure determination

NASA Astrophysics Data System (ADS)

Herbers, Sven; Wachsmuth, Dennis; Obenchain, Daniel A.; Grabow, Jens-Uwe

2018-01-01

Rotational constants, Watson's S centrifugal distortion coefficients, and internal rotation parameters of the two most stable conformers of methyl methacrylate were retrieved from the microwave spectrum. Splittings of rotational energy levels were caused by two non equivalent methyl tops. Constraining the centrifugal distortion coefficients and internal rotation parameters to the values of the main isotopologues, the rotational constants of all single substituted 13C and 18O isotopologues were determined. From these rotational constants the substitution structures and semi-empirical zero point structures of both conformers were precisely determined.

Magnetic field tunability of spin polarized excitations in a high temperature magnet

NASA Astrophysics Data System (ADS)

Holinsworth, Brian; Sims, Hunter; Cherian, Judy; Mazumdar, Dipanjan; Harms, Nathan; Chapman, Brandon; Gupta, Arun; McGill, Steve; Musfeldt, Janice

Magnetic semiconductors are at the heart of modern device physics because they naturally provide a non-zero magnetic moment below the ordering temperature, spin-dependent band gap, and spin polarization that originates from exchange-coupled magnetization or an applied field creating a spin-split band structure. Strongly correlated spinel ferrites are amongst the most noteworthy contenders for semiconductor spintronics. NiFe2O4, in particular, displays spin-filtering, linear magnetoresistance, and wide application in the microwave regime. To unravel the spin-charge interaction in NiFe2O4, we bring together magnetic circular dichroism, photoconductivity, and prior optical absorption with complementary first principles calculations. Analysis uncovers a metamagnetic transition modifying electronic structure in the minority channel below the majority channel gap, exchange splittings emerging from spin-split bands, anisotropy of excitons surrounding the indirect gap, and magnetic-field dependent photoconductivity. These findings open the door for the creation and control of spin-polarized excitations from minority channel charge charge transfer in NiFe2O4 and other members of the spinel ferrite family.

Heavy ligand atom induced large magnetic anisotropy in Mn(ii) complexes.

PubMed

Chowdhury, Sabyasachi Roy; Mishra, Sabyashachi

2017-06-28

In the search for single molecule magnets, metal ions are considered pivotal towards achieving large magnetic anisotropy barriers. In this context, the influence of ligands with heavy elements, showing large spin-orbit coupling, on magnetic anisotropy barriers was investigated using a series of Mn(ii)-based complexes, in which the metal ion did not have any orbital contribution. The mixing of metal and ligand orbitals was achieved by explicitly correlating the metal and ligand valence electrons with CASSCF calculations. The CASSCF wave functions were further used for evaluating spin-orbit coupling and zero-field splitting parameters for these complexes. For Mn(ii) complexes with heavy ligand atoms, such as Br and I, several interesting inter-state mixings occur via the spin-orbit operator, which results in large magnetic anisotropy in these Mn(ii) complexes.

Termination of the spin-resolved integer quantum Hall effect

NASA Astrophysics Data System (ADS)

Wong, L. W.; Jiang, H. W.; Palm, E.; Schaff, W. J.

1997-03-01

We report a magnetotransport study of the termination of the spin-resolved integer quantum Hall effect by controlled disorder in a gated GaAs/AlxGa1-xAs heterostructure. We have found that, for a given Nth Landau level, the difference in filling factors of a pair of spin-split resistivity peaks δνN=\\|νN↑-νN↓\\| changes rapidly from one to zero near a critical density nc. Scaling analysis shows that δνN collapses onto a single curve independent of N when plotted against the parameter (n-nc)/nc for five Landau levels. The effect of increasing the Zeeman energy is also examined by tilting the direction of magnetic field relative to the plane of the two-dimensional electron gas. Our experiment suggests the termination of the spin-resolved quantum Hall effect is a phase transition.

Luminescence and energy transfer in Lu3Al5O12 scintillators co-doped with Ce3+ and Tb3+.

PubMed

Ogiegło, Joanna M; Zych, Aleksander; Ivanovskikh, Konstantin V; Jüstel, Thomas; Ronda, Cees R; Meijerink, Andries

2012-08-23

Lu(3)Al(5)O(12) (LuAG) doped with Ce(3+) is a promising scintillator material with a high density and a fast response time. The light output under X-ray or γ-ray excitation is, however, well below the theoretical limit. In this paper the influence of codoping with Tb(3+) is investigated with the aim to increase the light output. High resolution spectra of singly doped LuAG (with Ce(3+) or Tb(3+)) are reported and provide insight into the energy level structure of the two ions in LuAG. For Ce(3+) zero-phonon lines and vibronic structure are observed for the two lowest energy 5d bands and the Stokes' shift (2 350 cm(-1)) and Huang-Rhys coupling parameter (S = 9) have been determined. Tb(3+) 4f-5d transitions to the high spin (HS) and low spin (LS) states are observed (including a zero-phonon line and vibrational structure for the high spin state). The HS-LS splitting of 5400 cm(-1) is smaller than usually observed and is explained by a reduction of the 5d-4f exchange coupling parameter J by covalency. Upon replacing the smaller Lu(3+) ion with the larger Tb(3+) ion, the crystal field splitting for the lowest 5d states increases, causing the lowest 5d state to shift below the (5)D(4) state of Tb(3+) and allowing for efficient energy transfer from Tb(3+) to Ce(3+) down to the lowest temperatures. Luminescence decay measurements confirm efficient energy transfer from Tb(3+) to Ce(3+) and provide a qualitative understanding of the energy transfer process. Co-doping with Tb(3+) does not result in the desired increase in light output, and an explanation based on electron trapping in defects is discussed.

Presence of 3d quadrupole moment in LaTiO3 studied by 47,49Ti NMR.

PubMed

Kiyama, Takashi; Itoh, Masayuki

2003-10-17

47,49Ti NMR spectra of LaTiO3 are reexamined and the orbital state of this compound is discussed. The NMR spectra of LaTiO3 taken at 1.5 K under zero external field indicate a large nuclear quadrupole splitting. This splitting is ascribed to the presence of the rather large quadrupole moment of 3d electrons at Ti sites, suggesting that the orbital liquid model proposed for LaTiO3 is inappropriate. The NMR spectra are well explained by the orbital ordering model expressed approximately as 1/square root of 3(d(xy)+d(yz)+d(zx)) originating from a crystal field effect. It is also shown that most of the orbital moment is quenched.

An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H2O)

NASA Astrophysics Data System (ADS)

Khan, Shehryar; Pollet, Rodolphe; Vuilleumier, Rodolphe; Kowalewski, Jozef; Odelius, Michael

2017-12-01

In this work, we present ab initio calculations of the zero-field splitting (ZFS) of a gadolinium complex [Gd(iii)(HPDO3A)(H2O)] sampled from an ab initio molecular dynamics (AIMD) simulation. We perform both post-Hartree-Fock (complete active space self-consistent field—CASSCF) and density functional theory (DFT) calculations of the ZFS and compare and contrast the methods with experimental data. Two different density functional approximations (TPSS and LC-BLYP) were investigated. The magnitude of the ZFS from the CASSCF calculations is in good agreement with experiment, whereas the DFT results in varying degrees overestimate the magnitude of the ZFS for both functionals and exhibit a strong functional dependence. It was found in the sampling over the AIMD trajectory that the fluctuations in the transient ZFS tensor derived from DFT are not correlated with those of CASSCF nor does the magnitude of the ZFS from CASSCF and DFT correlate. From the fluctuations in the ZFS tensor, we extract a correlation time of the transient ZFS which is on the sub-picosecond time scale, showing a faster decay than experimental estimates.

Di-nuclear Cu(I) Complex with Combined Bright TADF and Phosphorescence. Zero-Field Splitting and Spin-Lattice Relaxation Effects of the Triplet State.

PubMed

Schinabeck, Alexander; Leitl, Markus J; Yersin, Hartmut

2018-05-11

The three-fold bridged di-nuclear Cu(I) complex Cu 2 (µ-I) 2 (1N-n-butyl-5-diphenyl-phosphino-1,2,4-triazole) 3 , Cu 2 I 2 (P^N) 3 , shows bright thermally activated delayed fluorescence (TADF) as well as phosphorescence at ambient temperature with a total quantum yield of 85 % at an emission decay time of 7 μs. The singlet(S 1 )-triplet(T 1 ) energy gap is as small as only 430 cm -1 (54 meV). Spin-orbit-coupling induces a short-lived phosphorescence with a decay time of 52 μs (T = 77 K) and a distinct zero-field splitting (ZFS) of T 1 into substates by ≈ 2.5 cm -1 (0.3 meV). Below T ≈ 10 K, effects of spin-lattice relaxation (SLR) are observed and agree with the size of ZFS. According to the combined phosphorescence and TADF, the overall emission decay time is reduced by ≈ 13 % as compared to the TADF-only process. The compound may potentially be applied in solution-processed OLEDs exploiting both the singlet and triplet harvesting mechanisms.

Magnetic anisotropy in nickel complexes as determined by combined magnetic susceptibility/magnetization/theoretical studies

NASA Astrophysics Data System (ADS)

Mašlejová, Anna; Boča, Roman; Dlháň, L.'ubor; Herchel, Radovan

2004-05-01

The zero-field splitting in nickel(II) complexes was modeled by considering all relevant operators (electron repulsion, crystal-field, spin-orbit coupling, orbital-Zeeman, and spin-Zeeman) in the complete basis set spanned by d n-atomic terms. D-values between weak and strong crystal field limits were evaluated from the crystal-field multiplets as well as using the spin Hamiltonian formalism. Importance of the anisotropic orbital reduction factors is discussed and exemplified by D/hc=-22 cm-1 as subtracted from magnetic data for [Ni(imidazole) 4(acetate) 2] complex.

International Conference on Quantum Chemical Calculations of NMR and EPR Parameters Held in Castle Smolenice, Slovak Republic on September 14-18 1998

DTIC Science & Technology

1998-10-21

site. The electric-field- induced linear shift is also observed in the hyperfine splitting of nuclear quadrupole resonance ( NQR ) spectrum of a nucleus...located at a noncentrosymmetric site in a molecule or in crystal lattice. Thus, the linear electric field effect on the ESR and NQR hyperfine splitting...the electric field effects on ESR and NQR hyperfine couplings. Theoretical methods to calculate the electric field effects within Hartree-Fock

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.

PubMed

Suturina, Elizaveta A; Nehrkorn, Joscha; Zadrozny, Joseph M; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R; Neese, Frank

2017-03-06

The magnetic properties of pseudotetrahedral Co(II) complexes spawned intense interest after (PPh 4 ) 2 [Co(SPh) 4 ] was shown to be the first mononuclear transition-metal complex displaying slow relaxation of the magnetization in the absence of a direct current magnetic field. However, there are differing reports on its fundamental magnetic spin Hamiltonian (SH) parameters, which arise from inherent experimental challenges in detecting large zero-field splittings. There are also remarkable changes in the SH parameters of [Co(SPh) 4 ] 2- upon structural variations, depending on the counterion and crystallization conditions. In this work, four complementary experimental techniques are utilized to unambiguously determine the SH parameters for two different salts of [Co(SPh) 4 ] 2- : (PPh 4 ) 2 [Co(SPh) 4 ] (1) and (NEt 4 ) 2 [Co(SPh) 4 ] (2). The characterization methods employed include multifield SQUID magnetometry, high-field/high-frequency electron paramagnetic resonance (HF-EPR), variable-field variable-temperature magnetic circular dichroism (VTVH-MCD), and frequency domain Fourier transform THz-EPR (FD-FT THz-EPR). Notably, the paramagnetic Co(II) complex [Co(SPh) 4 ] 2- shows strong axial magnetic anisotropy in 1, with D = -55(1) cm -1 and E/D = 0.00(3), but rhombic anisotropy is seen for 2, with D = +11(1) cm -1 and E/D = 0.18(3). Multireference ab initio CASSCF/NEVPT2 calculations enable interpretation of the remarkable variation of D and its dependence on the electronic structure and geometry.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

NASA Astrophysics Data System (ADS)

Chauvin, Nicolas; Mavel, Amaury; Jaffal, Ali; Patriarche, Gilles; Gendry, Michel

2018-02-01

Excitation photoluminescence spectroscopy is usually used to extract the crystal field splitting (ΔCR) and spin orbit coupling (ΔSO) parameters of wurtzite (Wz) InP nanowires (NWs). However, the equations expressing the valence band splitting are symmetric with respect to these two parameters, and a choice ΔCR > ΔSO or ΔCR < ΔSO has to be taken into account in order to assign the numerical values. To solve this issue, polarization resolved micro-photoluminescence was performed on vertically aligned and untapered Wz InP NWs grown on silicon. The experimental results combined with a theoretical model and finite difference time domain calculations allow us to conclude that ΔCR > ΔSO in Wz InP.

Magnon-induced superconductivity in field-cooled spin-1/2 antiferromagnets

NASA Astrophysics Data System (ADS)

Karchev, Naoum

2017-12-01

If, during the preparation, an external magnetic field is applied upon cooling we say it has been field cooled. A novel mechanism for insulator-metal transition and superconductivity in field-cooled spin-1 /2 antiferromagnets on bcc lattice is discussed. Applying a magnetic field along the sublattice B magnetization, we change the magnetic and transport properties of the material. There is a critical value Hcr1. When the magnetic field is below the critical one H Hcr1 the sublattice A electrons are delocalized and the material is metal. There is a second critical value Hcr2>Hcr1 . When H =Hcr2 , it is shown that the Zeeman splitting of the sublattice A electrons is zero and they do not contribute to the magnetization of the system. At this quantum partial order point (QPOP) the sublattice B transversal spin fluctuations (magnons) interact with sublattice A electrons inducing spin antiparallel p -wave superconductivity which coexists with magnetism. At zero temperature the magnetic moment of sublattice B electrons is maximal. Below the Néel temperature (TN) the gap is approximately constant with a small increase when the system approaches TN. It abruptly falls down to zero at temperatures above TN.

Stepwise formation of H3O(+)(H2O)n in an ion drift tube: Empirical effective temperature of association/dissociation reaction equilibrium in an electric field.

PubMed

Nakai, Yoichi; Hidaka, Hiroshi; Watanabe, Naoki; Kojima, Takao M

2016-06-14

We measured equilibrium constants for H3O(+)(H2O)n-1 + H2O↔H3O(+)(H2O)n (n = 4-9) reactions taking place in an ion drift tube with various applied electric fields at gas temperatures of 238-330 K. The zero-field reaction equilibrium constants were determined by extrapolation of those obtained at non-zero electric fields. From the zero-field reaction equilibrium constants, the standard enthalpy and entropy changes, ΔHn,n-1 (0) and ΔSn,n-1 (0), of stepwise association for n = 4-8 were derived and were in reasonable agreement with those measured in previous studies. We also examined the electric field dependence of the reaction equilibrium constants at non-zero electric fields for n = 4-8. An effective temperature for the reaction equilibrium constants at non-zero electric field was empirically obtained using a parameter describing the electric field dependence of the reaction equilibrium constants. Furthermore, the size dependence of the parameter was thought to reflect the evolution of the hydrogen-bond structure of H3O(+)(H2O)n with the cluster size. The reflection of structural information in the electric field dependence of the reaction equilibria is particularly noteworthy.

Top and Split Gating Control of the Electrical Characteristics of a Two-dimensional Electron Gas in a LaAlO3/SrTiO3 Perovskite

NASA Astrophysics Data System (ADS)

Kwak, Yongsu; Song, Jonghyun; Kim, Jihwan; Kim, Jinhee

2018-04-01

A top gate field effect transistor was fabricated using polymethyl methacrylate (PMMA) as a gate insulator on a LaAlO3 (LAO)/SrTiO3 (STO) hetero-interface. It showed n-type behavior, and a depletion mode was observed at low temperature. The electronic properties of the 2-dimensional electron gas at the LAO/STO hetero-interface were not changed by covering LAO with PMMA following the Au top gate electrode. A split gate device was also fabricated to construct depletion mode by using a narrow constriction between the LAO/STO conduction interface. The depletion mode, as well as superconducting critical current, could be controlled by applying a split gate voltage. Noticeably, the superconducting critical current tended to decrease with decreasing the split gate voltage and finally became zero. These results indicate that a weak-linked Josephson junction can be constructed and destroyed by split gating. This observation opens the possibility of gate-voltage-adjustable quantum devices.

Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes.

PubMed

Schweinfurth, David; Krzystek, J; Atanasov, Mihail; Klein, Johannes; Hohloch, Stephan; Telser, Joshua; Demeshko, Serhiy; Meyer, Franc; Neese, Frank; Sarkar, Biprajit

2017-05-01

Understanding the origin of magnetic anisotropy and having the ability to tune it are essential needs of the rapidly developing field of molecular magnetism. Such attempts at determining the origin of magnetic anisotropy and its tuning are still relatively infrequent. One candidate for such attempts are mononuclear Co(II) complexes, some of which have recently been shown to possess slow relaxation of their magnetization. In this contribution we present four different five-coordinated Co(II) complexes, 1-4, that contain two different "click" derived tetradentate tripodal ligands and either Cl - or NCS - as an additional, axial ligand. The geometric structures of all four complexes are very similar. Despite this, major differences are observed in their electronic structures and hence in their magnetic properties as well. A combination of temperature dependent susceptibility measurements and high-frequency and -field EPR (HFEPR) spectroscopy was used to accurately determine the magnetic properties of these complexes, expressed through the spin Hamiltonian parameters: g-values and zero-field splitting (ZFS) parameters D and E. A combination of optical d-d absorption spectra together with ligand field theory was used to determine the B and Dq values of the complexes. Additionally, state of the art quantum chemical calculations were applied to obtain bonding parameters and to determine the origin of magnetic anisotropy in 1-4. This combined approach showed that the D values in these complexes are in the range from -9 to +9 cm -1 . Correlations have been drawn between the bonding nature of the ligands and the magnitude and sign of D. These results will thus have consequences for generating novel Co(II) complexes with tunable magnetic anisotropy and hence contribute to the field of molecular magnetism.

Quantum Transport Properties in Two-Dimensional and Low Dimensional Systems

NASA Astrophysics Data System (ADS)

Fang, Hao

1991-02-01

The quantum transport properties in quasi two -dimensional and zero-dimensional systems have been studied at magnetic field of 0 - 8T and low temperatures down to 1.3K. In the (100) Si inversion layer, we investigated the effect of valley splitting on the value of the enhanced effective g factor by the tilted magnetic field measurement. The valley splitting is determined from the beat effect on samples with measurable valley splitting behavior due to misorientation effects. Experimental results illustrate that the effective g factor is enhanced by many body interactions and that the valley splitting has no obvious effect on the g-value. A simulation calculation with a Gaussian distribution of density of states has been carried out and the simulated results are in an excellent agreement with the experimental data. A new and very simple technique has been developed for fabricating two-dimensional periodic submicron structures with feature sizes down to about 300 A. The etching mask is made by coating the material surface with a monolayer of close-packed uniform latex particles. We have demonstrated the formation of a quasi zero-dimensional quantum dot array and performed capacitance measurements on GaAs/AlGaAs heterostructure samples with periodicities ranging from 3000 to 4000 A. A series of nearly equally spaced peaks in a curve of the derivative of capacitance with respect to gate voltage, which corresponds to the energy levels formed by the lateral electric confining potential, is observed. The energy spacings and effective dot widths estimated from a simple parabolic potential model are consistent with the experimental data. Novel magnetoresistance oscillations in a two -dimensional electron gas modulated by a two-dimensional triangular superlattice potential are observed in GaAs/AlGaAs heterostructures. The new oscillations appear at very low magnetic fields and the peak positions are directly determined by the magnetic field and the periodicity of the modulation structure. New oscillation results from the modulation-broadened Landau bandwidth and the induced density of states variation with magnetic field. Physical explanations and theoretical approaches for the commensurability problem in a two-dimensional triangular superlattice potential are presented. The differences in oscillation frequencies and phase factors for two kinds of samples correlate with structures differing in degree of depletion and the resulting geometry.

Slow magnetic relaxation at zero field in the tetrahedral complex [Co(SPh)4]2-.

PubMed

Zadrozny, Joseph M; Long, Jeffrey R

2011-12-28

The Ph(4)P(+) salt of the tetrahedral complex [Co(SPh)(4)](2-), possessing an S = (3)/(2) ground state with an axial zero-field splitting of D = -70 cm(-1), displays single-molecule magnet behavior in the absence of an applied magnetic field. At very low temperatures, ac magnetic susceptibility data show the magnetic relaxation time, τ, to be temperature-independent, while above 2.5 K thermally activated Arrhenius behavior is apparent with U(eff) = 21(1) cm(-1) and τ(0) = 1.0(3) × 10(-7) s. Under an applied field of 1 kOe, τ more closely approximates Arrhenius behavior over the entire temperature range. Upon dilution of the complex within a matrix of the isomorphous compound (Ph(4)P)(2)[Zn(SPh)(4)], ac susceptibility data reveal the molecular nature of the slow magnetic relaxation and indicate that the quantum tunneling pathway observed at low temperatures is likely mediated by intermolecular dipolar interactions. © 2011 American Chemical Society

Landau level splitting due to graphene superlattices

NASA Astrophysics Data System (ADS)

Pal, G.; Apel, W.; Schweitzer, L.

2012-06-01

The Landau level spectrum of graphene superlattices is studied using a tight-binding approach. We consider noninteracting particles moving on a hexagonal lattice with an additional one-dimensional superlattice made up of periodic square potential barriers, which are oriented along the zigzag or along the armchair directions of graphene. In the presence of a perpendicular magnetic field, such systems can be described by a set of one-dimensional tight-binding equations, the Harper equations. The qualitative behavior of the energy spectrum with respect to the strength of the superlattice potential depends on the relation between the superlattice period and the magnetic length. When the potential barriers are oriented along the armchair direction of graphene, we find for strong magnetic fields that the zeroth Landau level of graphene splits into two well-separated sublevels, if the width of the barriers is smaller than the magnetic length. In this situation, which persists even in the presence of disorder, a plateau with zero Hall conductivity can be observed around the Dirac point. This Landau level splitting is a true lattice effect that cannot be obtained from the generally used continuum Dirac-fermion model.

Simulations of Resonant Intraband and Interband Tunneling Spin Filters

NASA Technical Reports Server (NTRS)

Ting, David; Cartoixa-Soler, Xavier; McGill, T. C.; Smith, Darryl L.; Schulman, Joel N.

2001-01-01

This viewgraph presentation reviews resonant intraband and interband tunneling spin filters It explores the possibility of building a zero-magnetic-field spin polarizer using nonmagnetic III-V semiconductor heterostructures. It reviews the extensive simulations of quantum transport in asymmetric InAs/GaSb/AlSb resonant tunneling structures with Rashba spin splitting and proposes a. new device concept: side-gated asymmetric Resonant Interband Tunneling Diode (a-RITD).

Split-step eigenvector-following technique for exploring enthalpy landscapes at absolute zero.

PubMed

Mauro, John C; Loucks, Roger J; Balakrishnan, Jitendra

2006-03-16

The mapping of enthalpy landscapes is complicated by the coupling of particle position and volume coordinates. To address this issue, we have developed a new split-step eigenvector-following technique for locating minima and transition points in an enthalpy landscape at absolute zero. Each iteration is split into two steps in order to independently vary system volume and relative atomic coordinates. A separate Lagrange multiplier is used for each eigendirection in order to provide maximum flexibility in determining step sizes. This technique will be useful for mapping the enthalpy landscapes of bulk systems such as supercooled liquids and glasses.

An "intermediate spin" nickel hydride complex stemming from delocalized Ni2(μ-H)2 bonding.

PubMed

Yao, Shu A; Corcos, Amanda R; Infante, Ivan; Hillard, Elizabeth A; Clérac, Rodolphe; Berry, John F

2014-10-01

The nickel hydride complex [Cp'Ni(μ-H)]2 (1, Cp' = 1,2,3,4-tetraisopropylcyclopentadienyl) is found to have a strikingly short Ni-Ni distance of 2.28638(3) Å. Variable temperature and field magnetic measurements indicate an unexpected triplet ground state for 1 with a large zero-field splitting of +90 K (63 cm(-1)). Electronic structure calculations (DFT and CASSCF/CASPT2) explain this ground state as arising from half occupation of two nearly degenerate Ni-Ni π* orbitals.

Crystal-field splittings in rare-earth-based hard magnets: An ab initio approach

NASA Astrophysics Data System (ADS)

Delange, Pascal; Biermann, Silke; Miyake, Takashi; Pourovskii, Leonid

2017-10-01

We apply the first-principles density functional theory + dynamical mean-field theory framework to evaluate the crystal-field splitting on rare-earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for local correlations on the rare-earth 4 f shell and self-consistency in the charge density is implemented. We reduce the density functional theory self-interaction contribution to the crystal-field splitting by properly averaging the 4 f charge density before recalculating the one-electron Kohn-Sham potential. Our approach is shown to reproduce the experimental crystal-field splitting in the prototypical rare-earth hard magnet SmCo5. Applying it to R Fe12 and R Fe12X hard magnets (R =Nd , Sm and X =N , Li), we obtain in particular a large positive value of the crystal-field parameter A20〈r2〉 in NdFe12N resulting in a strong out-of-plane anisotropy observed experimentally. The sign of A20〈r2〉 is predicted to be reversed by substituting N with Li, leading to a strong out-of-plane anisotropy in SmFe12Li . We discuss the origin of this strong impact of N and Li interstitials on the crystal-field splitting on rare-earth sites.

Single crystal EPR, optical absorption and superposition model study of Cr3+ doped ammonium dihydrogen phosphate.

PubMed

Kripal, Ram; Pandey, Sangita

2010-06-01

The electron paramagnetic resonance (EPR) studies are carried out on Cr(3+) ion doped ammonium dihydrogen phosphate (ADP) single crystals at room temperature. Four magnetically inequivalent sites for chromium are observed. No hyperfine structure is obtained. The crystal-field and spin Hamiltonian parameters are calculated from the resonance lines obtained at different angular rotations. The zero field and spin Hamiltonian parameters of Cr(3+) ion in ADP are calculated as: |D|=(257+/-2) x 10(-4) cm(-1), |E|=(79+/-2) x 10(-4) cm(-1), g=1.9724+/-0.0002 for site I; |D|=(257+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.9727+/-0.0002 for site II; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(78+/-2) x 10(-4) cm(-1), g=1.9733+/-0.0002 for site III; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.973+/-0.0002 for site IV, respectively. The site symmetry of Cr(3+) doped single crystal is discussed on the basis of EPR data. The Cr(3+) ion enters the lattice substitutionally replacing the NH(4)(+) sites. The optical absorption spectra are recorded in 195-925 nm wavelength range at room temperature. The energy values of different orbital levels are determined. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The calculated values of Racah interelectronic repulsion parameters (B and C), cubic crystal-field splitting parameter (D(q)) and nephelauxetic parameters (h and k) are: B=640, C=3070, D(q)=2067 cm(-1), h=1.44 and k=0.21, respectively. ZFS parameters are also determined using B(kq) parameters from superposition model. Copyright 2010 Elsevier B.V. All rights reserved.

Interlayer tunneling in double-layer quantum hall pseudoferromagnets.

PubMed

Balents, L; Radzihovsky, L

2001-02-26

We show that the interlayer tunneling I-V in double-layer quantum Hall states displays a rich behavior which depends on the relative magnitude of sample size, voltage length scale, current screening, disorder, and thermal lengths. For weak tunneling, we predict a negative differential conductance of a power-law shape crossing over to a sharp zero-bias peak. An in-plane magnetic field splits this zero-bias peak, leading instead to a "derivative" feature at V(B)(B(parallel)) = 2 pi Planck's over 2 pi upsilon B(parallel)d/e phi(0), which gives a direct measurement of the dispersion of the Goldstone mode corresponding to the spontaneous symmetry breaking of the double-layer Hall state.

Constraints on mirror models of dark matter from observable neutron-mirror neutron oscillation

NASA Astrophysics Data System (ADS)

Mohapatra, Rabindra N.; Nussinov, Shmuel

2018-01-01

The process of neutron-mirror neutron oscillation, motivated by symmetric mirror dark matter models, is governed by two parameters: n -n‧ mixing parameter δ and n -n‧ mass splitting Δ. For neutron mirror neutron oscillation to be observable, the splitting between their masses Δ must be small and current experiments lead to δ ≤ 2 ×10-27 GeV and Δ ≤10-24 GeV. We show that in mirror universe models where this process is observable, this small mass splitting constrains the way that one must implement asymmetric inflation to satisfy the limits of Big Bang Nucleosynthesis on the number of effective light degrees of freedom. In particular we find that if asymmetric inflation is implemented by inflaton decay to color or electroweak charged particles, the oscillation is unobservable. Also if one uses SM singlet fields for this purpose, they must be weakly coupled to the SM fields.

Splitting parameter yield (SPY): A program for semiautomatic analysis of shear-wave splitting

NASA Astrophysics Data System (ADS)

Zaccarelli, Lucia; Bianco, Francesca; Zaccarelli, Riccardo

2012-03-01

SPY is a Matlab algorithm that analyzes seismic waveforms in a semiautomatic way, providing estimates of the two observables of the anisotropy: the shear-wave splitting parameters. We chose to exploit those computational processes that require less intervention by the user, gaining objectivity and reliability as a result. The algorithm joins the covariance matrix and the cross-correlation techniques, and all the computation steps are interspersed by several automatic checks intended to verify the reliability of the yields. The resulting semiautomation generates two new advantages in the field of anisotropy studies: handling a huge amount of data at the same time, and comparing different yields. From this perspective, SPY has been developed in the Matlab environment, which is widespread, versatile, and user-friendly. Our intention is to provide the scientific community with a new monitoring tool for tracking the temporal variations of the crustal stress field.

Andreev spectrum with high spin-orbit interactions: Revealing spin splitting and topologically protected crossings

NASA Astrophysics Data System (ADS)

Murani, A.; Chepelianskii, A.; Guéron, S.; Bouchiat, H.

2017-10-01

In order to point out experimentally accessible signatures of spin-orbit interaction, we investigate numerically the Andreev spectrum of a multichannel mesoscopic quantum wire (N) with high spin-orbit interaction coupled to superconducting electrodes (S), contrasting topological and nontopological behaviors. In the nontopological case (square lattice with Rashba interactions), we find that the Kramers degeneracy of Andreev levels is lifted by a phase difference between the S reservoirs except at multiples of π , when the normal quantum wires can host several conduction channels. The level crossings at these points invariant by time-reversal symmetry are not lifted by disorder. Whereas the dc Josephson current is insensitive to these level crossings, the high-frequency admittance (susceptibility) at finite temperature reveals these level crossings and the lifting of their degeneracy at π by a small Zeeman field. We have also investigated the hexagonal lattice with intrinsic spin-orbit interaction in the range of parameters where it is a two-dimensional topological insulator with one-dimensional helical edges protected against disorder. Nontopological superconducting contacts can induce topological superconductivity in this system characterized by zero-energy level crossing of Andreev levels. Both Josephson current and finite-frequency admittance carry then very specific signatures at low temperature of this disorder-protected Andreev level crossing at π and zero energy.

Dissecting the accountability of parameterized and parameter-free single-hybrid and double-hybrid functionals for photophysical properties of TADF-based OLEDs

NASA Astrophysics Data System (ADS)

Alipour, Mojtaba; Karimi, Niloofar

2017-06-01

Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) emitters are an attractive category of materials that have witnessed a booming development in recent years. In the present contribution, we scrutinize the accountability of parameterized and parameter-free single-hybrid (SH) and double-hybrid (DH) functionals through the two formalisms, full time-dependent density functional theory (TD-DFT) and Tamm-Dancoff approximation (TDA), for the estimation of photophysical properties like absorption energy, emission energy, zero-zero transition energy, and singlet-triplet energy splitting of TADF molecules. According to our detailed analyses on the performance of SHs based on TD-DFT and TDA, the TDA-based parameter-free SH functionals, PBE0 and TPSS0, with one-third of exact-like exchange turned out to be the best performers in comparison to other functionals from various rungs to reproduce the experimental data of the benchmarked set. Such affordable SH approximations can thus be employed to predict and design the TADF molecules with low singlet-triplet energy gaps for OLED applications. From another perspective, considering this point that both the nonlocal exchange and correlation are essential for a more reliable description of large charge-transfer excited states, applicability of the functionals incorporating these terms, namely, parameterized and parameter-free DHs, has also been evaluated. Perusing the role of exact-like exchange, perturbative-like correlation, solvent effects, and other related factors, we find that the parameterized functionals B2π-PLYP and B2GP-PLYP and the parameter-free models PBE-CIDH and PBE-QIDH have respectable performance with respect to others. Lastly, besides the recommendation of reliable computational protocols for the purpose, hopefully this study can pave the way toward further developments of other SHs and DHs for theoretical explorations in the field of OLEDs technology.

Anisotropic semivortices in dipolar spinor condensates controlled by Zeeman splitting

NASA Astrophysics Data System (ADS)

Liao, Bingjin; Li, Shoubo; Huang, Chunqing; Luo, Zhihuan; Pang, Wei; Tan, Haishu; Malomed, Boris A.; Li, Yongyao

2017-10-01

Spatially anisotropic solitary vortices, i.e., bright anisotropic vortex solitons (AVSs), supported by anisotropic dipole-dipole interactions, were recently predicted in spin-orbit-coupled binary Bose-Einstein condensates (BECs), in the form of two-dimensional semivortices (complexes built of zero-vorticity and vortical components). We demonstrate that the shape of the AVSs—horizontal or vertical, with respect to the in-plane polarization of the atomic dipole moments in the underlying BEC—may be effectively controlled by the strength Ω of the Zeeman splitting (ZS). A transition from the horizontal to vertical shape with the increase of Ω is found numerically and explained analytically. At the transition point, the AVS assumes the shape of an elliptical ring. The mobility of horizontal AVSs is studied, too, with the conclusion that, with the increase of Ω , their negative effective mass changes the sign to positive via a point at which the effective mass diverges. Lastly, we report a new species of inverted AVSs, with the zero-vorticity and vortex component placed in lower- and higher-energy components, as defined by the ZS. They are excited states, with respect to the ground states provided by the usual AVSs. Quite surprisingly, inverted AVSs are stable in a large parameter region.

Families of one-point interactions resulting from the squeezing limit of the sum of two- and three-delta-like potentials

NASA Astrophysics Data System (ADS)

Zolotaryuk, A. V.

2017-06-01

Several families of one-point interactions are derived from the system consisting of two and three δ-potentials which are regularized by piecewise constant functions. In physical terms such an approximating system represents two or three extremely thin layers separated by some distance. The two-scale squeezing of this heterostructure to one point as both the width of δ-approximating functions and the distance between these functions simultaneously tend to zero is studied using the power parameterization through a squeezing parameter \\varepsilon \\to 0 , so that the intensity of each δ-potential is cj =aj \\varepsilon1-μ , aj \\in {R} , j  =  1, 2, 3, the width of each layer l =\\varepsilon and the distance between the layers r = c\\varepsilon^τ , c  >  0. It is shown that at some values of the intensities a 1, a 2 and a 3, the transmission across the limit point potentials is non-zero, whereas outside these (resonance) values the one-point interactions are opaque splitting the system at the point of singularity into two independent subsystems. Within the interval 1 < μ < 2 , the resonance sets consist of two curves on the (a_1, a_2) -plane and three surfaces in the (a_1, a_2, a_3) -space. As the parameter μ approaches the value μ =2 , three types of splitting the one-point interactions into countable families are observed.

Syntheses, X-ray structures, solid state high-field electron paramagnetic resonance, and density-functional theory investigations on chloro and aqua Mn(II) mononuclear complexes with amino-pyridine pentadentate ligands.

PubMed

Hureau, Christelle; Groni, Sihem; Guillot, Régis; Blondin, Geneviève; Duboc, Carole; Anxolabéhère-Mallart, Elodie

2008-10-20

The two pentadentate amino-pyridine ligands L5(2) and L5(3) (L5(2) and L5(3) stand for the N-methyl-N,N',N'-tris(2-pyridylmethyl)ethane-1,2-diamine and the N-methyl-N,N',N'-tris(2-pyridylmethyl)propane-1,3-diamine, respectively) were used to synthesize four mononuclear Mn(II) complexes, namely [(L5(2))MnCl](PF6) (1(PF6)), [(L5(3))MnCl](PF6) (2(PF6)), [(L5(2))Mn(OH2)](BPh4)2 (3(BPh4)2), and [(L5(3))Mn(OH2)](BPh4)2 (4(BPh4)2). The X-ray diffraction studies revealed different configurations for the ligand L5(n) (n = 2, 3) depending on the sixth exogenous ligand and/or the counterion. Solid state high-field electron paramagnetic resonance spectra were recorded on complexes 1-4 as on previously described mononuclear Mn(II) systems with tetra- or hexadentate amino-pyridine ligands. Positive and negative axial zero-field splitting (ZFS) parameters D were determined whose absolute values ranged from 0.090 to 0.180 cm(-1). Density-functional theory calculations were performed unraveling that, in contrast with chloro systems, the spin-spin and spin-orbit coupling contributions to the D-parameter are comparable for mixed N,O-coordination sphere complexes.

Pentacoordinate and Hexacoordinate Mn(III) Complexes of Tetradentate Schiff-Base Ligands Containing Tetracyanidoplatinate(II) Bridges and Revealing Uniaxial Magnetic Anisotropy.

PubMed

Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk

2016-12-08

Crystal structures and magnetic properties of polymeric and trinuclear heterobimetallic Mn III ···Pt II ···Mn III coordination compounds, prepared from the Ba[Pt(CN)₄] and [Mn(L4A/B)(Cl)] ( 1a / b ) precursor complexes, are reported. The polymeric complex [{Mn(L4A)}₂{μ⁴-Pt(CN)₄}] n ( 2a ), where H₂L4A = N , N '-ethylene-bis(salicylideneiminate), comprises the {Mn(L4A)} moieties covalently connected through the [Pt(CN)₄] 2- bridges, thus forming a square-grid polymeric structure with the hexacoordinate Mn III atoms. The trinuclear complex [{Mn(L4B)}₂{μ-Pt(CN)₄}] ( 2b ), where H₂L4B = N , N '-benzene-bis(4-aminodiethylene-salicylideneiminate), consists of two [{Mn(L4B)} moieties, involving pentacoordinate Mn III atoms, bridged through the tetracyanidoplatinate (II) bridges to which they are coordinated in a trans fashion. Both complexes possess uniaxial type of magnetic anisotropy, with D (the axial parameter of zero-field splitting) = -3.7(1) in 2a and -2.2(1) cm -1 in 2b . Furthermore, the parameters of magnetic anisotropy 2a and 2b were also thoroughly studied by theoretical complete active space self-consistent field (CASSCF) methods, which revealed that the former is much more sensitive to the ligand field strength of the axial ligands.

Actual and Idealized Crystal Field Parameterizations for the Uranium Ions in UF 4

NASA Astrophysics Data System (ADS)

Gajek, Z.; Mulak, J.; Krupa, J. C.

1993-12-01

The crystal field parameters for the actual coordination symmetries of the uranium ions in UF 4, C2 and C1, and for their idealizations to D2, C2 v , D4, D4 d , and the Archimedean antiprism point symmetries are given. They have been calculated by means of both the perturbative ab initio model and the angular overlap model and are referenced to the recent results fitted by Carnall's group. The equivalency of some different sets of parameters has been verified with the standardization procedure. The adequacy of several idealized approaches has been tested by comparison of the corresponding splitting patterns of the 3H 4 ground state. Our results support the parameterization given by Carnall. Furthermore, the parameterization of the crystal field potential and the splitting diagram for the symmetryless uranium ion U( C1) are given. Having at our disposal the crystal field splittings for the two kinds of uranium ions in UF 4, U( C2) and U( C1), we calculate the model plots of the paramagnetic susceptibility χ( T) and the magnetic entropy associated with the Schottky anomaly Δ S( T) for UF 4.

Flux trapping in multi-loop SQUIDs and its impact on SQUID-based absolute magnetometry

NASA Astrophysics Data System (ADS)

Schönau, T.; Zakosarenko, V.; Schmelz, M.; Anders, S.; Meyer, H.-G.; Stolz, R.

2018-07-01

The effect of flux trapping on the flux-voltage characteristics of multi-loop SQUID magnetometers was investigated by means of repeated cool-down cycles in a stepwise increased magnetic background field. For a SQUID with N parallel loops, N different flux offsets, each separated by {{{Φ }}}0/N, were observed even in zero magnetic field. These flux offsets further split into a so called fine structure, which can be explained by minor asymmetries in the SQUID design. The observed results are discussed with particular regard to their impact on the previously presented absolute SQUID cascade vector magnetometer.

Laser induced fluorescence of BaS: Sm phosphor and energy level splitting of Sm 3+ ion

NASA Astrophysics Data System (ADS)

Thomas, Reethamma; Nampoori, V. P. N.

1990-03-01

Fluorescence of BaS: Sm phosphor has been studied using a pulsed Nitrogen laser (337.1 nm) as the excitation source. The spectrum consists of a broad band in the region 540-660nm superposed by the characteristic Sm 3+ lines. Energy level splitting pattern of Sm 3+ due to crystal field effects has been calculated and relevent field parameters are evaluated. Analysis shows that Sm 3+ takes up Ba 2+ substitutional sites.

Effects of Zeeman splitting on spin transportation in a three-terminal Rashba ring under a weak magnetic field

NASA Astrophysics Data System (ADS)

Zhai, Li-Xue; Wang, Yan; An, Zhong

2018-05-01

Spin-dependent transport in one-dimensional (1D) three-terminal Rashba rings is investigated under a weak magnetic field, and we focus on the Zeeman splitting (ZS) effect. For this purpose, the interaction between the electron spin and the weak magnetic field has been treated by perturbation theory. ZS removes the spin degeneracy, and breaks both the time reversal symmetry and the spin reversal symmetry of the ring system. Consequently, all conductance zeros are lifted and turned into conductance dips. Aharonov-Bohm (AB) oscillations can be found in both branch conductances and the total conductance as a function of the magnetic field. In a relatively high magnetic field, the decoherence caused by ZS decreases the amplitude of the branch conductance and increases that of the total conductance. The results have been compared with those reported in the published literature, and a reasonable agreement is obtained. The conductance as a function of the Rashba spin-orbit coupling (RSOC) strength has also been investigated. As the RSOC strength increases, the role of ZS becomes weaker and weaker; ZS can even be neglected when B ≤ 0.1 T.

Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds.

PubMed

Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

2011-04-21

Spin-orbit and spin-spin contributions to the zero-field splitting (ZFS) tensors (D tensors) of spin-triplet phenyl-, naphthyl-, and anthryl-nitrenes in their ground state are investigated by quantum chemical calculations, focusing on the effects of the ring size and substituted position of nitrene on the D tensor. A hybrid CASSCF/MRMP2 approach to the spin-orbit term of the D tensor (D(SO) tensor), which was recently proposed by us, has shown that the spin-orbit contribution to the entire D value, termed the ZFS parameter or fine-structure constant, is about 10% in all the arylnitrenes under study and less depends on the size and connectivity of the aryl groups. Order of the absolute values for D(SO) can be explained by the perturbation on the energy level and spatial distributions of π-SOMO through the orbital interaction between SOMO of the nitrene moiety and frontier orbitals of the aryl scaffolds. Spin-spin contribution to the D tensor (D(SS) tensor) has been calculated in terms of the McWeeny-Mizuno equation with the DFT/EPR-II spin densities. The D(SS) value calculated with the RO-B3LYP spin density agrees well with the D(Exptl) -D(SO) reference value in phenylnitrene, but agreement with the reference value gradually becomes worse as the D value decreases. Exchange-correlation functional dependence on the D(SS) tensor has been explored with standard 23 exchange-correlation functionals in both RO- and U-DFT methodologies, and the RO-HCTH/407 method gives the best agreement with the D(Exptl) -D(SO) reference value. Significant exchange-correlation functional dependence is observed in spin-delocalized systems such as 9-anthrylnitrene (6). By employing the hybrid CASSCF/MRMP2 approach and the McWeeny-Mizuno equation combined with the RO-HCTH/407/EPR-II//U-HCTH/407/6-31G* spin densities for D(SO) and D(SS), respectively, a quantitative agreement with the experiment is achieved with errors less than 10% in all the arylnitrenes under study. Guidelines to the putative approaches to D(SS) tensor calculations are given.

Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl.

PubMed

Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

2016-03-21

The inner C-benzyl- and C-o-xylyl (or m-xylyl, p-xylyl)-substituted cobalt(ii) complexes of a 2-N-substituted N-confused porphyrin were synthesized from the reaction of 2-NC3H5NCTPPH (1) and CoCl2·6H2O in toluene (or o-xylene, m-xylene, p-xylene). The crystal structures of diamagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N',N'')zinc(ii) [Zn(2-NC3H5-21-H-NCTPP)Cl; 3 ] and paramagnetic chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-benzyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-CH2C6H5NCTPP)Cl; 7], and chloro(2-aza-2-allyl-5,10,15,20-tetraphenyl-21-Y-xylyl-21-carbaporphyrinato-N,N',N'')cobalt(ii) [Co(2-NC3H5-21-Y-CH2C6H4CH3NCTPP)Cl] [Y = o (8), m (9), p (10)] were determined. The coordination sphere around the Zn(2+) (or Co(2+)) ion in 3 (or 7-10) is a distorted tetrahedron (DT). The free energy of activation at the coalescence temperature Tc for the exchange of phenyl ortho protons o-H (26) with o-H (22) in 3 in a CDCl3 solvent is found to be ΔG = 61.4 kJ mol(-1) through (1)H NMR temperature-dependent measurements. The axial zero-field splitting parameter |D| was found to vary from 35.6 cm(-1) in 7 (or 30.7 cm(-1) in 8) to 42.0 cm(-1) in 9 and 46.9 cm(-1) in 10 through paramagnetic susceptibility measurements. The magnitude of |D| can be related to the coordination sphere at the cobalt sites.

Continuous-wave EPR at 275 GHz: Application to high-spin Fe 3+ systems

NASA Astrophysics Data System (ADS)

Mathies, G.; Blok, H.; Disselhorst, J. A. J. M.; Gast, P.; van der Meer, H.; Miedema, D. M.; Almeida, R. M.; Moura, J. J. G.; Hagen, W. R.; Groenen, E. J. J.

2011-05-01

The 275 GHz electron-paramagnetic-resonance spectrometer we reported on in 2004 has been equipped with a new probe head, which contains a cavity especially designed for operation in continuous-wave mode. The sensitivity and signal stability that is achieved with this new probe head is illustrated with 275 GHz continuous-wave spectra of a 1 mM frozen solution of the complex Fe(III)-ethylenediamine tetra-acetic acid and of 10 mM frozen solutions of the protein rubredoxin, which contains Fe 3+ in its active site, from three different organisms. The high quality of the spectra of the rubredoxins allows the determination of the zero-field-splitting parameters with an accuracy of 0.5 GHz. The success of our approach results partially from the enhanced absolute sensitivity, which can be reached using a single-mode cavity. At least as important is the signal stability that we were able to achieve with the new probe head.

The GEM Theory of the Unification of Gravitation and Electro-Magnetism

NASA Astrophysics Data System (ADS)

Brandenburg, J. E.

2012-01-01

The GEM (Gravity Electro-Magnetism), theory is presented as an alloy of Sakharov and Kaluza-Klein approaches to field unification. GEM uses the concept of gravity fields as Poynting fields to postulate that the non-metric portion of the EM stress tensor becomes the metric tensor in strong fields leading to "self-censorship". Covariant formulation of the GEM theory is accomplished through definition of the spacetime metric tensor as a portion of the EM stress tensor normalized by its own trace: gab = 4(FcaFcb )/(FabFab), it is found that this results in a massless ground state vacuum and a Newtonian gravitation potential f=1/2 E2/B2 =GM/r , where E, B and F are part of the vacuum Zero Point Fluctuation (ZPF) and M and r are the mass and distance from the center of a gravitating body and G is the Newton gravitation constant. It is found that a Lorentz flat-space metric is recovered in the limit of a vacuum full spectrum ZPF. The vacuum ZPF energy and vacuum quantities G, h, c, gives birth to particles quantities mp, me, e,-e in a process triggered by the appearance of the Kaluza-Klein fifth dimension, where also the EM and gravity forces split from each other in a process correlated to the splitting apart of protons and electrons. The separate appearance of the proton and electron occurs as the splitting of a light-like spacetime interval of zero-length into a finite space-like portion containing three subdimensions identified with the quarks and a time-like portion identified with the electron. The separation of mass with charge for the electron and proton pair comes about from a U(1) symmetry with a rotation in imaginary angle. A logarithmic variation of charge with mass for the proton-electron pair results and leads to the formula ln(ro/rp) = s, where s = (mp/me)1/2 , where mp and me are the electron and proton masses respectively and where ro =e2/moc2 , and where mo = (mpme)1/2 and where rp is the Planck length . This leads to the formula G=e2/mo2aexp(-2s)=6.6684x10-11 dynes-cm2/g2 , without free parameters, which is within 1 part per thousand of the measured value. We also have from the mass model, where q'/e = a-1/2 is the normalized Planck charge, and where MP is the Planck mass, a formula for the proton mass : mp=MP sq'/e = 1.71 x10-24g and thus is accurate to 2.5% , also without free parameters. GEM theory is now validated through the the Standard Model of physics. Derivation of the value of the Gravitation constant based on the observed variation of a with energy: results in the formula G @ hc/Mhc2 exp ( -1/(1.61a)), where a is the fine structure constant, h, is Plancks constant, c, is the speed of light, and Mhc is the mass of the hcc Charmonium meson and is shown to be identical to that derived from GEM postulates. GEM is thus consistent with quantum renormalization with an ultraviolet cutoff at the Planck length. More accurate values of G me and mp are found by perturbation theory.

Exact Mapping from Many-Spin Hamiltonians to Giant-Spin Hamiltonians.

PubMed

Ghassemi Tabrizi, Shadan; Arbuznikov, Alexei V; Kaupp, Martin

2018-03-26

Thermodynamic and spectroscopic data of exchange-coupled molecular spin clusters (e.g. single-molecule magnets) are routinely interpreted in terms of two different models: the many-spin Hamiltonian (MSH) explicitly considers couplings between individual spin centers, while the giant-spin Hamiltonian (GSH) treats the system as a single collective spin. When isotropic exchange coupling is weak, the physical compatibility between both spin Hamiltonian models becomes a serious concern, due to mixing of spin multiplets by local zero-field splitting (ZFS) interactions ('S-mixing'). Until now, this effect, which makes the mapping MSH→GSH ('spin projection') non-trivial, had only been treated perturbationally (up to third order), with obvious limitations. Here, based on exact diagonalization of the MSH, canonical effective Hamiltonian theory is applied to construct a GSH that exactly matches the energies of the relevant (2S+1) states comprising an effective spin multiplet. For comparison, a recently developed strategy for the unique derivation of effective ('pseudospin') Hamiltonians, now routinely employed in ab initio calculations of mononuclear systems, is adapted to the problem of spin projection. Expansion of the zero-field Hamiltonian and the magnetic moment in terms of irreducible tensor operators (or Stevens operators) yields terms of all ranks k (up to k=2S) in the effective spin. Calculations employing published MSH parameters illustrate exact spin projection for the well-investigated [Ni(hmp)(dmb)Cl] 4 ('Ni 4 ') single-molecule magnet, which displays weak isotropic exchange (dmb=3,3-dimethyl-1-butanol, hmp - is the anion of 2-hydroxymethylpyridine). The performance of the resulting GSH in finite field is assessed in terms of EPR resonances and diabolical points. The large tunnel splitting in the M=± 4 ground doublet of the S=4 multiplet, responsible for fast tunneling in Ni 4 , is attributed to a Stevens operator with eightfold rotational symmetry, marking the first quantification of a k=8 term in a spin cluster. The unique and exact mapping MSH→GSH should be of general importance for weakly-coupled systems; it represents a mandatory ultimate step for comparing theoretical predictions (e.g. from quantum-chemical calculations) to ZFS, hyperfine or g-tensors from spectral fittings. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gd(III)-Gd(III) EPR distance measurements--the range of accessible distances and the impact of zero field splitting.

PubMed

Dalaloyan, Arina; Qi, Mian; Ruthstein, Sharon; Vega, Shimon; Godt, Adelheid; Feintuch, Akiva; Goldfarb, Daniella

2015-07-28

Gd(III) complexes have emerged as spin labels for distance determination in biomolecules through double-electron-electron resonance (DEER) measurements at high fields. For data analysis, the standard approach developed for a pair of weakly coupled spins with S = 1/2 was applied, ignoring the actual properties of Gd(III) ions, i.e. S = 7/2 and ZFS (zero field splitting) ≠ 0. The present study reports on a careful investigation on the consequences of this approach, together with the range of distances accessible by DEER with Gd(III) complexes as spin labels. The experiments were performed on a series of specifically designed and synthesized Gd-rulers (Gd-PyMTA-spacer-Gd-PyMTA) covering Gd-Gd distances of 2-8 nm. These were dissolved in D2O-glycerol-d8 (0.03-0.10 mM solutions) which is the solvent used for the corresponding experiments on biomolecules. Q- and W-band DEER measurements, followed by data analysis using the standard data analysis approach, used for S = 1/2 pairs gave the distance-distribution curves, of which the absolute maxima agreed very well with the expected distances. However, in the case of the short distances of 2.1 and 2.9 nm, the distance distributions revealed additional peaks. These are a consequence of neglecting the pseudo-secular term in the dipolar Hamiltonian during the data analysis, as is outlined in a theoretical treatment. At distances of 3.4 nm and above, disregarding the pseudo-secular term leads to a broadening of a maximum of 0.4 nm of the distance-distribution curves at half height. Overall, the distances of up to 8.3 nm were determined, and the long evolution time of 16 μs at 10 K indicates that a distance of up to 9.4 nm can be accessed. A large distribution of the ZFS parameter, D, as is found for most Gd(III) complexes in a frozen solution, is crucial for the application of Gd(III) complexes as spin labels for distance determination via Gd(III)-Gd(III) DEER, especially for short distances. The larger ZFS of Gd-PyMTA, in comparison to that of Gd-DOTA, makes Gd-PyMTA a better label for short distances.

Electronic structure and nature of the ground state of the mixed-valence binuclear tetra(mu-1,8-naphthyridine-N,N')-bis(halogenonickel) tetraphenylborate complexes: experimental and DFT characterization.

PubMed

Bencini, Alessandro; Berti, Elisabetta; Caneschi, Andrea; Gatteschi, Dante; Giannasi, Elisa; Invernizzi, Ivana

2002-08-16

The ground state electronic structure of the mixed-valence systems [Ni(2)(napy)(4)X(2)](BPh(4)) (napy=1,8-naphthyridine; X=Cl, Br, I) was studied with combined experimental (X-ray diffraction, temperature dependence of the magnetic susceptibility, and high-field EPR spectroscopy) and theoretical (DFT) methods. The zero-field splitting (zfs) ground S=3/2 spin state is axial with /D/ approximately 3 cm(-1). The iodide derivative was found to be isostructural with the previously reported bromide complex, but not isomorphous. The compound crystallizes in the monoclinic system, space group P2(1)/n, with a=17.240(5), b=26.200(5), c=11.340(5) A, beta=101.320(5) degrees. DFT calculations were performed on the S=3/2 state to characterize the ground state potential energy surface as a function of the nuclear displacements. The molecules can thus be classified as Class III mixed-valence compounds with a computed delocalization parameter, B=3716, 3583, and 3261 cm(-1) for the Cl, Br, and I derivatives, respectively.

Phonon-drag magnetothermopower in Rashba spin-split two-dimensional electron systems.

PubMed

Biswas, Tutul; Ghosh, Tarun Kanti

2013-10-16

We study the phonon-drag contribution to the thermoelectric power in a quasi-two-dimensional electron system confined in GaAs/AlGaAs heterostructure in the presence of both Rashba spin-orbit interaction and perpendicular magnetic field at very low temperature. It is observed that the peaks in the phonon-drag thermopower split into two when the Rashba spin-orbit coupling constant is strong. This splitting is a direct consequence of the Rashba spin-orbit interaction. We show the dependence of phonon-drag thermopower on both magnetic field and temperature numerically. A power-law dependence of phonon-drag magnetothermopower on the temperature in the Bloch-Gruneisen regime is found. We also extract the exponent of the temperature dependence of phonon-drag thermopower for different parameters like electron density, magnetic field, and the spin-orbit coupling constant.

Photon merging and splitting in electromagnetic field inhomogeneities

NASA Astrophysics Data System (ADS)

Gies, Holger; Karbstein, Felix; Seegert, Nico

2016-04-01

We investigate photon merging and splitting processes in inhomogeneous, slowly varying electromagnetic fields. Our study is based on the three-photon polarization tensor following from the Heisenberg-Euler effective action. We put special emphasis on deviations from the well-known constant field results, also revisiting the selection rules for these processes. In the context of high-intensity laser facilities, we analytically determine compact expressions for the number of merged/split photons as obtained in the focal spots of intense laser beams. For the parameter range of typical petawatt class laser systems as pump and probe, we provide estimates for the numbers of signal photons attainable in an actual experiment. The combination of frequency upshifting, polarization dependence and scattering off the inhomogeneities renders photon merging an ideal signature for the experimental exploration of nonlinear quantum vacuum properties.

Resonant x-ray scattering from a skyrmion lattice

NASA Astrophysics Data System (ADS)

Roy, S.; Langner, M. C.; Mishra, S. K.; Lee, J. C. T.; Shi, X. W.; Hossain, M. A.; Chuang, Y.-D.; Kevan, S. D.; Schoenlein, R. W.; Seki, S.; Tokura, Y.

2014-03-01

Topologically protected novel phases in condensed matter systems are a current research topic of tremendous interest due to both the unique physics and their potential in device applications. Skyrmions are a topological phase that in magnetic systems manifest as a hexagonal lattice of spin-swirls. We report the first observation of the skyrmion lattice using resonant soft x-ray diffraction in Cu2OSeO3, a cubic insulator that exhibits degenerate helical magnetic structures along <100> axes in zero magnetic field. Within a narrow window of temperature and applied magnetic field we observed the six fold symmetric satellite peaks due to the skyrmion lattice around the (001) lattice Bragg peak. As a function of incident photon energy a rotational splitting of the skyrmion satellite peaks was observed that we ascribe to the two Cu sublattices of Cu2OSeO3, with different magnetically active orbitals. The splitting implies a long wavelength modulation of the skyrmion lattice. Work supported by U.S. DOE.

Fracture behavior of hybrid composite laminates

NASA Technical Reports Server (NTRS)

Kennedy, J. M.

1983-01-01

The tensile fracture behavior of 15 center-notched hybrid laminates was studied. Three basic laminate groups were tested: (1) a baseline group with graphite/epoxy plies, (2) a group with the same stacking sequence but where the zero-deg plies were one or two plies of S-glass or Kevlar, and (3) a group with graphite plies but where the zero-deg plies were sandwiched between layers of perforated Mylar. Specimens were loaded linearly with time; load, far field strain, and crack opening displacement (COD) were monitored. The loading was stopped periodically and the notched region was radiographed to reveal the extent and type of damage (failure progression). Results of the tests showed that the hybrid laminates had higher fracture toughnesses than comparable all-graphite laminates. The higher fracture toughness was due primarily to the larger damage region at the ends of the slit; delamination and splitting lowered the stress concentration in the primary load-carrying plies. A linear elastic fracture analysis, which ignored delamination and splitting, underestimated the fracture toughness. For almost all of the laminates, the tests showed that the fracture toughness increased with crack length. The size of the damage region at the ends of the slit and COD measurements also increased with crack length.

More about solar g modes

NASA Astrophysics Data System (ADS)

Fossat, E.; Schmider, F. X.

2018-04-01

Context. The detection of asymptotic solar g-mode parameters was the main goal of the GOLF instrument onboard the SOHO space observatory. This detection has recently been reported and has identified a rapid mean rotation of the solar core, with a one-week period, nearly four times faster than all the rest of the solar body, from the surface to the bottom of the radiative zone. Aim. We present here the detection of more g modes of higher degree, and a more precise estimation of all their parameters, which will have to be exploited as additional constraints in modeling the solar core. Methods: Having identified the period equidistance and the splitting of a large number of asymptotic g modes of degrees 1 and 2, we test a model of frequencies of these modes by a cross-correlation with the power spectrum from which they have been detected. It shows a high correlation peak at lag zero, showing that the model is hidden but present in the real spectrum. The model parameters can then be adjusted to optimize the position (at exactly zero lag) and the height of this correlation peak. The same method is then extended to the search for modes of degrees 3 and 4, which were not detected in the previous analysis. Results: g-mode parameters are optimally measured in similar-frequency bandwidths, ranging from 7 to 8 μHz at one end and all close to 30 μHz at the other end, for the degrees 1 to 4. They include the four asymptotic period equidistances, the slight departure from equidistance of the detected periods for l = 1 and l = 2, the measured amplitudes, functions of the degree and the tesseral order, and the splittings that will possibly constrain the estimated sharpness of the transition between the one-week mean rotation of the core and the almost four-week rotation of the radiative envelope. The g-mode periods themselves are crucial inputs in the solar core structure helioseismic investigation.

An improved ultra-wideband bandpass filter design using split ring resonator with coupled microstrip line

NASA Astrophysics Data System (ADS)

Umeshkumar, Dubey Suhmita; Kumar, Manish

2018-04-01

This paper incorporates an improved design of Ultra Wideband Bandpass filter by using split ring resonators (SRR) along with the coupled microstrip lines. The use of split ring resonators and shunt step impedance open circuit stub enhances the stability due to transmission zeroes at the ends. The designing of filter and simulation of parameters is carried out using Ansoft's HFSS 13.0 software on RT/Duroid 6002 as a substrate with dielectric constant of 2.94. The design utilizes a frequency band from 22GHz to 29GHz. This band is reserved for Automotive Radar system and sensors as per FCC specifications. The proposed design demonstrates insertion loss less than 0.6dB and return loss better than 12dB at mid frequency i.e. 24.4GHz. The reflection coefficient shows high stability of about 12.47dB at mid frequency. The fractional bandwidth of the proposed filter is about 28.7% and size of filter design is small due to thickness of 0.127mm.

Split and sealing of dislocated pipes at the front of a growing crystal

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Sheinerman, A. G.

2004-07-01

A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

Spin-Induced Polarizations and Nonreciprocal Directional Dichroism of the Room-Temperature Multiferroic BiFeO 3

DOE PAGES

Fishman, Randy Scott; Lee, Jun Hee; Bordacs, Sandor; ...

2015-09-14

A microscopic model for the room-temperature multiferroic BiFeO 3 that includes two Dzyaloshinskii-Moriya interactions and single-ion anisotropy along the ferroelectric polarization predicts both the zero-field spectroscopic modes as well as their splitting and evolution in a magnetic field. Due to simultaneously broken time-reversal and spatial-inversion symmetries, the absorption of light changes as the magnetic field or the direction of light propagation is reversed. We discuss three physical mechanisms that may contribute to this absorption asymmetry known as directional dichroism: the spin current, magnetostriction, and single-ion anisotropy. We conclude that the directional dichroism in BiFeO 3 is dominated by the spin-currentmore » polarization and is insensitive to the magnetostriction and easy-axis anisotropy. With three independent spin-current parameters, our model accurately describes the directional dichroism observed for magnetic field along [1, -1, 0]. Since some modes are almost transparent to light traveling in one direction but opaque for light traveling in the opposite direction, BiFeO 3 can be used as a room-temperature optical diode at certain frequencies in the GHz to THz range. This work demonstrates that an analysis of the directional dichroism spectra based on an effective spin model supplemented by first-principles calculations can produce a quantitative microscopic theory of the magnetoelectric couplings in multiferroic materials.« less

Chemical (knight) shift distortions of quadrupole-split deuteron powder spectra in solids

NASA Astrophysics Data System (ADS)

Torgeson, D. R.; Schoenberger, R. J.; Barnes, R. G.

In strong magnetic fields (e.g., 8 Tesla) anisotropy of the shift tensor (chemical or Knight shift) can alter the spacings of the features of quadrupole-split deuteron spectra of polycrystalline samples. Analysis of powder spectra yields both correct quadrupole coupling and symmetry parameters and all the components of the shift tensor. Synthetic and experimental examples are given to illustrate such behavior.

The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

PubMed

Viel, Alexandra; Coutinho-Neto, Maurício D; Manthe, Uwe

2007-01-14

Quantum dynamics calculations of the ground state tunneling splitting and of the zero point energy of malonaldehyde on the full dimensional potential energy surface proposed by Yagi et al. [J. Chem. Phys. 1154, 10647 (2001)] are reported. The exact diffusion Monte Carlo and the projection operator imaginary time spectral evolution methods are used to compute accurate benchmark results for this 21-dimensional ab initio potential energy surface. A tunneling splitting of 25.7+/-0.3 cm-1 is obtained, and the vibrational ground state energy is found to be 15 122+/-4 cm-1. Isotopic substitution of the tunneling hydrogen modifies the tunneling splitting down to 3.21+/-0.09 cm-1 and the vibrational ground state energy to 14 385+/-2 cm-1. The computed tunneling splittings are slightly higher than the experimental values as expected from the potential energy surface which slightly underestimates the barrier height, and they are slightly lower than the results from the instanton theory obtained using the same potential energy surface.

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

Three side-by-side lab houses were built, instrumented and monitored in an effort to determine through field testing and analysis the relative contributions of select technologies toward reducing energy use in new manufactured homes.The lab houses in Russellville, Alabama compared the performance of three homes built to varying levels of thermal integrity and HVAC equipment: a baseline HUD-code home equipped with an electric furnace and a split system air conditioner; an ENERGY STAR manufactured home with an enhanced thermal envelope and traditional split system heat pump; and a house designed to qualify for Zero Energy Ready Home designation with a ductlessmore » mini-split heat pump with transfer fan distribution system in place of the traditional duct system for distribution. Experiments were conducted in the lab houses to evaluate impact on energy and comfort of interior door position, window blind position and transfer fan operation. The report describes results of tracer gas and co-heating tests and presents calculation of the heat pump coefficient of performance for both the traditional heat pump and the ductless mini-split. A series of calibrated energy models was developed based on measured data and run in three locations in the Southeast to compare annual energy usage of the three homes.« less

Experimental detection of a Majorana mode in the core of a magnetic vortex inside a topological insulator-superconductor Bi(2)Te(3)/NbSe(2) heterostructure.

PubMed

Xu, Jin-Peng; Wang, Mei-Xiao; Liu, Zhi Long; Ge, Jian-Feng; Yang, Xiaojun; Liu, Canhua; Xu, Zhu An; Guan, Dandan; Gao, Chun Lei; Qian, Dong; Liu, Ying; Wang, Qiang-Hua; Zhang, Fu-Chun; Xue, Qi-Kun; Jia, Jin-Feng

2015-01-09

Majorana fermions have been intensively studied in recent years for their importance to both fundamental science and potential applications in topological quantum computing. They are predicted to exist in a vortex core of superconducting topological insulators. However, it is extremely difficult to distinguish them experimentally from other quasiparticle states for the tiny energy difference between Majorana fermions and these states, which is beyond the energy resolution of most available techniques. Here, we circumvent the problem by systematically investigating the spatial profile of the Majorana mode and the bound quasiparticle states within a vortex in Bi(2)Te(3) films grown on a superconductor NbSe(2). While the zero bias peak in local conductance splits right off the vortex center in conventional superconductors, it splits off at a finite distance ∼20  nm away from the vortex center in Bi(2)Te(3). This unusual splitting behavior has never been observed before and could be possibly due to the Majorana fermion zero mode. While the Majorana mode is destroyed by the interaction between vortices, the zero bias peak splits as a conventional superconductor again. This work provides self-consistent evidences of Majorana fermions and also suggests a possible route to manipulating them.

Unique spin-polarized transmission effects in a QD ring structure

NASA Astrophysics Data System (ADS)

Hedin, Eric; Joe, Yong

2010-10-01

Spintronics is an emerging field in which the spin of the electron is used for switching purposes and to communicate information. In order to obtain spin-polarized electron transmission, the Zeeman effect is employed to produce spin-split energy states in quantum dots which are embedded in the arms of a mesoscopic Aharonov-Bohm (AB) ring heterostructure. The Zeeman splitting of the QD energy levels can be induced by a parallel magnetic field, or by a perpendicular field which also produces AB-effects. The combination of these effects on the transmission resonances of the structure is studied analytically and several parameter regimes are identified which produce a high degree of spin-polarized output. Contour and line plots of the weighted spin polarization as a function of electron energy and magnetic field are presented to visualize the degree of spin-polarization. Taking advantage of these unique parameter regimes shows the potential promise of such devices for producing spin-polarized currents.

Theory of chaos regularization of tunneling in chaotic quantum dots.

PubMed

Lee, Ming-Jer; Antonsen, Thomas M; Ott, Edward; Pecora, Louis M

2012-11-01

Recent numerical experiments of Pecora et al. [Phys. Rev. E 83, 065201 (2011)] have investigated tunneling between two-dimensional symmetric double wells separated by a tunneling barrier. The wells were bounded by hard walls and by the potential barrier which was created by a step increase from the zero potential within a well to a uniform barrier potential within the barrier region, which is a situation potentially realizable in the context of quantum dots. Numerical results for the splitting of energy levels between symmetric and antisymmetric eigenstates were calculated. It was found that the splittings vary erratically from state to state, and the statistics of these variations were studied for different well shapes with the fluctuation levels being much less in chaotic wells than in comparable nonchaotic wells. Here we develop a quantitative theory for the statistics of the energy level splittings for chaotic wells. Our theory is based on the random plane wave hypothesis of Berry. While the fluctuation statistics are very different for chaotic and nonchaotic well dynamics, we show that the mean splittings of differently shaped wells, including integrable and chaotic wells, are the same if their well areas and barrier parameters are the same. We also consider the case of tunneling from a single well into a region with outgoing quantum waves.

Numerical solution of periodic vortical flows about a thin airfoil

NASA Technical Reports Server (NTRS)

Scott, James R.; Atassi, Hafiz M.

1989-01-01

A numerical method is developed for computing periodic, three-dimensional, vortical flows around isolated airfoils. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Solutions for thin airfoils at zero degrees incidence to the mean flow are presented in this paper. Using an elliptic coordinate transformation, the computational domain is transformed into a rectangle. The Sommerfeld radiation condition is applied to the unsteady pressure on the grid line corresponding to the far field boundary. The results are compared with a Possio solver, and it is shown that for maximum accuracy the grid should depend on both the Mach number and reduced frequency. Finally, in order to assess the range of validity of the classical thin airfoil approximation, results for airfoils with zero thickness are compared with results for airfoils with small thickness.

Suppression of the overlap between Majorana fermions by orbital magnetic effects in semiconducting-superconducting nanowires

NASA Astrophysics Data System (ADS)

Dmytruk, Olesia; Klinovaja, Jelena

2018-04-01

We study both analytically and numerically the role of orbital effects caused by a magnetic field applied along the axis of a semiconducting Rashba nanowire in the topological regime hosting Majorana fermions. We demonstrate that the orbital effects can be effectively taken into account in a one-dimensional model by shifting the chemical potential and thus modifying the topological criterion. We focus on the energy splitting between two Majorana fermions in a finite nanowire and find a striking interplay between orbital and Zeeman effects on this splitting. In the limit of strong spin-orbit interaction, we find regimes where the amplitude of the oscillating splitting stays constant or even decays with increasing the magnetic field, in stark contrast to the commonly studied case where orbital effects of the magnetic field are neglected. The period of these oscillations is found to be almost constant in many parameter regimes.

Resonant spin Hall effect in two dimensional electron gas

NASA Astrophysics Data System (ADS)

Shen, Shun-Qing

2005-03-01

Remarkable phenomena have been observed in 2DEG over last two decades, most notably, the discovery of integer and fractional quantum Hall effect. The study of spin transport provides a good opportunity to explore spin physics in two-dimensional electron gas (2DEG) with spin-orbit coupling and other interaction. It is already known that the spin-orbit coupling leads to a zero-field spin splitting, and competes with the Zeeman spin splitting if the system is subjected to a magnetic field perpendicular to the plane of 2DEG. The result can be detected as beating of the Shubnikov-de Haas oscillation. Very recently the speaker and his collaborators studied transport properties of a two-dimensional electron system with Rashba spin-orbit coupling in a perpendicular magnetic field. The spin-orbit coupling competes with the Zeeman splitting to generate additional degeneracies between different Landau levels at certain magnetic fields. It is predicted theoretically that this degeneracy, if occurring at the Fermi level, gives rise to a resonant spin Hall conductance, whose height is divergent as 1/T and whose weight is divergent as -lnT at low temperatures. The charge Hall conductance changes by 2e^2/h instead of e^2/h as the magnetic field changes through the resonant point. The speaker will address the resonance condition, symmetries in the spin-orbit coupling, the singularity of magnetic susceptibility, nonlinear electric field effect, the edge effect and the disorder effect due to impurities. This work was supported by the Research Grants Council of Hong Kong under Grant No.: HKU 7088/01P. *S. Q. Shen, M. Ma, X. C. Xie, and F. C. Zhang, Phys. Rev. Lett. 92, 256603 (2004) *S. Q. Shen, Y. J. Bao, M. Ma, X. C. Xie, and F. C. Zhang, cond-mat/0410169

A compressible solution of the Navier-Stokes equations for turbulent flow about an airfoil

NASA Technical Reports Server (NTRS)

Shamroth, S. J.; Gibeling, H. J.

1979-01-01

A compressible time dependent solution of the Navier-Stokes equations including a transition turbulence model is obtained for the isolated airfoil flow field problem. The equations are solved by a consistently split linearized block implicit scheme. A nonorthogonal body-fitted coordinate system is used which has maximum resolution near the airfoil surface and in the region of the airfoil leading edge. The transition turbulence model is based upon the turbulence kinetic energy equation and predicts regions of laminar, transitional, and turbulent flow. Mean flow field and turbulence field results are presented for an NACA 0012 airfoil at zero and nonzero incidence angles of Reynolds number up to one million and low subsonic Mach numbers.

Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

NASA Astrophysics Data System (ADS)

Gnutek, P.; Y Yang, Z.; Rudowicz, C.

2009-11-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g_{\\parallel } and g_{\\perp } , are theoretically investigated for the FeK3+-OI2- center in KTaO3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the FeK3+-OI2- defect center in KTaO3. This modeling reveals that the off-center displacement of the Fe3+ ions, Δ1(Fe3+), combined with an inward relaxation of the nearest oxygen ligands, Δ2(O2-), and the existence of the interstitial oxygen OI2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the FeK3+-OI2- center in KTaO3. Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ1(Fe3+) and Δ2(O2-) as well as the possible location of OI2- ligands around Fe3+ ions in KTaO3. The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g_{\\parallel } and g_{\\perp } and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing in the literature indicates considerable advantages of our method and presumably higher reliability of our predictions.

Theoretical study of diaquamalonatozinc(II) single crystal for applications in non-linear optical devices

NASA Astrophysics Data System (ADS)

Chakraborty, Mitesh; Rai, Vineet Kumar

2017-12-01

The aim of the present paper is to employ theoretical methods to investigate the zero field splitting (ZFS) parameter and to investigate the position of the dopant in the host. These theoretical calculations have been compared with the empirical results. The superposition model (SPM) with the microscopic spin-Hamiltonian (MSH) theory and the coefficient of fractional parentage have been employed to investigate the dopant manganese(II) ion substitution in the diaquamalonatozinc(II) (DAMZ) single crystal. The magnetic parameters, viz. g-tensor and D-tensor, has been determined by using the ORCA program package developed by F Neese et al. The unrestricted Kohn-Sham orbitals-based Pederson-Khanna (PK) as the unperturbed wave function is observed to be the most suitable for the computational calculation of spin-orbit tensor (D^{SO}) of the axial ZFS parameter D. The effects of spin-spin dipolar couplings are taken into account. The unrestricted natural orbital (UNO) is used for the calculation of spin-spin dipolar contributions to the ZFS tensor. A comparative study of the quantum mechanical treatment of Pederson-Khanna (PK) with coupled perturbation (CP) is reported in the present study. The unrestricted Kohn-Sham-based natural orbital with Pederson-Khanna-type of perturbation approach validates the experimental results in the evaluation of ZFS parameters. The theoretical results are appropriate with the experimental ones and indicate the interstitial occupancy of Mn^{2+} ion in the host matrix.

Kondo peak splitting and Kondo dip in single molecular magnet junctions

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

2016-01-01

Many factors containing bias, spin-orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin-orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments.

Zero field splitting fluctuations induced phase relaxation of Gd3+ in frozen solutions at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Raitsimring, A.; Dalaloyan, A.; Collauto, A.; Feintuch, A.; Meade, T.; Goldfarb, D.

2014-11-01

Distance measurements using double electron-electron resonance (DEER) and Gd3+ chelates for spin labels (GdSL) have been shown to be an attractive alternative to nitroxide spin labels at W-band (95 GHz). The maximal distance that can be accessed by DEER measurements and the sensitivity of such measurements strongly depends on the phase relaxation of Gd3+ chelates in frozen, glassy solutions. In this work, we explore the phase relaxation of Gd3+-DOTA as a representative of GdSL in temperature and concentration ranges typically used for W-band DEER measurements. We observed that in addition to the usual mechanisms of phase relaxation known for nitroxide based spin labels, GdSL are subjected to an additional phase relaxation mechanism that features an increase in the relaxation rate from the center to the periphery of the EPR spectrum. Since the EPR spectrum of GdSL is the sum of subspectra of the individual EPR transitions, we attribute this field dependence to transition dependent phase relaxation. Using simulations of the EPR spectra and its decomposition into the individual transition subspectra, we isolated the phase relaxation of each transition and found that its rate increases with |ms|. We suggest that this mechanism is due to transient zero field splitting (tZFS), where its magnitude and correlation time are scaled down and distributed as compared with similar situations in liquids. This tZFS induced phase relaxation mechanism becomes dominant (or at least significant) when all other well-known phase relaxation mechanisms, such as spectral diffusion caused by nuclear spin diffusion, instantaneous and electron spin spectral diffusion, are significantly suppressed by matrix deuteration and low concentration, and when the temperature is sufficiently low to disable spin lattice interaction as a source of phase relaxation.

Autostereoscopic three-dimensional display by combining a single spatial light modulator and a zero-order nulled grating

NASA Astrophysics Data System (ADS)

Su, Yanfeng; Cai, Zhijian; Liu, Quan; Lu, Yifan; Guo, Peiliang; Shi, Lingyan; Wu, Jianhong

2018-04-01

In this paper, an autostereoscopic three-dimensional (3D) display system based on synthetic hologram reconstruction is proposed and implemented. The system uses a single phase-only spatial light modulator to load the synthetic hologram of the left and right stereo images, and the parallax angle between two reconstructed stereo images is enlarged by a grating to meet the split angle requirement of normal stereoscopic vision. To realize the crosstalk-free autostereoscopic 3D display with high light utilization efficiency, the groove parameters of the grating are specifically designed by the rigorous coupled-wave theory for suppressing the zero-order diffraction, and then the zero-order nulled grating is fabricated by the holographic lithography and the ion beam etching. Furthermore, the diffraction efficiency of the fabricated grating is measured under the illumination of a laser beam with a wavelength of 532 nm. Finally, the experimental verification system for the proposed autostereoscopic 3D display is presented. The experimental results prove that the proposed system is able to generate stereoscopic 3D images with good performances.

Full-wave effects on shear wave splitting

NASA Astrophysics Data System (ADS)

Lin, Yu-Pin; Zhao, Li; Hung, Shu-Huei

2014-02-01

Seismic anisotropy in the mantle plays an important role in our understanding of the Earth's internal dynamics, and shear wave splitting has always been a key observable in the investigation of seismic anisotropy. To date the interpretation of shear wave splitting in terms of anisotropy has been largely based on ray-theoretical modeling of a single vertically incident plane SKS or SKKS wave. In this study, we use sensitivity kernels of shear wave splitting to anisotropic parameters calculated by the normal-mode theory to demonstrate that the interference of SKS with other phases of similar arrival times, near-field effect, and multiple reflections in the crust lead to significant variations of SKS splitting with epicentral distance. The full-wave kernels not only widen the possibilities in the source-receiver geometry in making shear wave splitting measurements but also provide the capability for tomographic inversion to resolve vertical and lateral variations in the anisotropic structures.

Biodegradation modelling of a dissolved gasoline plume applying independent laboratory and field parameters

NASA Astrophysics Data System (ADS)

Schirmer, Mario; Molson, John W.; Frind, Emil O.; Barker, James F.

2000-12-01

Biodegradation of organic contaminants in groundwater is a microscale process which is often observed on scales of 100s of metres or larger. Unfortunately, there are no known equivalent parameters for characterizing the biodegradation process at the macroscale as there are, for example, in the case of hydrodynamic dispersion. Zero- and first-order degradation rates estimated at the laboratory scale by model fitting generally overpredict the rate of biodegradation when applied to the field scale because limited electron acceptor availability and microbial growth are not considered. On the other hand, field-estimated zero- and first-order rates are often not suitable for predicting plume development because they may oversimplify or neglect several key field scale processes, phenomena and characteristics. This study uses the numerical model BIO3D to link the laboratory and field scales by applying laboratory-derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at the Canadian Forces Base (CFB) Borden. All input parameters were derived from independent laboratory and field measurements or taken from the literature a priori to the simulations. The simulated results match the experimental results reasonably well without model calibration. A sensitivity analysis on the most uncertain input parameters showed only a minor influence on the simulation results. Furthermore, it is shown that the flow field, the amount of electron acceptor (oxygen) available, and the Monod kinetic parameters have a significant influence on the simulated results. It is concluded that laboratory-derived Monod kinetic parameters can adequately describe field scale degradation, provided all controlling factors are incorporated in the field scale model. These factors include advective-dispersive transport of multiple contaminants and electron acceptors and large-scale spatial heterogeneities.

Tools for magnetostructural correlations for the 3d8(3A2 state) ions at orthorhombic sites: Comparative study with applications to Ni2+ ions in Y2BaNiO5 and Nd2BaNiO5

NASA Astrophysics Data System (ADS)

Gnutek, P.; Açıkgöz, M.; Rudowicz, C.

2015-01-01

Three approaches are employed to study magnetostructural correlations for the 3d8(3A2 state) ions at orthorhombic sites in crystals: (i) the higher-order perturbation theory (PT) of the microscopic spin Hamiltonian (MSH) parameters, (ii) the crystal field (CF) analysis (CFA) within all 3d8 states combined with the superposition model (SPM) calculations of CF parameters, and (iii) the second-order PT of MSH parameters. A comparative study is carried out to assess the merit of each modeling approach. These approaches enable predictions of the orthorhombic zero-field splitting parameters (ZFSPs) for the 3d8 ions at orthorhombic sites. Hence, correlation of the magnetic and spectroscopic properties with the structural ones may be considered. The approach (i) and (iii) take into account only the spin-orbit coupling (SOC) and a limited set of low lying states. Analysis of the expressions used in the approach (i) reveals discrepancies concerning: the sign of the SOC parameter, the cubic crystal field parameter Dq, the energy levels sequence, and numerical errors, which diminish its reliability. The distinction between the first- and second-kind orthorhombic symmetry is also elucidated. The approaches (i)-(iii) are applied for Ni2+ (S=1) ions in the Haldane gap systems Y2BaNiO5 and Nd2BaNiO5. The contributions to the ZFSPs due to the spin-spin and spin-other-orbit interactions considered using the approach (ii) are found nearly insignificant as compared with the dominant SOC ones. The results indicate that the approach (i)-corrected and (iii) may be employed only as an approximation. The approach (ii) together with the SPM/CFP modeling appear to be preferable and more reliable tools to study magnetostructural correlations and thus spectroscopic and magnetic properties of the 3d8(3A2 state) ions at orthorhombic sites in crystals.

Level crossings and zero-field splitting in the {Cr8}-cubane spin cluster studied using inelastic neutron scattering and magnetization

NASA Astrophysics Data System (ADS)

Vaknin, D.; Garlea, V. O.; Demmel, F.; Mamontov, E.; Nojiri, H.; Martin, C.; Chiorescu, I.; Qiu, Y.; Kögerler, P.; Fielden, J.; Engelhardt, L.; Rainey, C.; Luban, M.

2010-11-01

Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It is noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.

Level crossings and zero-field splitting in the {Cr8}-cubane spin-cluster studied using inelastic neutron scattering and magnetization

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

Vaknin, D.; Garlea, Vasile O; Demmel, F.

Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It ismore » noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.« less

Wave-packet formation at the zero-dispersion point in the Gardner-Ostrovsky equation.

PubMed

Whitfield, A J; Johnson, E R

2015-05-01

The long-time effect of weak rotation on an internal solitary wave is the decay into inertia-gravity waves and the eventual emergence of a coherent, steadily propagating, nonlinear wave packet. There is currently no entirely satisfactory explanation as to why these wave packets form. Here the initial value problem is considered within the context of the Gardner-Ostrovsky, or rotation-modified extended Korteweg-de Vries, equation. The linear Gardner-Ostrovsky equation has maximum group velocity at a critical wave number, often called the zero-dispersion point. It is found here that a nonlinear splitting of the wave-number spectrum at the zero-dispersion point, where energy is shifted into the modulationally unstable regime of the Gardner-Ostrovsky equation, is responsible for the wave-packet formation. Numerical comparisons of the decay of a solitary wave in the Gardner-Ostrovsky equation and a derived nonlinear Schrödinger equation at the zero-dispersion point are used to confirm the spectral splitting.

Interaction between Rashba and Zeeman effects in a quantum well channel.

PubMed

Choi, Won Young; Kwon, Jae Hyun; Chang, Joonyeon; Han, Suk Hee; Koo, Hyun Cheol

2014-05-01

The applied field induced Zeeman effect interferes with Rashba effect in a quantum well system. The angle dependence of Shubnikov-de Haas oscillation shows that the in-plane term of the applied field changes the intrinsic Rashba induced spin splitting. The total effective spin-orbit interaction parameter is determined by the vector sum of the Rashba field and the applied field.

Studies of Nonconventional Superfluids: Ultrasound Propagation in HELIUM-3-BORON and the Microwave Surface Impedance of the Heavy-Fermion Superconductor Uranium PLATINUM(3)

NASA Astrophysics Data System (ADS)

Zhao, Zuyu

1990-06-01

Two nonconventional superfluids, superfluid ^3He-B and the heavy fermion superconductor UPt_3 have been studied using different techniques: (1) A study of ^3He -B was performed in an acoustic sound cell with a path length of 381mum using the single-ended, c.w., acoustic impedance technique. The fundamental frequency of the x-cut quartz transducer employed in the experiments was 12.80 MHz. The following studies were performed: (a) A systematic measurement was made on the pair-breaking edge in zero magnetic field with ultrasonic frequencies of 64.3 MHz, 90.1 MHz, 141.6 MHz and 167.4 MHz, in the pressure range from 3 bar to 28 bar. The results of our measurements indirectly support the temperature scale of Greywall and the weak coupling plus (WCP) model of Rainer and Serene for the gap function. The pair-breaking edge was also measured in magnetic fields up to 1.36 kG perpendicular to the sound propagation direction and the predicted shift of the effective pair-breaking threshold (from 2 Delta(T) in zero field) by Omega = {gamma Hover 1+{1 over3}F_sp{o}{a}(2+Y) }(the renormalized Larmor frequency) has been observed. (b) The (imaginary) squashing mode was excited with sound frequencies of 141.6 MHz and 115.8 MHz. A doublet splitting (of about 0.3 MHz) of this mode was observed. This doublet splitting was found to be strongly pressure and frequency dependent, but independent of the magnetic field (at the low fields studied). Possible causes of this splitting include superfluid flow induced texture effects and finite wavevector (dispersion) effects. (c) Structure was observed with a sound frequency of 64.3 MHz in the vicinity of 2Delta(T) in a magnetic field of about 580 Gauss which is thought to be J_{z} = -1 component of the J = 1^- collective mode. (2) A surface impedance study of heavy Fermion superconductor UPt_3 was performed with an X-band microwave spectrometer (f ~eq 11.42 GHz) integrated with an Oxford 400 TLE dilution refrigerator so as to have top-loading capability. (3) Using a top loading magnetometer, measurements of the H_{cl} on UPt_3 were performed and kinks were observed along the c axis and in the basal plane. The results support a model of unconventional superconductivity by Hess, Tokuyasu and Sauls.

Theory of a quantum spin liquid in the hydrogen-intercalated honeycomb iridate H3LiIr2O6

NASA Astrophysics Data System (ADS)

Slagle, Kevin; Choi, Wonjune; Chern, Li Ern; Kim, Yong Baek

2018-03-01

We propose a theoretical model for a gapless spin liquid phase that may have been observed in a recent experiment on H3LiIr2O6 . Despite the insulating and nonmagnetic nature of the material, the specific heat coefficient C /T ˜1 /√{T } in zero magnetic field and C /T ˜T /B3 /2 with finite magnetic field B have been observed. In addition, the NMR relaxation rate shows 1 /(T1T ) ˜(C/T ) 2 . Motivated by the fact that the interlayer/in-plane lattice parameters are reduced/elongated by the hydrogen intercalation of the parent compound Li2IrO3 , we consider four layers of the Kitaev honeycomb lattice model with additional interlayer exchange interactions. It is shown that the resulting spin liquid excitations reside mostly in the top and bottom layers of such a layered structure and possess a quartic dispersion. In an applied magnetic field, each quartic mode is split into four Majorana cones with the velocity v ˜B3 /4 . We suggest that the spin liquid phase in these "defect" layers, placed between different stacking patterns of the honeycomb layers, can explain the major phenomenology of the experiment, which can be taken as evidence that the Kitaev interaction plays the primary role in the formation of a quantum spin liquid in this material.

Time-resolved EPR study on the photoexcited triplet state of the electron-donor-acceptor complex formed in the system of fac-tris[2-(4-octyl-phenyl) pyridine] iridium(III) and tetracene.

PubMed

Zhebin, Fu; Shuhei, Yoshioka; Hisao, Murai

2014-01-09

The physical properties of the phosphorescent organic light-emitting diode material fac-tris(phenylpyridine) iridium(III), Ir(ppy)3, have been reported with experimental and theoretical studies. Here, the photochemical properties of the excited triplet state of partially modified fac-tris[2-(4-octyl-phenyl) pyridine] iridium(III), Ir(C8ppy)3, were investigated using time-resolved electron paramagnetic resonance (tr-EPR) and optical methods by adding tetracene in the toluene solution. The tr-EPR observation at 77 K revealed the following two species: the excited triplet state of tetracene and another triplet species with zero field splitting parameters of |D| = 0.088 cm(-1) and |E| = 0.018 cm(-1) with characteristic spin polarization. The latter species was assigned to the electron-donor-acceptor (EDA) complex formed between Ir(C8ppy)3 and tetracene. The mechanism of formation and the properties of this EDA complex, including the information on the principal axes of (3)Ir(C8ppy)3*, are discussed.

Discrepancies Between Theory and Experiment for Field-Dependence and f-wave Interactions in Superfluid ^3He-B

NASA Astrophysics Data System (ADS)

Collett, C. A.; Pollanen, J.; Li, Jia; Gannon, W. J.; Halperin, W. P.

2012-02-01

We have performed transverse acoustics experiments in superfluid ^3He-B, exploring the magnetic field splitting of the imaginary squashing mode (ISQ), a collective mode of the order parameter labelled by its total angular momentum J=2. We have compared theoretical calculationsootnotetextJ.A. Sauls and J.W. Serene, Phys. Rev. Lett. 49, 1183 (1982). of the Zeeman splitting, g2^-, and its dependence on the strength of f-wave pairing interactions, x3-1, with our recent experimental data, showing unexpected discrepancies. We suggest that the origin of these discrepancies can be traced to limits on the applicability of the theoretical calculations at high magnetic field and at frequencies some distance from the order parameter collective mode. We discuss the analysis done by Davis et al. in light of those limitations.ootnotetextJ.P. Davis et al., Phys. Rev. Lett. 100, 015301 (2008). This work was supported by the National Science Foundation DMR-1103625.

Electronegativity, charge transfer, crystal field strength, and the point charge model revisited.

PubMed

Tanner, Peter A; Ning, Lixin

2013-02-21

Although the optical spectra of LnCl(6)(3-) systems are complex, only two crystal field parameters, B(40) and B(60), are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R(-5) and R(-7) dependence, respectively, upon the ionic radius Ln(3+)(VI), but not upon the Ln-Cl distance. More generally, the crystal field strengths of LnX(6) systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln-X bond.

Optics of tunneling from adiabatic nanotapers

NASA Astrophysics Data System (ADS)

Sumetsky, M.

2006-12-01

A theory of light propagation along adiabatic photonic nanowire tapers (nanotapers) having diameters significantly less than the radiation wavelength λ˜1 μm is developed. The fundamental mode of a nanotaper primarily consists of an evanescent field, which propagates in the ambient medium and is very sensitive to the nanotaper shape. General analytical expressions for the evanescent field and the radiation loss of adiabatic nanotapers are obtained and applied to the investigation of the optics of tunneling from a nanotaper of a characteristic shape. The radiation loss of this nanotaper occurs locally near a focal circumference of the evanescent field, representing an intersection of a complex caustic surface with real space, where the fundamental mode splits into the radiating and guiding components. The interference of these components gives rise to a sequence of circumferences with zero electromagnetic field.

Dynamics of nonlinear Schrödinger breathers in a potential trap

NASA Astrophysics Data System (ADS)

Malomed, B. A.; Rosanov, N. N.; Fedorov, S. V.

2018-05-01

We consider the evolution of the 2-soliton (breather) of the nonlinear Schrödinger equation on a semi-infinite line with the zero boundary condition and a linear potential, which corresponds to the gravity field in the presence of a hard floor. This setting can be implemented in atomic Bose-Einstein condensates, and in a nonlinear planar waveguide in optics. In the absence of the gravity, repulsion of the breather from the floor leads to its splitting into constituent fundamental solitons, if the initial distance from the floor is smaller than a critical value; otherwise, the moving breather persists. In the presence of gravity, the breather always splits into a pair of "co-hopping" fundamental solitons, which may be frequency locked in the form of a quasi-breather, or unlocked, forming an incoherent pseudo-breather. Some essential results are obtained in an analytical form, in addition to the systematic numerical investigation.

Majorana splitting from critical currents in Josephson junctions

NASA Astrophysics Data System (ADS)

Cayao, Jorge; San-Jose, Pablo; Black-Schaffer, Annica M.; Aguado, Ramón; Prada, Elsa

2017-11-01

A semiconducting nanowire with strong Rashba spin-orbit coupling and coupled to a superconductor can be tuned by an external Zeeman field into a topological phase with Majorana zero modes. Here we theoretically investigate how this exotic topological superconductor phase manifests in Josephson junctions based on such proximitized nanowires. In particular, we focus on critical currents in the short junction limit (LN≪ξ , where LN is the junction length and ξ is the superconducting coherence length) and show that they contain important information about nontrivial topology and Majoranas. This includes signatures of the gap inversion at the topological transition and a unique oscillatory pattern that originates from Majorana interference. Interestingly, this pattern can be modified by tuning the transmission across the junction, thus providing complementary evidence of Majoranas and their energy splittings beyond standard tunnel spectroscopy experiments, while offering further tunability by virtue of the Josephson effect.

Magnetic edge states in Aharonov-Bohm graphene quantum rings

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

Farghadan, R., E-mail: rfarghadan@kashanu.ac.ir; Heidari Semiromi, E.; Saffarzadeh, A.

2013-12-07

The effect of electron-electron interaction on the electronic structure of Aharonov-Bohm (AB) graphene quantum rings (GQRs) is explored theoretically using the single-band tight-binding Hamiltonian and the mean-field Hubbard model. The electronic states and magnetic properties of hexagonal, triangular, and circular GQRs with different sizes and zigzag edge terminations are studied. The results show that, although the AB oscillations in the all types of nanoring are affected by the interaction, the spin splitting in the AB oscillations strongly depends on the geometry and the size of graphene nanorings. We found that the total spin of hexagonal and circular rings is zeromore » and therefore, no spin splitting can be observed in the AB oscillations. However, the non-zero magnetization of the triangular rings breaks the degeneracy between spin-up and spin-down electrons, which produces spin-polarized AB oscillations.« less

Multimaterial topology optimization of contact problems using phase field regularization

NASA Astrophysics Data System (ADS)

Myśliński, Andrzej

2018-01-01

The numerical method to solve multimaterial topology optimization problems for elastic bodies in unilateral contact with Tresca friction is developed in the paper. The displacement of the elastic body in contact is governed by elliptic equation with inequality boundary conditions. The body is assumed to consists from more than two distinct isotropic elastic materials. The materials distribution function is chosen as the design variable. Since high contact stress appears during the contact phenomenon the aim of the structural optimization problem is to find such topology of the domain occupied by the body that the normal contact stress along the boundary of the body is minimized. The original cost functional is regularized using the multiphase volume constrained Ginzburg-Landau energy functional rather than the perimeter functional. The first order necessary optimality condition is recalled and used to formulate the generalized gradient flow equations of Allen-Cahn type. The optimal topology is obtained as the steady state of the phase transition governed by the generalized Allen-Cahn equation. As the interface width parameter tends to zero the transition of the phase field model to the level set model is studied. The optimization problem is solved numerically using the operator splitting approach combined with the projection gradient method. Numerical examples confirming the applicability of the proposed method are provided and discussed.

Structure, magnetic properties, polarized neutron diffraction, and theoretical study of a copper(II) cubane.

PubMed

Aronica, Christophe; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique; Neugebauer, Petr; Barra, Anne-Laure; Gillon, Béatrice; Goujon, Antoine; Cousson, Alain; Tercero, Javier; Ruiz, Eliseo

2008-01-01

The paper reports the synthesis, X-ray and neutron diffraction crystal structures, magnetic properties, high field-high frequency EPR (HF-EPR), spin density and theoretical description of the tetranuclear CuII complex [Cu4L4] with cubane-like structure (LH2=1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one). The simulation of the magnetic behavior gives a predominant ferromagnetic interaction J1 (+30.5 cm(-1)) and a weak antiferromagnetic interaction J2 (-5.5 cm(-1)), which correspond to short and long Cu-Cu distances, respectively, as evidence from the crystal structure [see formulate in text]. It is in agreement with DFT calculations and with the saturation magnetization value of an S=2 ground spin state. HF-EPR measurements at low temperatures (5 to 30 K) provide evidence for a negative axial zero-field splitting parameter D (-0.25+/-0.01 cm(-1)) plus a small rhombic term E (0.025+/-0.001 cm(-1), E/D = 0.1). The experimental spin distribution from polarized neutron diffraction is mainly located in the basal plane of the CuII ion with a distortion of yz-type for one CuII ion. Delocalization on the ligand (L) is observed but to a smaller extent than expected from DFT calculations.

The effect of crustal anisotropy on SKS splitting analysis—synthetic models and real-data observations

NASA Astrophysics Data System (ADS)

Latifi, Koorosh; Kaviani, Ayoub; Rümpker, Georg; Mahmoodabadi, Meysam; Ghassemi, Mohammad R.; Sadidkhouy, Ahmad

2018-05-01

The contribution of crustal anisotropy to the observation of SKS splitting parameters is often assumed to be negligible. Based on synthetic models, we show that the impact of crustal anisotropy on the SKS splitting parameters can be significant even in the case of moderate to weak anisotropy within the crust. In addition, real-data examples reveal that significant azimuthal variations in SKS splitting parameters can be caused by crustal anisotropy. Ps-splitting analysis of receiver functions (RF) can be used to infer the anisotropic parameters of the crust. These crustal splitting parameters may then be used to constrain the inversion of SKS apparent splitting parameters to infer the anisotropy of the mantle. The observation of SKS splitting for different azimuths is indispensable to verify the presence or absence of multiple layers of anisotropy beneath a seismic station. By combining SKS and RF observations in different azimuths at a station, we are able to uniquely decipher the anisotropic parameters of crust and upper mantle.

An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin-orbit contributions are affected.

PubMed

Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

2014-05-21

The CASSCF and the hybrid CASSCF-MRMP2 methods are applied to the calculations of spin-spin and spin-orbit contributions to the zero-field splitting tensors (D tensors) of the halogen-substituted spin-septet 2,4,6-trinitrenopyridines, focusing on the heavy atom effects on the spin-orbit term of the D tensors (D(SO) tensors). The calculations reproduced experimentally determined |D| values within an error of 15%. Halogen substitutions at the 3,5-positions are less influential in the spin-spin dipolar (D(SS)) term of 2,4,6-trinitrenopyridines, although the D(SO) terms are strongly affected by the introduction of heavier halogens. The absolute sign of the D(SO) value (D = D(ZZ) - (D(XX) + D(YY))/2) of 3,5-dibromo derivative 3 is predicted to be negative, which contradicts the Pederson-Khanna (PK) DFT result previously reported. The large negative contributions to the D(SO) value of 3 arise from the excited spin-septet states ascribed mainly to the excitations of in-plane lone pair of bromine atoms → SOMO of π nature. The importance of the excited states involving electron transitions from the lone pair orbital of the halogen atom is also confirmed in the D(SO) tensors of halogen-substituted para-phenylnitrenes. A new scheme based on the orbital region partitioning is proposed for the analysis of the D(SO) tensors as calculated by means of the PK-DFT approach.

Thermodynamics around the first-order ferromagnetic phase transition of Fe2P single crystals

NASA Astrophysics Data System (ADS)

Hudl, M.; Campanini, D.; Caron, L.; Höglin, V.; Sahlberg, M.; Nordblad, P.; Rydh, A.

2014-10-01

The specific heat and thermodynamics of Fe2P single crystals around the first-order paramagnetic to ferromagnetic (FM) phase transition at TC≃217 K are empirically investigated. The magnitude and direction of the magnetic field relative to the crystal axes govern the derived H -T phase diagram. Strikingly different phase contours are obtained for fields applied parallel and perpendicular to the c axis of the crystal. In parallel fields, the FM state is stabilized, while in perpendicular fields the phase transition is split into two sections, with an intermediate FM phase where there is no spontaneous magnetization along the c axis. The zero-field transition displays a textbook example of a first-order transition with different phase stability limits on heating and cooling. The results have special significance since Fe2P is the parent material to a family of compounds with outstanding magnetocaloric properties.

In Situ Magnetic Field Measurement using the Hanle Effect

NASA Astrophysics Data System (ADS)

Jackson, Jarom; Durfee, Dallin

2016-05-01

We have developed a simple method of in situ magnetic field mapping near zero points in magnetic fields. It is ideal for measuring trapping parameters such the field gradient and curvature, and should be applicable in most experiments with a magneto-optical trap (MOT) or similar setup. This method works by probing atomic transitions in a vacuum, and is based on the Hanle effect, which alters the polarization of spontaneous emission in the presence of a magnetic field. Unlike most techniques based on the Hanle effect, however, we look only at intensity. Instead of measuring polarization we use the change in directional radiation patterns caused by a magnetic field. Using one of the cooling beams for our MOT, along with a linear polarizer, a narrow slit, and an inexpensive webcam, we measure the three dimensional position of a magnetic field zero point within our vacuum to within +/-1 mm and the gradient through the zero point to an accuracy of 4%. This work was supported by NSF Grant Number PHY-1205736.

Near-infrared strong coupling between metamaterials and epsilon-near-zero modes in degenerately doped semiconductor nanolayers

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

Campione, Salvatore; Wendt, Joel R.; Keeler, Gordon Arthur

Epsilon-near-zero (ENZ) modes provide a new path for tailoring light–matter interactions at the nanoscale. In this paper, we analyze a strongly coupled system at near-infrared frequencies comprising plasmonic metamaterial resonators and ENZ modes supported by degenerately doped semiconductor nanolayers. In strongly coupled systems that combine optical cavities and intersubband transitions, the polariton splitting (i.e., the ratio of Rabi frequency to bare cavity frequency) scales with the square root of the wavelength, thus favoring the long-wavelength regime. In contrast, we observe that the polariton splitting in ENZ/metamaterial resonator systems increases linearly with the thickness of the nanolayer supporting the ENZ modes.more » In this work, we employ an indium-tin-oxide nanolayer and observe a large experimental polariton splitting of approximately 30% in the near-infrared. As a result, this approach opens up many promising applications, including nonlinear optical components and tunable optical filters based on controlling the polariton splitting by adjusting the frequency of the ENZ mode.« less

Near-infrared strong coupling between metamaterials and epsilon-near-zero modes in degenerately doped semiconductor nanolayers

DOE PAGES

Campione, Salvatore; Wendt, Joel R.; Keeler, Gordon Arthur; ...

2016-01-14

Epsilon-near-zero (ENZ) modes provide a new path for tailoring light–matter interactions at the nanoscale. In this paper, we analyze a strongly coupled system at near-infrared frequencies comprising plasmonic metamaterial resonators and ENZ modes supported by degenerately doped semiconductor nanolayers. In strongly coupled systems that combine optical cavities and intersubband transitions, the polariton splitting (i.e., the ratio of Rabi frequency to bare cavity frequency) scales with the square root of the wavelength, thus favoring the long-wavelength regime. In contrast, we observe that the polariton splitting in ENZ/metamaterial resonator systems increases linearly with the thickness of the nanolayer supporting the ENZ modes.more » In this work, we employ an indium-tin-oxide nanolayer and observe a large experimental polariton splitting of approximately 30% in the near-infrared. As a result, this approach opens up many promising applications, including nonlinear optical components and tunable optical filters based on controlling the polariton splitting by adjusting the frequency of the ENZ mode.« 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.

Gauge invariant gluon spin operator for spinless nonlinear wave solutions

NASA Astrophysics Data System (ADS)

Lee, Bum-Hoon; Kim, Youngman; Pak, D. G.; Tsukioka, Takuya; Zhang, P. M.

2017-04-01

We consider nonlinear wave type solutions with intrinsic mass scale parameter and zero spin in a pure SU(2) quantum chromodynamics (QCD). A new stationary solution which can be treated as a system of static Wu-Yang monopole dressed in off-diagonal gluon field is proposed. A remarkable feature of such a solution is that it possesses a finite energy density everywhere. All considered nonlinear wave type solutions have common features: presence of the mass scale parameter, nonvanishing projection of the color fields along the propagation direction and zero spin. The last property requires revision of the gauge invariant definition of the spin density operator which is supposed to produce spin one states for the massless vector gluon field. We construct a gauge invariant definition of the classical gluon spin density operator which is unique and Lorentz frame independent.

Dyon proliferation in interacting quantum spin Hall edges

NASA Astrophysics Data System (ADS)

Lee, Shu-Ping; Maciejko, Joseph

We show that a quantum spin Hall system with intra-edge multiparticle backscattering and inter-edge exchange interactions exhibits a modular invariant zero-temperature phase diagram. We establish this through mapping to a classical 2D Coulomb gas with electrically and magnetically charged particles; strong coupling phases in the quantum edge problem correspond to the proliferation of various dyons in the Coulomb gas. Distinct dyon proliferated phases can be accessed by tuning the edge Luttinger parameters, for example using a split gate geometry. This research was supported by NSERC Grant #RGPIN-2014-4608, the Canada Research Chair Program (CRC) and the Canadian Institute for Advanced Research (CIFAR).

The upper critical field of filamentary Nb3Sn conductors

NASA Astrophysics Data System (ADS)

Godeke, A.; Jewell, M. C.; Fischer, C. M.; Squitieri, A. A.; Lee, P. J.; Larbalestier, D. C.

2005-05-01

We have examined the upper critical field of a large and representative set of present multifilamentary Nb3Sn wires and one bulk sample over a temperature range from 1.4 K up to the zero-field critical temperature. Since all present wires use a solid-state diffusion reaction to form the A15 layers, inhomogeneities with respect to Sn content are inevitable, in contrast to some previously studied homogeneous samples. Our study emphasizes the effects that these inevitable inhomogeneities have on the field-temperature phase boundary. The property inhomogeneities are extracted from field-dependent resistive transitions which we find broaden with increasing inhomogeneity. The upper 90%-99% of the transitions clearly separates alloyed and binary wires but a pure, Cu-free binary bulk sample also exhibits a zero-temperature critical field that is comparable to the ternary wires. The highest μ0Hc2 detected in the ternary wires are remarkably constant: The highest zero-temperature upper critical fields and zero-field critical temperatures fall within 29.5±0.3 and 17.8±0.3K, respectively, independent of the wire layout. The complete field-temperature phase boundary can be described very well with the relatively simple Maki-DeGennes model using a two-parameter fit, independent of composition, strain state, sample layout, or applied critical state criterion.

The Progressive Fragmentation of 332P/Ikeya-Murakami

NASA Astrophysics Data System (ADS)

Kleyna, J. T.; Ye, Q.-Z.; Hui, M.-T.; Meech, K. J.; Wainscoat, R.; Micheli, M.; Keane, J. V.; Weaver, H. A.; Weryk, R.

2016-08-01

We describe 2016 January-April observations of the fragments of 332P/Ikeya-Murakami, a comet earlier observed in a 2010 October outburst. We present photometry of the fragments and perform simulations to infer the time of breakup. We argue that the eastern-most rapidly brightening fragment (F4) best corresponds to the original nucleus, rather than the initial bright fragment F1. We compute radial and tangential nongravitational parameters, A 1 = (1.5 ± 0.4) × 10-8 au day-2 and (7.2 ± 1.9) × 10-9 au day-2 both are consistent with zero at the 4σ level. Monte Carlo simulations indicate that the fragments were emitted on the outbound journey well after the 2010 outburst, with bright fragment F1 splitting in early 2014 and the fainter fragments within months of the 2016 January recovery. Western fragment F7 is the oldest, dating from 2011. We suggest that the delayed onset of the splitting is consistent with a self-propagating crystallization of water ice.

Discovery of iron group impurity ion spin states in single crystal Y{sub 2}SiO{sub 5} with strong coupling to whispering gallery photons

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

Goryachev, Maxim; Farr, Warrick G.; Carmo Carvalho, Natalia do

2015-06-08

Interaction of Whispering Gallery Modes (WGMs) with dilute spin ensembles in solids is an interesting paradigm of Hybrid Quantum Systems potentially beneficial for Quantum Signal Processing applications. Unexpected ion transitions are measured in single crystal Y{sub 2}SiO{sub 5} using WGM spectroscopy with large Zero Field Splittings at 14.7 GHz, 18.4 GHz, and 25.4 GHz, which also feature considerable anisotropy of the g-tensors as well as two inequivalent lattice sites, indicating spins from Iron Group Ion (IGI) impurities. The comparison of undoped and Rare-Earth doped crystals reveal that the IGIs are introduced during co-doping of Eu{sup 3+} or Er{sup 3+} with concentration at muchmore » lower levels of order 100 ppb. The strong coupling regime between an ensemble of IGI spins and WGM photons have been demonstrated at 18.4 GHz and near zero field. This approach together with useful optical properties of these ions opens avenues for “spins-in-solids” Quantum Electrodynamics.« less

Scaling laws of Rydberg excitons

NASA Astrophysics Data System (ADS)

Heckötter, J.; Freitag, M.; Fröhlich, D.; Aßmann, M.; Bayer, M.; Semina, M. A.; Glazov, M. M.

2017-09-01

Rydberg atoms have attracted considerable interest due to their huge interaction among each other and with external fields. They demonstrate characteristic scaling laws in dependence on the principal quantum number n for features such as the magnetic field for level crossing or the electric field of dissociation. Recently, the observation of excitons in highly excited states has allowed studying Rydberg physics in cuprous oxide crystals. Fundamentally different insights may be expected for Rydberg excitons, as the crystal environment and associated symmetry reduction compared to vacuum give not only optical access to many more states within an exciton multiplet but also extend the Hamiltonian for describing the exciton beyond the hydrogen model. Here we study experimentally and theoretically the scaling of several parameters of Rydberg excitons with n , for some of which we indeed find laws different from those of atoms. For others we find identical scaling laws with n , even though their origin may be distinctly different from the atomic case. At zero field the energy splitting of a particular multiplet n scales as n-3 due to crystal-specific terms in the Hamiltonian, e.g., from the valence band structure. From absorption spectra in magnetic field we find for the first crossing of levels with adjacent principal quantum numbers a Br∝n-4 dependence of the resonance field strength, Br, due to the dominant paramagnetic term unlike for atoms for which the diamagnetic contribution is decisive, resulting in a Br∝n-6 dependence. By contrast, the resonance electric field strength shows a scaling as Er∝n-5 as for Rydberg atoms. Also similar to atoms with the exception of hydrogen we observe anticrossings between states belonging to multiplets with different principal quantum numbers at these resonances. The energy splittings at the avoided crossings scale roughly as n-4, again due to crystal specific features in the exciton Hamiltonian. The data also allow us to assess the susceptibility of Rydberg excitons to the external fields: The crossover field strength in magnetic field from a hydrogenlike exciton to a magnetoexciton dominated by electron and hole Landau level quantization scales as n-3. In electric field, on the other hand, we observe the exciton polarizability to scale as n7. At higher fields, the exciton ionization can be studied with ionization voltages that demonstrate an n-4 scaling law. Particularly interesting is the field dependence of the width of the absorption lines which remains constant before dissociation for high enough n , while for small n ≲12 an exponential increase is found. These results are in excellent agreement with theoretical predictions.

[Methodological aspects related to the determination of the relative renal function using 99mTC MAG3].

PubMed

Ladrón De Guevara Hernández, D; Ham, H; Franken, P; Piepsz, A; Lobo Sotomayor, G

2002-01-01

The aim of the study was to evaluate three different methods for calculating the split renal function in patients with only one functioning kidney, keeping in mind that the split function should be zero on the side of the non-functioning kidney. We retrospectively selected 28 99mTc MAG3 renograms performed in children, 12 with unilateral nephrectomy, 4 with unilateral agenesis and 12 with a non-functioning kidney. A renal and perirenal region of interest (ROI) were delineated around the functioning kidney. The ROIs around the empty kidney were drawn symmetrically to the contralateral side. The split renal function was calculated using three different methods, the integral method, the slope method and the Patlak-Rutland algorithm. For the whole group of 28 kidneys as well as for the three categories of patients, the three methods provided a split function on the side of the non-functioning kidney close to the zero value, regardless of whether the empty kidney was the left or the right one. We recommend the use of the integral method for the whole range of split renal function with 99mTc MAG3. No significant improvement was obtained by means of the more sophisticated Patlak-Rutland method.

Spinors fields in co-dimension one braneworlds

NASA Astrophysics Data System (ADS)

Mendes, W. M.; Alencar, G.; Landim, R. R.

2018-02-01

In this work we analyze the zero mode localization and resonances of 1/2-spin fermions in co-dimension one Randall-Sundrum braneworld scenarios. We consider delta-like, domain walls and deformed domain walls membranes. Beyond the influence of the spacetime dimension D we also consider three types of couplings: (i) the standard Yukawa coupling with the scalar field and parameter η 1, (ii) a Yukawa-dilaton coupling with two parameters η 2 and λ and (iii) a dilaton derivative coupling with parameter h. Together with the deformation parameter s, we end up with five free parameter to be considered. For the zero mode we find that the localization is dependent of D, because the spinorial representation changes when the bulk dimensionality is odd or even and must be treated separately. For case (i) we find that in odd dimensions only one chirality can be localized and for even dimension a massless Dirac spinor is trapped over the brane. In the cases (ii) and (iii) we find that for some values of the parameters, both chiralities can be localized in odd dimensions and for even dimensions we obtain that the massless Dirac spinor is trapped over the brane. We also calculated numerically resonances for cases (ii) and (iii) by using the transfer matrix method. We find that, for deformed defects, the increasing of D induces a shift in the peaks of resonances. For a given λ with domain walls, we find that the resonances can show up by changing the spacetime dimensionality. For example, the same case in D = 5 do not induces resonances but when we consider D = 10 one peak of resonance is found. Therefore the introduction of more dimensions, diversely from the bosonic case, can change drastically the zero mode and resonances in fermion fields.

CD, MCD and VTVH MCD Studies of Biferrous and Mixed-Valent myo-Inositol Oxygenase: Insights into Substrate Activation of O2 Reactivity

PubMed Central

Snyder, Rae Ana; Bell, Caleb B.; Diao, Yinghui; Krebs, Carsten; Bollinger, J. Martin; Solomon, Edward I.

2013-01-01

Myo-inositol oxygenase (MIOX) catalyzes the 4e− oxidation of myo-inositol (MI) to D-glucuronate using a substrate activated Fe(II)Fe(III) site. The biferrous and Fe(II)Fe(III) forms of MIOX were studied with circular dichroism (CD), magnetic circular dichroism (MCD), and variable temperature variable field (VTVH) MCD spectroscopies. The MCD spectrum of biferrous MIOX shows two ligand field (LF) transitions near 10,000 cm−1, split by ~2,000 cm−1, characteristic of 6 coordinate (6C) Fe(II) sites, indicating that the modest reactivity of the biferrous form toward O2 can be attributed to the saturated coordination of both irons. Upon oxidation to the Fe(II)Fe(III) state, MIOX shows two LF transitions in the ~10,000 cm−1 region, again implying a coordinatively saturated Fe(II) site. Upon MI binding, these split in energy to 5,200 cm−1 and 11,200 cm−1, showing that MI binding causes the Fe(II) to become coordinately unsaturated. VTVH MCD magnetization curves of unbound and MI-bound Fe(II)Fe(III) forms show that upon substrate binding, the isotherms become more nested, requiring that the exchange coupling and ferrous zero field splitting (ZFS) both decrease in magnitude. These results imply that MI binds to the ferric site, weakening the Fe(III)-μ-OH bond and strengthening the Fe(II)-μ-OH bond. This perturbation results in the release of a coordinated water from the Fe(II) that enables its O2 activation. PMID:24066857

Experimental investigation of spin-orbit coupling in n-type PbTe quantum wells

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

Peres, M. L.; Monteiro, H. S.; Castro, S. de

2014-03-07

The spin-orbit coupling is studied experimentally in two PbTe quantum wells by means of weak antilocalization effect. Using the Hikami-Larkin-Nagaoka model through a computational global optimization procedure, we extracted the spin-orbit and inelastic scattering times and estimated the strength of the zero field spin-splitting energy Δ{sub so}. The values of Δ{sub so} are linearly dependent on the Fermi wave vector (k{sub F}) confirming theoretical predictions of the existence of large spin-orbit coupling in IV-VI quantum wells originated from pure Rashba effect.

Landau-level spectroscopy of massive Dirac fermions in single-crystalline ZrTe5 thin flakes

NASA Astrophysics Data System (ADS)

Jiang, Y.; Dun, Z. L.; Zhou, H. D.; Lu, Z.; Chen, K.-W.; Moon, S.; Besara, T.; Siegrist, T. M.; Baumbach, R. E.; Smirnov, D.; Jiang, Z.

2017-07-01

We report infrared magnetospectroscopy studies on thin crystals of an emerging Dirac material ZrTe5 near the intrinsic limit. The observed structure of the Landau-level transitions and zero-field infrared absorption indicate a two-dimensional Dirac-like electronic structure, similar to that in graphene but with a small relativistic mass corresponding to a 9.4-meV energy gap. Measurements with circularly polarized light reveal a significant electron-hole asymmetry, which leads to splitting of the Landau-level transitions at high magnetic fields. Our model, based on the Bernevig-Hughes-Zhang effective Hamiltonian, quantitatively explains all observed transitions, determining the values of the Fermi velocity, Dirac mass (or gap), electron-hole asymmetry, and electron and hole g factors.

Magnetic relaxation of 1D coordination polymers (X)₂[Mn(acacen)Fe(CN)₆], X = Ph₄P⁺, Et₄N⁺.

PubMed

Rams, Michał; Peresypkina, Eugenia V; Mironov, Vladimir S; Wernsdorfer, Wolfgang; Vostrikova, Kira E

2014-10-06

Substitution of the organic cation X in the 1D polymer, (X)2[Mn(acacen)Fe(CN)6], leads to an essential change in magnetic behavior. Due to the presence of more voluminous Ph4P(+) cations, the polyanion has a more geometrically distorted chain skeleton and, as a consequence, enhanced single chain magnet (SCM) characteristics compared to those for Et4N(+). The Arrhenius relaxation energy barriers, the exchange interaction constant and the zero-field splitting anisotropy of Mn(III) are determined from the analysis of magnetic measurements. The discussion is supported with ligand field calculations for [Fe(CN)6](3-) that unveils the significant anisotropy of Fe magnetic moments.

Characteristics of buoyancy force on stagnation point flow with magneto-nanoparticles and zero mass flux condition

NASA Astrophysics Data System (ADS)

Uddin, Iftikhar; Khan, Muhammad Altaf; Ullah, Saif; Islam, Saeed; Israr, Muhammad; Hussain, Fawad

2018-03-01

This attempt dedicated to the solution of buoyancy effect over a stretching sheet in existence of MHD stagnation point flow with convective boundary conditions. Thermophoresis and Brownian motion aspects are included. Incompressible fluid is electrically conducted in the presence of varying magnetic field. Boundary layer analysis is used to develop the mathematical formulation. Zero mass flux condition is considered at the boundary. Non-linear ordinary differential system of equations is constructed by means of proper transformations. Interval of convergence via numerical data and plots are developed. Characteristics of involved variables on the velocity, temperature and concentration distributions are sketched and discussed. Features of correlated parameters on Cf and Nu are examined by means of tables. It is found that buoyancy ratio and magnetic parameters increase and reduce the velocity field. Further opposite feature is noticed for higher values of thermophoresis and Brownian motion parameters on concentration distribution.

On the multiple zeros of a real analytic function with applications to the averaging theory of differential equations

NASA Astrophysics Data System (ADS)

García, Isaac A.; Llibre, Jaume; Maza, Susanna

2018-06-01

In this work we consider real analytic functions , where , Ω is a bounded open subset of , is an interval containing the origin, are parameters, and ε is a small parameter. We study the branching of the zero-set of at multiple points when the parameter ε varies. We apply the obtained results to improve the classical averaging theory for computing T-periodic solutions of λ-families of analytic T-periodic ordinary differential equations defined on , using the displacement functions defined by these equations. We call the coefficients in the Taylor expansion of in powers of ε the averaged functions. The main contribution consists in analyzing the role that have the multiple zeros of the first non-zero averaged function. The outcome is that these multiple zeros can be of two different classes depending on whether the zeros belong or not to the analytic set defined by the real variety associated to the ideal generated by the averaged functions in the Noetheriang ring of all the real analytic functions at . We bound the maximum number of branches of isolated zeros that can bifurcate from each multiple zero z 0. Sometimes these bounds depend on the cardinalities of minimal bases of the former ideal. Several examples illustrate our results and they are compared with the classical theory, branching theory and also under the light of singularity theory of smooth maps. The examples range from polynomial vector fields to Abel differential equations and perturbed linear centers.

Elastic gauge fields and Hall viscosity of Dirac magnons

NASA Astrophysics Data System (ADS)

Ferreiros, Yago; Vozmediano, María A. H.

2018-02-01

We analyze the coupling of elastic lattice deformations to the magnon degrees of freedom of magnon Dirac materials. For a honeycomb ferromagnet we find that, as happens in the case of graphene, elastic gauge fields appear coupled to the magnon pseudospinors. For deformations that induce constant pseudomagnetic fields, the spectrum around the Dirac nodes splits into pseudo-Landau levels. We show that when a Dzyaloshinskii-Moriya interaction is considered, a topological gap opens in the system and a Chern-Simons effective action for the elastic degrees of freedom is generated. Such a term encodes a phonon Hall viscosity response, entirely generated by quantum fluctuations of magnons living in the vicinity of the Dirac points. The magnon Hall viscosity vanishes at zero temperature, and grows as temperature is raised and the states around the Dirac points are increasingly populated.

A ligation-triggered DNAzyme cascade for amplified fluorescence detection of biological small molecules with zero-background signal.

PubMed

Lu, Li-Min; Zhang, Xiao-Bing; Kong, Rong-Mei; Yang, Bin; Tan, Weihong

2011-08-03

Many types of fluorescent sensing systems have been reported for biological small molecules. Particularly, several methods have been developed for the recognition of ATP or NAD(+), but they only show moderate sensitivity, and they cannot discriminate either ATP or NAD(+) from their respective analogues. We have addressed these limitations and report here a dual strategy which combines split DNAzyme-based background reduction with catalytic and molecular beacon (CAMB)-based amplified detection to develop a ligation-triggered DNAzyme cascade, resulting in ultrahigh sensitivity. First, the 8-17 DNAzyme is split into two separate oligonucleotide fragments as the building blocks for the DNA ligation reaction, thereby providing a zero-background signal to improve overall sensitivity. Next, a CAMB strategy is further employed for amplified signal detection achieved through cycling and regenerating the DNAzyme to realize the true enzymatic multiple turnover (one enzyme catalyzes the cleavage of several substrates) of catalytic beacons. This combination of zero-background signal and signal amplification significantly improves the sensitivity of the sensing systems, resulting in detection limits of 100 and 50 pM for ATP and NAD(+), respectively, much lower than those of previously reported biosensors. Moreover, by taking advantage of the highly specific biomolecule-dependence of the DNA ligation reaction, the developed DNAzyme cascades show significantly high selectivity toward the target cofactor (ATP or NAD(+)), and the target biological small molecule can be distinguished from its analogues. Therefore, as a new and universal platform for the design of DNA ligation reaction-based sensing systems, this novel ligation-triggered DNAzyme cascade method may find a broad spectrum of applications in both environmental and biomedical fields.

Perturbations and moduli space dynamics of tachyon kinks

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

Hindmarsh, Mark; Li Huiquan

2008-03-15

The dynamic process of unstable D-branes decaying into stable ones with one dimension lower can be described by a tachyon field with a Dirac-Born-Infeld effective action. In this paper we investigate the fluctuation modes of the tachyon field around a two-parameter family of static solutions representing an array of brane-antibrane pairs. Besides a pair of zero modes associated with the parameters of the solution, and instabilities associated with annihilation of the brane-antibrane pairs, we find states corresponding to excitations of the tachyon field around the brane and in the bulk. In the limit that the brane thickness tends to zero,more » the support of the eigenmodes is limited to the brane, consistent with the idea that propagating tachyon modes drop out of the spectrum as the tachyon field approaches its ground state. The zero modes, and other low-lying excited states, show a fourfold degeneracy in this limit, which can be identified with some of the massless superstring modes in the brane-antibrane system. Finally, we also discuss the slow motion of the solution corresponding to the decay process in the moduli space, finding a trajectory which oscillates periodically between the unstable D-brane and the brane-antibrane pairs of one dimension lower.« less

Evaluation of parameters for particles acceleration by the zero-point field of quantum electrodynamics

NASA Technical Reports Server (NTRS)

Rueda, A.

1985-01-01

That particles may be accelerated by vacuum effects in quantum field theory has been repeatedly proposed in the last few years. A natural upshot of this is a mechanism for cosmic rays (CR) primaries acceleration. A mechanism for acceleration by the zero-point field (ZPE) when the ZPE is taken in a realistic sense (in opposition to a virtual field) was considered. Originally the idea was developed within a semiclassical context. The classical Einstein-Hopf model (EHM) was used to show that free isolated electromagnrtically interacting particles performed a random walk in phase space and more importantly in momentum space when submitted to the perennial action of the so called classical electromagnrtic ZPE.

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

DOE PAGES

Cho, Herman

2016-02-28

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2,5/2,7/2, and 9/2. These results are essential to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Furthermore, applications of NQR methods to studies of electronic structure in heavy element systems are proposed.

The effects of the one-step replica symmetry breaking on the Sherrington-Kirkpatrick spin glass model in the presence of random field with a joint Gaussian probability density function for the exchange interactions and random fields

NASA Astrophysics Data System (ADS)

Hadjiagapiou, Ioannis A.; Velonakis, Ioannis N.

2018-07-01

The Sherrington-Kirkpatrick Ising spin glass model, in the presence of a random magnetic field, is investigated within the framework of the one-step replica symmetry breaking. The two random variables (exchange integral interaction Jij and random magnetic field hi) are drawn from a joint Gaussian probability density function characterized by a correlation coefficient ρ, assuming positive and negative values. The thermodynamic properties, the three different phase diagrams and system's parameters are computed with respect to the natural parameters of the joint Gaussian probability density function at non-zero and zero temperatures. The low temperature negative entropy controversy, a result of the replica symmetry approach, has been partly remedied in the current study, leading to a less negative result. In addition, the present system possesses two successive spin glass phase transitions with characteristic temperatures.

The viscosity and temperature dependence of 1H T1-NMRD of the Gd(H 2O) 83+ complex

NASA Astrophysics Data System (ADS)

Zhou, Xiangzhi; Westlund, Per-Olof

2005-11-01

Water proton T1-NMRD profiles of the Gd(H 2O) 83+ complex have been recorded at three temperatures and at four concentrations of glycerol. The analysis is performed using both the generalized Solomon-Bloembergen-Morgan (GSBM) theory [J. Magn. Reson. 167(2004), 147-160], and the stochastic Liouville approach (SLA). The GSBM approach uses a two processes dynamic model of the zero-field splitting (ZFS) correlation function whereas SLA uses a single process model. Both models reproduce the proton T1-NMRD profiles well. However, the model parameters extracted from the two analyses, yield different ESR X-band spectra which moreover do not reproduce the experimental ESR spectra. It is shown that the analyses of the proton T1-NMRD profiles recorded for a solution Gd(H 2O) 83+ ions are relatively insensitive to the slow modulation part of dynamic model of the ZFS interaction correlation function. The description of the electron spin system results in a very small static ZFS, while recent ESR lineshape analysis indicates that the contribution from the static ZFS is important. Analysis of proton T1-NMRD profiles of Gd(H 2O) 83+ complex do result in a description of the electron spin system but these microscopic parameters are uncertain unless they also are tested in a ESR-lineshape analysis.

Anisotropic Bianchi Type-I and Type-II Bulk Viscous String Cosmological Models Coupled with Zero Mass Scalar Field

NASA Astrophysics Data System (ADS)

Venkateswarlu, R.; Sreenivas, K.

2014-06-01

The LRS Bianchi type-I and type-II string cosmological models are studied when the source for the energy momentum tensor is a bulk viscous stiff fluid containing one dimensional strings together with zero-mass scalar field. We have obtained the solutions of the field equations assuming a functional relationship between metric coefficients when the metric is Bianchi type-I and constant deceleration parameter in case of Bianchi type-II metric. The physical and kinematical properties of the models are discussed in each case. The effects of Viscosity on the physical and kinematical properties are also studied.

Magnetic susceptibility and ground-state zero-field splitting in high-spin mononuclear manganese(III) of inverted N-methylated porphyrin complexes: Mn(2-NCH3NCTPP)Br.

PubMed

Hung, Sheng-Wei; Yang, Fuh-An; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu

2008-08-18

The crystal structures of diamagnetic dichloro(2-aza-2-methyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N'')-tin(IV) methanol solvate [Sn(2-NCH 3NCTPP)Cl 2.2(0.2MeOH); 6.2(0.2MeOH)] and paramagnetic bromo(2-aza-2-methyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N'')-manganese(III) [Mn(2-NCH 3NCTPP)Br; 5] were determined. The coordination sphere around Sn (4+) in 6.2(0.2MeOH) is described as six-coordinate octahedron ( OC-6) in which the apical site is occupied by two transoid Cl (-) ligands, whereas for the Mn (3+) ion in 5, it is a five-coordinate square pyramid ( SPY-5) in which the unidentate Br (-) ligand occupies the axial site. The g value of 9.19 (or 10.4) measured from the parallel polarization (or perpendicular polarization) of X-band EPR spectra at 4 K is consistent with a high spin mononuclear manganese(III) ( S = 2) in 5. The magnitude of axial ( D) and rhombic ( E) zero-field splitting (ZFS) for the mononuclear Mn(III) in 5 were determined approximately as -2.4 cm (-1) and -0.0013 cm (-1), respectively, by paramagnetic susceptibility measurements and conventional EPR spectroscopy. Owing to weak C(45)-H(45A)...Br(1) hydrogen bonds, the mononuclear Mn(III) neutral molecules of 5 are arranged in a one-dimensional network. A weak Mn(III)...Mn(III) ferromagnetic interaction ( J = 0.56 cm (-1)) operates via a [Mn(1)-C(2)-C(1)-N(4)-C(45)-H(45A)...Br(1)-Mn(1)] superexchange pathway in complex 5.

Effective-mass model and magneto-optical properties in hybrid perovskites

PubMed Central

Yu, Z. G.

2016-01-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole. PMID:27338834

Effective-mass model and magneto-optical properties in hybrid perovskites.

PubMed

Yu, Z G

2016-06-24

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

Effective-mass model and magneto-optical properties in hybrid perovskites

NASA Astrophysics Data System (ADS)

Yu, Z. G.

2016-06-01

Hybrid inorganic-organic perovskites have proven to be a revolutionary material for low-cost photovoltaic applications. They also exhibit many other interesting properties, including giant Rashba splitting, large-radius Wannier excitons, and novel magneto-optical effects. Understanding these properties as well as the detailed mechanism of photovoltaics requires a reliable and accessible electronic structure, on which models of transport, excitonic, and magneto-optical properties can be efficiently developed. Here we construct an effective-mass model for the hybrid perovskites based on the group theory, experiment, and first-principles calculations. Using this model, we relate the Rashba splitting with the inversion-asymmetry parameter in the tetragonal perovskites, evaluate anisotropic g-factors for both conduction and valence bands, and elucidate the magnetic-field effect on photoluminescence and its dependence on the intensity of photoexcitation. The diamagnetic effect of exciton is calculated for an arbitrarily strong magnetic field. The pronounced excitonic peak emerged at intermediate magnetic fields in cyclotron resonance is assigned to the 3D±2 states, whose splitting can be used to estimate the difference in the effective masses of electron and hole.

The Zeeman splitting of bulk 2H-MoTe2 single crystal in high magnetic field

NASA Astrophysics Data System (ADS)

Sun, Yan; Zhang, Junpei; Ma, Zongwei; Chen, Cheng; Han, Junbo; Chen, Fangchu; Luo, Xuan; Sun, Yuping; Sheng, Zhigao

2017-03-01

A high magnetic field magneto-optical spectrum is utilized to study the A exciton of bulk 2H-MoTe2 single crystal. A clear Zeeman splitting of the A exciton is observed under high magnetic fields up to 41.68 T, and the g-factor (-2.09 ± 0.08) is deduced. Moreover, a high magnetic field enables us to obtain the quadratic diamagnetic shifts of the A exciton (0.486 μeV T-2). Accordingly, the binding energy, reduced mass, and radius of the A exciton were obtained by using both two and three dimensional models. Compared with other transition metal dichalcogenides (TMDs), the A exciton of bulk 2H-MoTe2 has a relatively small binding energy and larger exciton radius, which provide fundamental parameters for comprehensive understanding of excitons in TMDs as well as their future applications.

A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit.

PubMed

Retegan, Marius; Collomb, Marie-Noëlle; Neese, Frank; Duboc, Carole

2013-01-07

The electronic and magnetic properties of polynuclear complexes, in particular the magnetic anisotropy (zero field splitting, ZFS), the leading term of the spin Hamiltonian (SH), are commonly analyzed in a global manner and no attempt is usually made to understand the various contributions to the anisotropy at the atomic scale. This is especially true in weakly magnetically coupled systems. The present study addresses this problem and investigates the local SH parameters using a methodology based on experimental measurements and theoretical calculations. This work focuses on the challenging mono μ-oxo bis μ-acetato dinuclear Mn(III) complex: [Mn(2)(III)(μ-O)(μ-OAc)(2)L(2)](PF(6))(2) (with L = trispyrrolidine-1,4,7-triazacyclononane) (1), which is particularly difficult for EPR spectroscopy because of its large magnetic anisotropy and the weak ferromagnetic interaction between the two Mn(III) ions. High field (up to 12 T) and high frequency (190-345 GHz) EPR experiments have been recorded for 1 between 5 and 50 K. These data have been analyzed by employing a complex Hamiltonian, which encompasses terms describing the local and inter-site interactions. Density functional theory and multireference correlated ab initio calculations have been used to estimate the ZFS of the Mn(III) ions (D(Mn) = +4.29 cm(-1), E(Mn)/D(Mn) = 0.19) and the Euler angles reflecting the relative orientation of the ZFS tensor for each Mn(III) (α = -52°, β = 28°, γ = 3°). This analysis allowed the accurate determination of the local parameters: D(Mn) = +4.50 cm(-1), E(Mn)/D(Mn) = 0.07, α = -35°, β = 23°, γ = 2°. The spin ladder approach has also been applied, but only the parameters of the ground spin state of 1 have been accurately determined (D(4) = +1.540 cm(-1), E(4)/D(4) = 0.107). This is not sufficient to allow for the determination of the local parameters. The validity and practical performance of both approaches have been discussed.

Direct measurement of the long-range p -d exchange coupling in a ferromagnet-semiconductor Co/CdMgTe/CdTe quantum well hybrid structure

NASA Astrophysics Data System (ADS)

Akimov, I. A.; Salewski, M.; Kalitukha, I. V.; Poltavtsev, S. V.; Debus, J.; Kudlacik, D.; Sapega, V. F.; Kopteva, N. E.; Kirstein, E.; Zhukov, E. A.; Yakovlev, D. R.; Karczewski, G.; Wiater, M.; Wojtowicz, T.; Korenev, V. L.; Kusrayev, Yu. G.; Bayer, M.

2017-11-01

The exchange interaction between magnetic ions and charge carriers in semiconductors is considered to be a prime tool for spin control. Here, we solve a long-standing problem by uniquely determining the magnitude of the long-range p -d exchange interaction in a ferromagnet-semiconductor (FM-SC) hybrid structure where a 10-nm-thick CdTe quantum well is separated from the FM Co layer by a CdMgTe barrier with a thickness on the order of 10 nm. The exchange interaction is manifested by the spin splitting of acceptor bound holes in the effective magnetic field induced by the FM. The exchange splitting is directly evaluated using spin-flip Raman scattering by analyzing the dependence of the Stokes shift ΔS on the external magnetic field B . We show that in a strong magnetic field, ΔS is a linear function of B with an offset of Δp d=50 -100 μ eV at zero field from the FM induced effective exchange field. On the other hand, the s -d exchange interaction between conduction band electrons and FM, as well as the p -d contribution for free valence band holes, are negligible. The results are well described by the model of indirect exchange interaction between acceptor bound holes in the CdTe quantum well and the FM layer mediated by elliptically polarized phonons in the hybrid structure.

Out of equilibrium transport through an Anderson impurity: probing scaling laws within the equation of motion approach.

PubMed

Balseiro, C A; Usaj, G; Sánchez, M J

2010-10-27

We study non-equilibrium electron transport through a quantum impurity coupled to metallic leads using the equation of motion technique at finite temperature T. Assuming that the interactions are taking place solely in the impurity and focusing on the infinite Hubbard limit, we compute the out of equilibrium density of states and the differential conductance G(2)(T, V) in order to test several scaling laws. We find that G(2)(T, V)/G(2)(T, 0) is a universal function of both eV/T(K) and T/T(K), T(K) being the Kondo temperature. The effect of an in-plane magnetic field on the splitting of the zero bias anomaly in the differential conductance is also analyzed. For a Zeeman splitting Δ, the computed differential conductance peak splitting depends only on Δ/T(K), and for large fields approaches the value of 2Δ. Besides studying the traditional two leads setup, we also consider other configurations that mimic recent experiments, namely, an impurity embedded in a mesoscopic wire and the presence of a third weakly coupled lead. In these cases, a double peak structure of the Kondo resonance is clearly obtained in the differential conductance while the amplitude of the highest peak is shown to decrease as ln(eV/T(K)). Several features of these results are in qualitative agreement with recent experimental observations reported on quantum dots.

Correlation of EMR and optical spectroscopy data for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 crystal - Extracting low symmetry aspects

NASA Astrophysics Data System (ADS)

Rudowicz, Czesław; Gnutek, Paweł; Açıkgöz, Muhammed

2015-08-01

In this study, the crystal field analysis for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4, for short YAB, crystal has been carried out to complement earlier study of the zero-field splitting (ZFS) parameters (ZFSPs). This analysis utilizes data on the distortion models obtained from analysis of the ZFSPs obtained experimentally by EMR for Cr3+ and Mn2+ ions at the Y3+ and Al3+ sites in YAB. This approach enables to verify and enhance reliability of the ZFSP modeling based on superposition model (SPM) analysis and the distortion models predicted previously. Subsequently, modeling of the crystal field parameters (CFPs) based on SPM analysis is carried out for Cr3+ and Mn2+ ions located at possible cation sites in YAB. The SPM predicted CFP values serve as input for the Crystal Field Analysis (CFA) package to calculate the CF energy levels. The predicted physical ZFS of the ground spin state, i.e. the 4A2 state for Cr3+ ion and the 6S state Mn2+ ions, enable calculation of the theoretical ZFSP values, D and D & (a-F), respectively, using the microscopic spin Hamiltonian (MSH) module in the CFA package. In this way, data on the distortions around the Cr3+ centers in YAB (and to a certain extent also for Mn2+ centers) obtained using the ZFSP data from EMR measurements may be correlated with data on the CF energy levels measured by optical spectroscopy. This modeling approach uncovers certain incompatibilities in the existing data for Cr3+:YAB, which call for reanalysis of the previous assignments of the energy levels observed in optical spectra and more accurate experimental data.

Observation of zero-point quantum fluctuations of a single-molecule magnet through the relaxation of its nuclear spin bath.

PubMed

Morello, A; Millán, A; de Jongh, L J

2014-03-21

A single-molecule magnet placed in a magnetic field perpendicular to its anisotropy axis can be truncated to an effective two-level system, with easily tunable energy splitting. The quantum coherence of the molecular spin is largely determined by the dynamics of the surrounding nuclear spin bath. Here we report the measurement of the nuclear spin-lattice relaxation rate 1/T1n in a single crystal of the single-molecule magnet Mn12-ac, at T ≈ 30 mK in perpendicular fields B⊥ up to 9 T. The relaxation channel at B ≈ 0 is dominated by incoherent quantum tunneling of the Mn12-ac spin S, aided by the nuclear bath itself. However for B⊥>5 T we observe an increase of 1/T1n by several orders of magnitude up to the highest field, despite the fact that the molecular spin is in its quantum mechanical ground state. This striking observation is a consequence of the zero-point quantum fluctuations of S, which allow it to mediate the transfer of energy from the excited nuclear spin bath to the crystal lattice at much higher rates. Our experiment highlights the importance of quantum fluctuations in the interaction between an "effective two-level system" and its surrounding spin bath.

Quantum correlations and violation of the Bell inequality induced by an external field in a two-photon radiative cascade

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

Yuan Luqi; Das, Sumanta

2011-06-15

We study the polarization-dependent second-order correlation of a pair of photons emitted in a four-level radiative cascade driven by an external field. It is found that the quantum correlations of the emitted photons, degraded by the energy splitting of the intermediate levels in the radiative cascade, can be efficiently revived by a far-detuned external field. The physics of this revival is linked to an induced Stark shift and the formation of dressed states in the system by the nonresonant external field. Furthermore, we investigated the competition between the effect of the coherent external field and incoherent dephasing of the intermediatemore » levels. We find that the degradation of quantum correlations due to the incoherent dephasing can be contained for small dephasing with the external field. We also studied the nonlocality of the correlations by evaluating the Bell inequality in the linear polarization basis for the radiative cascade. We find that the Bell parameter decreases rapidly with increase in the intermediate-level energy splitting or incoherent dephasing rate to the extent that there is no violation. However, the presence of an external field leads to control over the degrading mechanisms and preservation of nonlocal correlation among the photons. This in turn can induce a violation of Bell's inequality in the radiative cascade for arbitrary intermediate-level splitting and small incoherent dephasing.« less

Light scattering from liquid crystal director fluctuations in steady magnetic fields up to 25 tesla.

PubMed

Challa, Pavan K; Curtiss, O; Williams, J C; Twieg, R; Toth, J; McGill, S; Jákli, A; Gleeson, J T; Sprunt, S N

2012-07-01

We report on homodyne dynamic light scattering measurements of orientational fluctuation modes in both calamitic and bent-core nematic liquid crystals, carried out in the new split-helix resistive magnet at the National High Magnetic Field Laboratory. The relaxation rate and inverse scattered intensity of director fluctuations exhibit a linear dependence on field-squared up to 25 tesla, which is consistent with strictly lowest order coupling of the tensor order parameter Q to field (Q(αβ)B(α)B(β)) in the nematic free energy. However, we also observe evidence of field dependence of certain nematic material parameters, an effect which may be expected from the mean field scaling of these quantities with the magnitude of Q and the predicted variation of Q with field.

Transformations, Inc.: Partnering to Build Net-Zero Energy Houses in Massachusetts

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

Ueno, K.; Bergey, D.; Wytrykowska, H.

Transformations, Inc. is a residential development and building company that has partnered with Building Science Corporation to build new construction net-zero energy houses in Massachusetts under the Building America program. There are three communities that will be constructed through this partnership: Devens Sustainable Housing ('Devens'), The Homes at Easthampton Meadow ('Easthampton') andPhase II of the Coppersmith Way Development ('Townsend'). This report intends to cover all of the single-family new construction homes that have been completed to date. The houses built in these developments are net zero energy homes built in a cold climate. They will contribute to finding answers tomore » specific research questions for homes with high R double stud walls and high efficiency ductlessair source heat pump systems ('mini-splits'); allow to explore topics related to the financing of photovoltaic systems and basements vs. slab-on-grade construction; and provide feedback related to the performance of ductless mini-split air source heat pumps.« less

Transformations, Inc.. Partnering To Build Net-Zero Energy Houses in Massachusetts

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

Ueno, K.; Bergey, D.; Wytrykowska, H.

Transformations, Inc. is a residential development and building company that has partnered with Building Science Corporation to build new construction net-zero energy houses in Massachusetts under the Building America program. There are three communities that will be constructed through this partnership: Devens Sustainable Housing ("Devens"), The Homes at Easthampton Meadow ("Easthampton") and Phase II of the Coppersmith Way Development ("Townsend"). This report intends to cover all of the single-family new construction homes that have been completed to date. The houses built in these developments are net zero energy homes built in a cold climate. They will contribute to finding answersmore » to specific research questions for homes with high R double stud walls and high efficiency ductless air source heat pump systems ("mini-splits"); allow to explore topics related to the financing of photovoltaic systems and basements vs. slab-on-grade construction; and provide feedback related to the performance of ductless mini-split air source heat pumps.« less

Photoexcited singlet and triplet states of a UV absorber ethylhexyl methoxycrylene.

PubMed

Kikuchi, Azusa; Hata, Yuki; Kumasaka, Ryo; Nanbu, Yuichi; Yagi, Mikio

2013-01-01

The excited states of UV absorber, ethylhexyl methoxycrylene (EHMCR) have been studied through measurements of UV absorption, fluorescence, phosphorescence and electron paramagnetic resonance (EPR) spectra in ethanol. The energy levels of the lowest excited singlet (S1) and triplet (T1) states of EHMCR were determined. The energy levels of the S1 and T1 states of EHMCR are much lower than those of photolabile 4-tert-butyl-4'-methoxydibenzoylmethane. The energy levels of the S1 and T1 states of EHMCR are lower than those of octyl methoxycinnamate. The weak phosphorescence and EPR B(min) signals were observed and the lifetime was estimated to be 93 ms. These facts suggest that the significant proportion of the S1 molecules undergoes intersystem crossing to the T1 state, and the deactivation process from the T1 state is predominantly radiationless. The photostability of EHMCR arises from the (3)ππ* character in the T1 state. The zero-field splitting (ZFS) parameter in the T1 state is D** = 0.113 cm(-1). © 2012 The Authors Photochemistry and Photobiology © 2012 The American Society of Photobiology.

Optical and electron paramagnetic resonance studies of the excited triplet states of UV-B absorbers: 2-ethylhexyl salicylate and homomenthyl salicylate.

PubMed

Sugiyama, Kazuto; Tsuchiya, Takumi; Kikuchi, Azusa; Yagi, Mikio

2015-09-26

The energy levels and lifetimes of the lowest excited triplet (T1) states of UV-B absorbers, 2-ethylhexyl salicylate (EHS) and homomenthyl salicylate (HMS), and their deprotonated anions (EHS(-) and HMS(-)) were determined through measurements of phosphorescence and electron paramagnetic resonance (EPR) spectra in rigid solutions at 77 K. The observed T1 energies of EHS and HMS are higher than those of butylmethoxydibenzoylmethane, the most widely used UV-A absorber, and octyl methoxycinnamate, the most widely used UV-B absorber. The T1 states of EHS, HMS, EHS(-) and HMS(-) were assigned to almost pure (3)ππ* state from the observed T1 lifetimes and zero-field splitting parameters. EHS and HMS with an intramolecular hydrogen bond show a photoinduced phosphorescence enhancement in ethanol at 77 K. The EPR signals of the T1 states of EHS and HMS also increase in intensity with UV-irradiation time (photoinduced EPR enhancement). The T1 lifetimes of EHS and HMS at room temperature were determined through triplet-triplet absorption measurements in ethanol. The quantum yields of singlet oxygen production by EHS and HMS were determined by using time-resolved near-IR phosphorescence.

Electron Spin Resonance and optical absorption spectroscopic studies of manganese centers in aluminium lead borate glasses.

PubMed

SivaRamaiah, G; LakshmanaRao, J

2012-12-01

Electron Spin Resonance (ESR) and optical absorption studies of 5Al(2)O(3)+75H(3)BO(3)+(20-x)PbO+xMnSO(4) (where x=0.5, 1,1.5 and 2 mol% of MnSO(4)) glasses at room temperature have been studied. The ESR spectrum of all the glasses exhibits resonance signals with effective isotropic g values at ≈2.0, 3.3 and 4.3. The ESR resonance signal at isotropic g≈2.0 has been attributed to Mn(2+) centers in an octahedral symmetry. The ESR resonance signals at isotropic g≈3.3 and 4.3 have been attributed to the rhombic symmetry of the Mn(2+) ions. The zero-field splitting parameter (zfs) has been calculated from the intensities of the allowed hyperfine lines. The optical absorption spectrum exhibits an intense band in the visible region and it has been attributed to (5)E(g)→(5)T(2g) transition of Mn(3+)centers in an octahedral environment. The optical band gap and the Urbach energies have been calculated from the ultraviolet absorption edges. Copyright © 2012 Elsevier B.V. All rights reserved.

Quantum cryptography protocols robust against photon number splitting attacks for weak laser pulse implementations.

PubMed

Scarani, Valerio; Acín, Antonio; Ribordy, Grégoire; Gisin, Nicolas

2004-02-06

We introduce a new class of quantum key distribution protocols, tailored to be robust against photon number splitting (PNS) attacks. We study one of these protocols, which differs from the original protocol by Bennett and Brassard (BB84) only in the classical sifting procedure. This protocol is provably better than BB84 against PNS attacks at zero error.

Generalized field-splitting algorithms for optimal IMRT delivery efficiency.

PubMed

Kamath, Srijit; Sahni, Sartaj; Li, Jonathan; Ranka, Sanjay; Palta, Jatinder

2007-09-21

Intensity-modulated radiation therapy (IMRT) uses radiation beams of varying intensities to deliver varying doses of radiation to different areas of the tissue. The use of IMRT has allowed the delivery of higher doses of radiation to the tumor and lower doses to the surrounding healthy tissue. It is not uncommon for head and neck tumors, for example, to have large treatment widths that are not deliverable using a single field. In such cases, the intensity matrix generated by the optimizer needs to be split into two or three matrices, each of which may be delivered using a single field. Existing field-splitting algorithms used the pre-specified arbitrary split line or region where the intensity matrix is split along a column, i.e., all rows of the matrix are split along the same column (with or without the overlapping of split fields, i.e., feathering). If three fields result, then the two splits are along the same two columns for all rows. In this paper we study the problem of splitting a large field into two or three subfields with the field width as the only constraint, allowing for an arbitrary overlap of the split fields, so that the total MU efficiency of delivering the split fields is maximized. Proof of optimality is provided for the proposed algorithm. An average decrease of 18.8% is found in the total MUs when compared to the split generated by a commercial treatment planning system and that of 10% is found in the total MUs when compared to the split generated by our previously published algorithm.

Spectral Characteristics of the Unitary Critical Almost-Mathieu Operator

NASA Astrophysics Data System (ADS)

Fillman, Jake; Ong, Darren C.; Zhang, Zhenghe

2017-04-01

We discuss spectral characteristics of a one-dimensional quantum walk whose coins are distributed quasi-periodically. The unitary update rule of this quantum walk shares many spectral characteristics with the critical Almost-Mathieu Operator; however, it possesses a feature not present in the Almost-Mathieu Operator, namely singularity of the associated cocycles (this feature is, however, present in the so-called Extended Harper's Model). We show that this operator has empty absolutely continuous spectrum and that the Lyapunov exponent vanishes on the spectrum; hence, this model exhibits Cantor spectrum of zero Lebesgue measure for all irrational frequencies and arbitrary phase, which in physics is known as Hofstadter's butterfly. In fact, we will show something stronger, namely, that all spectral parameters in the spectrum are of critical type, in the language of Avila's global theory of analytic quasiperiodic cocycles. We further prove that it has empty point spectrum for each irrational frequency and away from a frequency-dependent set of phases having Lebesgue measure zero. The key ingredients in our proofs are an adaptation of Avila's Global Theory to the present setting, self-duality via the Fourier transform, and a Johnson-type theorem for singular dynamically defined CMV matrices which characterizes their spectra as the set of spectral parameters at which the associated cocycles fail to admit a dominated splitting.

Distance measurements in Au nanoparticles functionalized with nitroxide radicals and Gd(3+)-DTPA chelate complexes.

PubMed

Yulikov, Maxim; Lueders, Petra; Warsi, Muhammad Farooq; Chechik, Victor; Jeschke, Gunnar

2012-08-14

Nanosized gold particles were functionalised with two types of paramagnetic surface tags, one having a nitroxide radical and the other one carrying a DTPA complex loaded with Gd(3+). Selective measurements of nitroxide-nitroxide, Gd(3+)-nitroxide and Gd(3+)-Gd(3+) distances were performed on this system and information on the distance distribution in the three types of spin pairs was obtained. A numerical analysis of the dipolar frequency distributions is presented for Gd(3+) centres with moderate magnitudes of zero-field splitting, in the range of detection frequencies and resonance fields where the high-field approximation is only roughly valid. The dipolar frequency analysis confirms the applicability of DEER for distance measurements in such complexes and gives an estimate for the magnitudes of possible systematic errors due to the non-ideality of the measurement of the dipole-dipole interaction.

Tuning Metamaterials by using Amorphous Magnetic Microwires

NASA Astrophysics Data System (ADS)

Lopez-Dominguez, Victor; Garcia, Miguel Angel; Marin, Pilar; Hernando, Antonio

Tuning the electromagnetic properties of metamaterials using external stimulus result appealing for both, fundamental and applied reasons. Little work has been developed in the tuning of the properties of a metamaterial by magnetic fields. The main reason relies on the fact that most magnetic materials tale off their response at the microwave band, or they are moderately active only at their Ferromagnetic Resonance, as it is the case of ferrites. These limitations can be overcome using Co-based Magnetic microwires with a quasi-zero magnetostriction that leads to a high permeability at microwave frequencies. The inclusion of magnetic microwires in a metamaterial type Split Ring Resonator array (SRR) allows tuning their electromagnetic properties with low magnetic fields. The results clearly show an effective tune of the S-coefficients up-to 8 dB using 100 microwires per SRR for DC fields between 0 and 20 Oe.

Survival of Verwey transition in gadolinium-doped ultrasmall magnetite nanoparticles.

PubMed

Yeo, Sunmog; Choi, Hyunkyung; Kim, Chul Sung; Lee, Gyeong Tae; Seo, Jeong Hyun; Cha, Hyung Joon; Park, Jeong Chan

2017-09-28

We have demonstrated that the Verwey transition, which is highly sensitive to impurities, survives in anisotropic Gd-doped magnetite nanoparticles. Transmission electron microscopy analysis shows that the nanoparticles are uniformly distributed. X-ray photoelectron spectroscopy and EDS mapping analysis confirm Gd-doping on the nanoparticles. The Verwey transition of the Gd-doped magnetite nanoparticles is robust and the temperature dependence of the magnetic moment (zero field cooling and field cooling) shows the same behaviour as that of the Verwey transition in bulk magnetite, at a lower transition temperature (∼110 K). In addition, irregularly shaped nanoparticles do not show the Verwey transition whereas square-shaped nanoparticles show the transition. Mössbauer spectral analysis shows that the slope of the magnetic hyperfine field and the electric quadrupole splitting change at the same temperature, meaning that the Verwey transition occurs at ∼110 K. These results would provide new insights into understanding the Verwey transition in nano-sized materials.

Application of lab derived kinetic biodegradation parameters at the field scale

NASA Astrophysics Data System (ADS)

Schirmer, M.; Barker, J. F.; Butler, B. J.; Frind, E. O.

2003-04-01

Estimating the intrinsic remediation potential of an aquifer typically requires the accurate assessment of the biodegradation kinetics, the level of available electron acceptors and the flow field. Zero- and first-order degradation rates derived at the laboratory scale generally overpredict the rate of biodegradation when applied to the field scale, because limited electron acceptor availability and microbial growth are typically not considered. On the other hand, field estimated zero- and first-order rates are often not suitable to forecast plume development because they may be an oversimplification of the processes at the field scale and ignore several key processes, phenomena and characteristics of the aquifer. This study uses the numerical model BIO3D to link the laboratory and field scale by applying laboratory derived Monod kinetic degradation parameters to simulate a dissolved gasoline field experiment at Canadian Forces Base (CFB) Borden. All additional input parameters were derived from laboratory and field measurements or taken from the literature. The simulated results match the experimental results reasonably well without having to calibrate the model. An extensive sensitivity analysis was performed to estimate the influence of the most uncertain input parameters and to define the key controlling factors at the field scale. It is shown that the most uncertain input parameters have only a minor influence on the simulation results. Furthermore it is shown that the flow field, the amount of electron acceptor (oxygen) available and the Monod kinetic parameters have a significant influence on the simulated results. Under the field conditions modelled and the assumptions made for the simulations, it can be concluded that laboratory derived Monod kinetic parameters can adequately describe field scale degradation processes, if all controlling factors are incorporated in the field scale modelling that are not necessarily observed at the lab scale. In this way, there are no scale relationships to be found that link the laboratory and the field scale, accurately incorporating the additional processes, phenomena and characteristics, such as a) advective and dispersive transport of one or more contaminants, b) advective and dispersive transport and availability of electron acceptors, c) mass transfer limitations and d) spatial heterogeneities, at the larger scale and applying well defined lab scale parameters should accurately describe field scale processes.

Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

NASA Astrophysics Data System (ADS)

Braaten, Eric; Johnson, Evan; Zhang, Hong

2018-05-01

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. The effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.

Optimal control of orientation and entanglement for two dipole-dipole coupled quantum planar rotors.

PubMed

Yu, Hongling; Ho, Tak-San; Rabitz, Herschel

2018-05-09

Optimal control simulations are performed for orientation and entanglement of two dipole-dipole coupled identical quantum rotors. The rotors at various fixed separations lie on a model non-interacting plane with an applied control field. It is shown that optimal control of orientation or entanglement represents two contrasting control scenarios. In particular, the maximally oriented state (MOS) of the two rotors has a zero entanglement entropy and is readily attainable at all rotor separations. Whereas, the contrasting maximally entangled state (MES) has a zero orientation expectation value and is most conveniently attainable at small separations where the dipole-dipole coupling is strong. It is demonstrated that the peak orientation expectation value attained by the MOS at large separations exhibits a long time revival pattern due to the small energy splittings arising form the extremely weak dipole-dipole coupling between the degenerate product states of the two free rotors. Moreover, it is found that the peak entanglement entropy value attained by the MES remains largely unchanged as the two rotors are transported to large separations after turning off the control field. Finally, optimal control simulations of transition dynamics between the MOS and the MES reveal the intricate interplay between orientation and entanglement.

Electrically tunable dynamic nuclear spin polarization in GaAs quantum dots at zero magnetic field

NASA Astrophysics Data System (ADS)

Manca, M.; Wang, G.; Kuroda, T.; Shree, S.; Balocchi, A.; Renucci, P.; Marie, X.; Durnev, M. V.; Glazov, M. M.; Sakoda, K.; Mano, T.; Amand, T.; Urbaszek, B.

2018-04-01

In III-V semiconductor nano-structures, the electron and nuclear spin dynamics are strongly coupled. Both spin systems can be controlled optically. The nuclear spin dynamics are widely studied, but little is known about the initialization mechanisms. Here, we investigate optical pumping of carrier and nuclear spins in charge tunable GaAs dots grown on 111A substrates. We demonstrate dynamic nuclear polarization (DNP) at zero magnetic field in a single quantum dot for the positively charged exciton X+ state transition. We tune the DNP in both amplitude and sign by variation of an applied bias voltage Vg. Variation of ΔVg on the order of 100 mV changes the Overhauser splitting (nuclear spin polarization) from -30 μeV (-22%) to +10 μeV (+7%) although the X+ photoluminescence polarization does not change sign over this voltage range. This indicates that absorption in the structure and energy relaxation towards the X+ ground state might provide favourable scenarios for efficient electron-nuclear spin flip-flops, generating DNP during the first tens of ps of the X+ lifetime which is on the order of hundreds of ps. Voltage control of DNP is further confirmed in Hanle experiments.

QCD nature of dark energy at finite temperature: Cosmological implications

NASA Astrophysics Data System (ADS)

Azizi, K.; Katırcı, N.

2016-05-01

The Veneziano ghost field has been proposed as an alternative source of dark energy, whose energy density is consistent with the cosmological observations. In this model, the energy density of the QCD ghost field is expressed in terms of QCD degrees of freedom at zero temperature. We extend this model to finite temperature to search the model predictions from late time to early universe. We depict the variations of QCD parameters entering the calculations, dark energy density, equation of state, Hubble and deceleration parameters on temperature from zero to a critical temperature. We compare our results with the observations and theoretical predictions existing at different eras. It is found that this model safely defines the universe from quark condensation up to now and its predictions are not in tension with those of the standard cosmology. The EoS parameter of dark energy is dynamical and evolves from -1/3 in the presence of radiation to -1 at late time. The finite temperature ghost dark energy predictions on the Hubble parameter well fit to those of Λ CDM and observations at late time.

A Near Zero Refractive Index Metamaterial for Electromagnetic Invisibility Cloaking Operation

PubMed Central

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2015-01-01

The paper reveals the design of a unit cell of a metamaterial that shows more than 2 GHz wideband near zero refractive index (NZRI) property in the C-band region of microwave spectra. The two arms of the unit cell were splitted in such a way that forms a near-pi-shape structure on epoxy resin fiber (FR-4) substrate material. The reflection and transmission characteristics of the unit cell were achieved by utilizing finite integration technique based simulation software. Measured results were presented, which complied well with simulated results. The unit cell was then applied to build a single layer rectangular-shaped cloak that operates in the C-band region where a metal cylinder was perfectly hidden electromagnetically by reducing the scattering width below zero. Moreover, the unit cell shows NZRI property there. The experimental result for the cloak operation was presented in terms of S-parameters as well. In addition, the same metamaterial shell was also adopted for designing an eye-shaped and triangular-shaped cloak structure to cloak the same object, and cloaking operation is achieved in the C-band, as well with slightly better cloaking performance. The novel design, NZRI property, and single layer C-band cloaking operation has made the design a promising one in the electromagnetic paradigm. PMID:28793472

A Near Zero Refractive Index Metamaterial for Electromagnetic Invisibility Cloaking Operation.

PubMed

Islam, Sikder Sunbeam; Faruque, Mohammad Rashed Iqbal; Islam, Mohammad Tariqul

2015-07-29

The paper reveals the design of a unit cell of a metamaterial that shows more than 2 GHz wideband near zero refractive index (NZRI) property in the C-band region of microwave spectra. The two arms of the unit cell were splitted in such a way that forms a near-pi-shape structure on epoxy resin fiber (FR-4) substrate material. The reflection and transmission characteristics of the unit cell were achieved by utilizing finite integration technique based simulation software. Measured results were presented, which complied well with simulated results. The unit cell was then applied to build a single layer rectangular-shaped cloak that operates in the C-band region where a metal cylinder was perfectly hidden electromagnetically by reducing the scattering width below zero. Moreover, the unit cell shows NZRI property there. The experimental result for the cloak operation was presented in terms of S-parameters as well. In addition, the same metamaterial shell was also adopted for designing an eye-shaped and triangular-shaped cloak structure to cloak the same object, and cloaking operation is achieved in the C-band, as well with slightly better cloaking performance. The novel design, NZRI property, and single layer C-band cloaking operation has made the design a promising one in the electromagnetic paradigm.

Robust fully-compensated ferrimagnetism and semiconductivity in inverse Heusler compounds: Ti2VZ (Z = P, As, Sb, Bi)

NASA Astrophysics Data System (ADS)

Zhang, Y. J.; Liu, Z. H.; Liu, G. D.; Ma, X. Q.; Cheng, Z. X.

2018-03-01

Compensated ferrimagnets, due to their zero net magnetization and potential for large spin-polarization, have been attracting more and more attention in the field of spintronics. We demonstrate potential candidate materials among the inverse Heusler compounds Ti2VZ (Z = P, As, Sb, Bi) by first principles calculations. It is found that these compounds with 18 valence electrons per unit cell have zero net magnetic moment with compensated sublattice magnetization, as anticipated by a variant of Slater-Pauling rule of Mt = NV - 18, where Mt is the total spin magnetic moment per formula unit and NV is the number of valence electrons per formula unit, and show semiconducting behavior in both spin channels with a moderate exchange splitting, as with ordinary ferromagnetic semiconductors. Furthermore, the fully compensated ferrimagnetism and semiconductivity are rather robust over a wide range of lattice contraction and expansion. Due to the above distinct advantages, these compounds will be promising candidates for spintronic applications.

Split Dirac Supersymmetry: An Ultraviolet Completion of Higgsino Dark Matter

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

Fox, Patrick J.; Kribs, Graham D.; Martin, Adam

2014-10-07

Motivated by the observation that the Higgs quartic coupling runs to zero at an intermediate scale, we propose a new framework for models of split supersymmetry, in which gauginos acquire intermediate scale Dirac masses ofmore » $$\\sim 10^{8-11}$$ GeV. Scalar masses arise from one-loop finite contributions as well as direct gravity-mediated contributions. Like split supersymmetry, one Higgs doublet is fine-tuned to be light. The scale at which the Dirac gauginos are introduced to make the Higgs quartic zero is the same as is necessary for gauge coupling unification. Thus, gauge coupling unification persists (nontrivially, due to adjoint multiplets), though with a somewhat higher unification scale $$\\gtrsim 10^{17}$$ GeV. The $$\\mu$$-term is naturally at the weak scale, and provides an opportunity for experimental verification. We present two manifestations of Split Dirac Supersymmetry. In the "Pure Dirac" model, the lightest Higgsino must decay through R-parity violating couplings, leading to an array of interesting signals in colliders. In the "Hypercharge Impure" model, the bino acquires a Majorana mass that is one-loop suppressed compared with the Dirac gluino and wino. This leads to weak scale Higgsino dark matter whose overall mass scale, as well as the mass splitting between the neutral components, is naturally generated from the same UV dynamics. We outline the challenges to discovering pseudo-Dirac Higgsino dark matter in collider and dark matter detection experiments.« less

A single-solenoid pulsed-magnet system for single-crystal scattering studies

NASA Astrophysics Data System (ADS)

Islam, Zahirul; Capatina, Dana; Ruff, Jacob P. C.; Das, Ritesh K.; Trakhtenberg, Emil; Nojiri, Hiroyuki; Narumi, Yasuo; Welp, Ulrich; Canfield, Paul C.

2012-03-01

We present a pulsed-magnet system that enables x-ray single-crystal diffraction in addition to powder and spectroscopic studies with the magnetic field applied on or close to the scattering plane. The apparatus consists of a single large-bore solenoid, cooled by liquid nitrogen. A second independent closed-cycle cryostat is used for cooling samples near liquid helium temperatures. Pulsed magnetic fields close to ˜30 T with a zero-to-peak-field rise time of ˜2.9 ms are generated by discharging a 40 kJ capacitor bank into the magnet coil. The unique characteristic of this instrument is the preservation of maximum scattering angle (˜23.6°) on the entrance and exit sides of the magnet bore by virtue of a novel double-funnel insert. This instrument will facilitate x-ray diffraction and spectroscopic studies that are impractical, if not impossible, to perform using split-pair and narrow-opening solenoid magnets. Furthermore, it offers a practical solution for preserving optical access in future higher-field pulsed magnets.

Magnetic field dependent electronic transport of Mn4 single-molecule magnet.

NASA Astrophysics Data System (ADS)

Haque, F.; Langhirt, M.; Henderson, J. J.; Del Barco, E.; Taguchi, T.; Christou, G.

2010-03-01

We have performed single-electron transport measurements on a Mn4 single-molecule magnet (SMM) in where amino groups were added to electrically protect the magnetic core and to increase the stability of the molecule when deposited on the single-electron transistor (SET) chip. A three-terminal SET with nano-gap electro-migrated gold electrodes and a naturally oxidized Aluminum back gate. Experiments were conducted at temperatures down to 230mK in the presence of high magnetic fields generated by a superconducting vector magnet. Mn4 molecules were deposited from solution to form a mono-layer. The optimum deposition time was determined by AFM analysis on atomically flat gold surfaces. We have observed Coulomb blockade an electronic excitations that curve with the magnetic field and present zero-field splitting, which represents evidence of magnetic anisotropy. Level anticrossings and large excitations slopes are associated with the behavior of molecular states with high spin values (S ˜ 9), as expected from Mn4.

Negative refraction and backward wave in pseudochiral mediums: illustrations of Gaussian beams.

PubMed

Chern, Ruey-Lin; Chang, Po-Han

2013-02-11

We investigate the phenomena of negative refraction and backward wave in pseudochiral mediums, with illustrations of Gaussian beams. Due to symmetry breaking intrinsic in pseudochiral mediums, there exist two elliptically polarized eigenwaves with different wave vectors. As the chirality parameter increases from zero, the two waves begin to split from each other. For a wave incident from vacuum onto a pseudochiral medium, negative refraction may occur for the right-handed wave, whereas backward wave may appear for the left-handed wave. These features are illustrated with Gaussian beams based on Fourier integral formulations for the incident, reflected, and transmitted waves. Negative refraction and backward wave are manifest, respectively, on the energy flow in space and wavefront movement in time.

Functional split brain in a driving/listening paradigm

PubMed Central

Boly, Melanie; Mensen, Armand; Tononi, Giulio

2016-01-01

We often engage in two concurrent but unrelated activities, such as driving on a quiet road while listening to the radio. When we do so, does our brain split into functionally distinct entities? To address this question, we imaged brain activity with fMRI in experienced drivers engaged in a driving simulator while listening either to global positioning system instructions (integrated task) or to a radio show (split task). We found that, compared with the integrated task, the split task was characterized by reduced multivariate functional connectivity between the driving and listening networks. Furthermore, the integrated information content of the two networks, predicting their joint dynamics above and beyond their independent dynamics, was high in the integrated task and zero in the split task. Finally, individual subjects’ ability to switch between high and low information integration predicted their driving performance across integrated and split tasks. This study raises the possibility that under certain conditions of daily life, a single brain may support two independent functional streams, a “functional split brain” similar to what is observed in patients with an anatomical split. PMID:27911805

Functional split brain in a driving/listening paradigm.

PubMed

Sasai, Shuntaro; Boly, Melanie; Mensen, Armand; Tononi, Giulio

2016-12-13

We often engage in two concurrent but unrelated activities, such as driving on a quiet road while listening to the radio. When we do so, does our brain split into functionally distinct entities? To address this question, we imaged brain activity with fMRI in experienced drivers engaged in a driving simulator while listening either to global positioning system instructions (integrated task) or to a radio show (split task). We found that, compared with the integrated task, the split task was characterized by reduced multivariate functional connectivity between the driving and listening networks. Furthermore, the integrated information content of the two networks, predicting their joint dynamics above and beyond their independent dynamics, was high in the integrated task and zero in the split task. Finally, individual subjects' ability to switch between high and low information integration predicted their driving performance across integrated and split tasks. This study raises the possibility that under certain conditions of daily life, a single brain may support two independent functional streams, a "functional split brain" similar to what is observed in patients with an anatomical split.

Feature Extraction for Pose Estimation. A Comparison Between Synthetic and Real IR Imagery

DTIC Science & Technology

1991-12-01

determine the orientation of the sensor relative to the target ....... ........................ 33 4. Effects of changing sensor and target parameters...Reference object is a T-62 tank facing the viewer (sensor/target parameters set equal to zero). NOTE: Changing the target parameters produces...anomalous results. For these images, the field of view (FOV) was not changed .......................... 35 5. Image anomalies from changing the target

Spin-dependent Otto quantum heat engine based on a molecular substance

NASA Astrophysics Data System (ADS)

Hübner, W.; Lefkidis, G.; Dong, C. D.; Chaudhuri, D.; Chotorlishvili, L.; Berakdar, J.

2014-07-01

We explore the potential of single molecules for thermodynamic cycles. To this end we propose two molecular heat engines based on the Ni2 dimer in the presence of a static magnetic field: (a) a quantum Otto engine and (b) a modified quantum Otto engine for which optical excitations induced by a laser pulse substitute for one of the heat-exchange points. For reliable predictions and to inspect the role of spin and electronic correlations we perform fully correlated ab initio calculations of the molecular electronic structure including spin-orbital effects. We analyze the efficiency of the engines in dependence of the electronic level scheme and the entanglement and find a significant possible enhancement connected to the quantum nature and the heat capacity of the dimer, as well as to the zero-field triplet states splitting.

Tunneling dynamics of double proton transfer in formic acid and benzoic acid dimers

NASA Astrophysics Data System (ADS)

Smedarchina, Zorka; Fernández-Ramos, Antonio; Siebrand, Willem

2005-04-01

Direct dynamics calculations based on instanton techniques are reported of tunneling splittings due to double proton transfer in formic and benzoic acid dimers. The results are used to assign the observed splittings to levels for which the authors of the high-resolution spectra could not provide a definitive assignment. In both cases the splitting is shown to be due mainly to the zero-point level rather than to the vibrationally or electronically excited level whose spectrum was investigated. This leads to zero-point splittings of 375MHz for (DCOOH)2 and 1107MHz for the benzoic acid dimer. Thus, contrary to earlier calculations, it is found that the splitting is considerably larger in the benzoic than in the formic acid dimer. The calculations are extended to solid benzoic acid where the asymmetry of the proton-transfer potential induced by the crystal can be overcome by suitable doping. This has allowed direct measurement of the interactions responsible for double proton transfer, which were found to be much larger than those in the isolated dimer. To account for this observation both static and dynamic effects of the crystal forces on the intradimer hydrogen bonds are included in the calculations. The same methodology, extended to higher temperatures, is used to calculate rate constants for HH, HD, and DD transfers in neat benzoic acid crystals. The results are in good agreement with reported experimental rate constants measured by NMR relaxometry and, if allowance is made for small structural changes induced by doping, with the transfer matrix elements observed in doped crystals. Hence the method used allows a unified description of tunneling splittings in the gas phase and in doped crystals as well as of transfer rates in neat crystals.

Two statistics for evaluating parameter identifiability and error reduction

USGS Publications Warehouse

Doherty, John; Hunt, Randall J.

2009-01-01

Two statistics are presented that can be used to rank input parameters utilized by a model in terms of their relative identifiability based on a given or possible future calibration dataset. Identifiability is defined here as the capability of model calibration to constrain parameters used by a model. Both statistics require that the sensitivity of each model parameter be calculated for each model output for which there are actual or presumed field measurements. Singular value decomposition (SVD) of the weighted sensitivity matrix is then undertaken to quantify the relation between the parameters and observations that, in turn, allows selection of calibration solution and null spaces spanned by unit orthogonal vectors. The first statistic presented, "parameter identifiability", is quantitatively defined as the direction cosine between a parameter and its projection onto the calibration solution space. This varies between zero and one, with zero indicating complete non-identifiability and one indicating complete identifiability. The second statistic, "relative error reduction", indicates the extent to which the calibration process reduces error in estimation of a parameter from its pre-calibration level where its value must be assigned purely on the basis of prior expert knowledge. This is more sophisticated than identifiability, in that it takes greater account of the noise associated with the calibration dataset. Like identifiability, it has a maximum value of one (which can only be achieved if there is no measurement noise). Conceptually it can fall to zero; and even below zero if a calibration problem is poorly posed. An example, based on a coupled groundwater/surface-water model, is included that demonstrates the utility of the statistics. ?? 2009 Elsevier B.V.

Microwave Emission From Relativistic Electron Beams

DTIC Science & Technology

1993-04-12

the Army position, policyX, or decision, unless so designated by other documentation. 124. DISTRIBUTION i AVAILAOILITY STATEMENT I 12b. DISTRIBUTION...klystron (inodel 343). An assembly of six focusing coils is de - signed so that their magnetic field lines lie along the zero-magnetic field electron...less than 1% is achieved. Preliminary field measurements of a 30 period prototype undulator and the design parameters of a submillimeter experiment

Artificial magnetic-field quenches in synthetic dimensions

NASA Astrophysics Data System (ADS)

Yılmaz, F.; Oktel, M. Ö.

2018-02-01

Recent cold atom experiments have realized models where each hyperfine state at an optical lattice site can be regarded as a separate site in a synthetic dimension. In such synthetic ribbon configurations, manipulation of the transitions between the hyperfine levels provide direct control of the hopping in the synthetic dimension. This effect was used to simulate a magnetic field through the ribbon. Precise control over the hopping matrix elements in the synthetic dimension makes it possible to change this artificial magnetic field much faster than the time scales associated with atomic motion in the lattice. In this paper, we consider such a magnetic-flux quench scenario in synthetic dimensions. Sudden changes have not been considered for real magnetic fields as such changes in a conducting system would result in large induced currents. Hence we first study the difference between a time varying real magnetic field and an artificial magnetic field using a minimal six-site model. This minimal model clearly shows the connection between gauge dependence and the lack of on-site induced scalar potential terms. We then investigate the dynamics of a wave packet in an infinite two- or three-leg ladder following a flux quench and find that the gauge choice has a dramatic effect on the packet dynamics. Specifically, a wave packet splits into a number of smaller packets moving with different velocities. Both the weights and the number of packets depend on the implemented gauge. If an initial packet, prepared under zero flux in an n -leg ladder, is quenched to Hamiltonian with a vector potential parallel to the ladder, it splits into at most n smaller wave packets. The same initial wave packet splits into up to n2 packets if the vector potential is implemented to be along the rungs. Even a trivial difference in the gauge choice such as the addition of a constant to the vector potential produces observable effects. We also calculate the packet weights for arbitrary initial and final fluxes. Finally, we show that edge states in a thick ribbon are robust under the quench only when the same gap supports an edge state for the final Hamiltonian.

Magnetic field dependence of spin torque switching in nanoscale magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Yang, Liu; Rowlands, Graham; Katine, Jordan; Langer, Juergen; Krivorotov, Ilya

2012-02-01

Magnetic random access memory based on spin transfer torque effect in nanoscale magnetic tunnel junctions (STT-RAM) is emerging as a promising candidate for embedded and stand-alone computer memory. An important performance parameter of STT-RAM is stability of its free magnetic layer against thermal fluctuations. Measurements of the free layer switching probability as a function of sub-critical voltage at zero effective magnetic field (read disturb rate or RDR measurements) have been proposed as a method for quantitative evaluation of the free layer thermal stability at zero voltage. In this presentation, we report RDR measurement as a function of external magnetic field, which provide a test of the RDR method self-consistency and reliability.

Orbital effect for the Fulde-Ferrell-Larkin-Ovchinnikov phase in a quasi-two-dimensional superconductor in a parallel magnetic field

NASA Astrophysics Data System (ADS)

Lebed, A. G.

2018-04-01

We theoretically study the orbital destructive effect against superconductivity in a parallel magnetic field in the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO or LOFF) phase at zero temperature in a quasi-two-dimensional (Q2D) conductor. We demonstrate that at zero temperature a special parameter, λ =l⊥(H ) /d , is responsible for strength of the orbital effect, where l⊥(H ) is a typical "size" of the quasiclassical electron orbit in a magnetic field and d is the interplane distance. We discuss applications of our results to the existing experiments on the FFLO phase in the organic Q2D conductors κ -(ET) 2Cu (NCS) 2 and κ -(ET) 2Cu [N (CN) 2] Cl .

EMR studies of the internal motion of Mn4+ ions in the Sr overdoped (La1-xSrx)(Ga1-yMny)O3 (x/y up to 8) supplemented by magnetic and optical spectroscopy measurements

NASA Astrophysics Data System (ADS)

Aleshkevych, Pavlo; Fink-Finowicki, Jan; Zayarnyuk, Tatiana; Radelytskyi, Igor; Berkowski, Marek; Rudowicz, Czeslaw; Gnutek, Pawel

2015-06-01

The effect of the Sr doping on electronic structure in single crystals of (La1-xSrx)(Ga1-yMny)O3 solid solutions (LSGM) is investigated by means of electron magnetic resonance (EMR). The EMR results are supplemented by magnetic susceptibility and optical spectroscopy measurements. The compositions with small concentration of Mn doping (y < 1%) and overdoped content of Sr (the ratio x(Sr)/y(Mn) up to 8) are used to maximally enhance the role of divalent doping. The experimental results provide evidence of the holes delocalization in the overdoped compound (x(Sr)/y(Mn) > 1). This delocalization is accompanied by appearance of the new charge transfer transitions in the optical spectrum and dynamical valence change of manganese atoms. Additionally we observe the thermally activated narrowing of resonance EMR lines due to the internal motion, which is characterized by the energy barrier depending strongly on the ratio x(Sr)/y(Mn). The energy barrier is found to be associated with the charge carrier (hole) self-trapped energy. Fitting the EMR spectra in three orthogonal planes to an orthorhombic spin Hamiltonian enables extracting the zero-field splitting (ZFS) parameters and the Zeeman g-factors for Mn4+ (S = 3/2) ions in LSGM. The experimental ZFS parameters are modeled using superposition model analysis based on an orthorhombic symmetry approximation.

Magnetic anisotropy of the antiferromagnetic ring [Cr8F8Piv16].

PubMed

van Slageren, Joris; Sessoli, Roberta; Gatteschi, Dante; Smith, Andrew A; Helliwell, Madeleine; Winpenny, Richard E P; Cornia, Andrea; Barra, Anne-Laure; Jansen, Aloysius G M; Rentschler, Eva; Timco, Grigore A

2002-01-04

A new tetragonal (P42(1)2) crystalline form of [Cr8F8Piv16] (HPiv = pivalic acid, trimethyl acetic acid) is reported. The ring-shaped molecules, which are aligned in a parallel fashion in the unit cell, form almost perfectly planar, regular octagons. The interaction between the CrIII ions is antiferromagnetic (J = 12 cm(-1)) which results in a S = 0 spin ground state. The low-lying spin excited states were investigated by cantilever torque magnetometry (CTM) and high-frequency EPR (HFEPR). The compound shows hard-axis anisotropy. The axial zero-field splitting (ZFS) parameters of the first two spin excited states (S = 1 and S = 2, respectively) are D1 = 1.59(3) cm(-1) or 1.63 cm(-1) (from CTM and HFEPR, respectively) and D2 = 0.37 cm(-1) (from HFEPR). The dipolar contributions to the ZFS of the S = 1 and S = 2 spin states were calculated with the point dipolar approximation. These contributions proved to be less than the combined single-ion contributions. Angular overlap model calculations that used parameters obtained from the electronic absorption spectrum, showed that the unique axis of the single-ion ZFS is at an angle of 19.3(1) degrees with respect to the ring axis. The excellent agreement between the experimental and the theoretical results show the validity of the used methods for the analysis of the magnetic anisotropy in antiferromagnetic CrIII rings.

An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability

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

Bellonzi, Nicole; Jain, Amber; Subotnik, Joseph E.

2016-04-21

We study several recent mean-field semiclassical dynamics methods, focusing on the ability to recover detailed balance for long time (equilibrium) populations. We focus especially on Miller and Cotton’s [J. Phys. Chem. A 117, 7190 (2013)] suggestion to include both zero point electronic energy and windowing on top of Ehrenfest dynamics. We investigate three regimes: harmonic surfaces with weak electronic coupling, harmonic surfaces with strong electronic coupling, and anharmonic surfaces with weak electronic coupling. In most cases, recent additions to Ehrenfest dynamics are a strong improvement upon mean-field theory. However, for methods that include zero point electronic energy, we show thatmore » anharmonic potential energy surfaces often lead to numerical instabilities, as caused by negative populations and forces. We also show that, though the effect of negative forces can appear hidden in harmonic systems, the resulting equilibrium limits do remain dependent on any windowing and zero point energy parameters.« less

Quantized Majorana conductance

NASA Astrophysics Data System (ADS)

Zhang, Hao; Liu, Chun-Xiao; Gazibegovic, Sasa; Xu, Di; Logan, John A.; Wang, Guanzhong; van Loo, Nick; Bommer, Jouri D. S.; de Moor, Michiel W. A.; Car, Diana; Op Het Veld, Roy L. M.; van Veldhoven, Petrus J.; Koelling, Sebastian; Verheijen, Marcel A.; Pendharkar, Mihir; Pennachio, Daniel J.; Shojaei, Borzoyeh; Lee, Joon Sue; Palmstrøm, Chris J.; Bakkers, Erik P. A. M.; Sarma, S. Das; Kouwenhoven, Leo P.

2018-04-01

Majorana zero-modes—a type of localized quasiparticle—hold great promise for topological quantum computing. Tunnelling spectroscopy in electrical transport is the primary tool for identifying the presence of Majorana zero-modes, for instance as a zero-bias peak in differential conductance. The height of the Majorana zero-bias peak is predicted to be quantized at the universal conductance value of 2e2/h at zero temperature (where e is the charge of an electron and h is the Planck constant), as a direct consequence of the famous Majorana symmetry in which a particle is its own antiparticle. The Majorana symmetry protects the quantization against disorder, interactions and variations in the tunnel coupling. Previous experiments, however, have mostly shown zero-bias peaks much smaller than 2e2/h, with a recent observation of a peak height close to 2e2/h. Here we report a quantized conductance plateau at 2e2/h in the zero-bias conductance measured in indium antimonide semiconductor nanowires covered with an aluminium superconducting shell. The height of our zero-bias peak remains constant despite changing parameters such as the magnetic field and tunnel coupling, indicating that it is a quantized conductance plateau. We distinguish this quantized Majorana peak from possible non-Majorana origins by investigating its robustness to electric and magnetic fields as well as its temperature dependence. The observation of a quantized conductance plateau strongly supports the existence of Majorana zero-modes in the system, consequently paving the way for future braiding experiments that could lead to topological quantum computing.

Quantized Majorana conductance.

PubMed

Zhang, Hao; Liu, Chun-Xiao; Gazibegovic, Sasa; Xu, Di; Logan, John A; Wang, Guanzhong; van Loo, Nick; Bommer, Jouri D S; de Moor, Michiel W A; Car, Diana; Op Het Veld, Roy L M; van Veldhoven, Petrus J; Koelling, Sebastian; Verheijen, Marcel A; Pendharkar, Mihir; Pennachio, Daniel J; Shojaei, Borzoyeh; Lee, Joon Sue; Palmstrøm, Chris J; Bakkers, Erik P A M; Sarma, S Das; Kouwenhoven, Leo P

2018-04-05

Majorana zero-modes-a type of localized quasiparticle-hold great promise for topological quantum computing. Tunnelling spectroscopy in electrical transport is the primary tool for identifying the presence of Majorana zero-modes, for instance as a zero-bias peak in differential conductance. The height of the Majorana zero-bias peak is predicted to be quantized at the universal conductance value of 2e 2 /h at zero temperature (where e is the charge of an electron and h is the Planck constant), as a direct consequence of the famous Majorana symmetry in which a particle is its own antiparticle. The Majorana symmetry protects the quantization against disorder, interactions and variations in the tunnel coupling. Previous experiments, however, have mostly shown zero-bias peaks much smaller than 2e 2 /h, with a recent observation of a peak height close to 2e 2 /h. Here we report a quantized conductance plateau at 2e 2 /h in the zero-bias conductance measured in indium antimonide semiconductor nanowires covered with an aluminium superconducting shell. The height of our zero-bias peak remains constant despite changing parameters such as the magnetic field and tunnel coupling, indicating that it is a quantized conductance plateau. We distinguish this quantized Majorana peak from possible non-Majorana origins by investigating its robustness to electric and magnetic fields as well as its temperature dependence. The observation of a quantized conductance plateau strongly supports the existence of Majorana zero-modes in the system, consequently paving the way for future braiding experiments that could lead to topological quantum computing.

Kinetic theory of a two-dimensional magnetized plasma. II - Balescu-Lenard limit.

NASA Technical Reports Server (NTRS)

Vahala, G.

1972-01-01

The kinetic theory of a two-dimensional one-species plasma in a uniform dc magnetic field is investigated in the small plasma parameter limit. The plasma consists of charged rods interacting through the logarithmic Coulomb potential. Vahala and Montgomery earlier (1971) derived a Fokker-Planck equation for this system, but it contained a divergent integral, which had to be cut off on physical grounds. This cutoff is compared to the standard cutoff introduced in the two-dimensional unmagnetized Fokker-Planck equation. In the small plasma parameter limit, it is shown that the Balescu-Lenard collision term is zero in the long time average limit if only two-body interactions are considered. The energy transfer from a test particle to an equilibrium plasma is discussed and is also shown to be zero in the long time average limit. This supports the unexpected result of zero Balescu-Lenard collision term.

Effect of Heteroatoms on Field-Induced Slow Magnetic Relaxation of Mononuclear FeIII ( S = 5/2) Ions within Polyoxometalates.

PubMed

Minato, Takuo; Aravena, Daniel; Ruiz, Eliseo; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke

2018-06-01

In this paper, the synthesis and magnetic properties of mononuclear Fe III -containing polyoxometalates (POMs) with different types of heteroatoms, TBA 7 H 10 [(A-α-XW 9 O 34 ) 2 Fe] (II X , X = Ge, Si; TBA = tetra- n-butylammonium), are reported. In these POMs, mononuclear highly distorted six-coordinate octahedral [FeO 6 ] 9- units are sandwiched by two trivacant lacunary units [A-α-XW 9 O 34 ] 10- (X = Ge, Si). These POMs exhibit field-induced slow magnetic relaxation based on the single high-spin Fe III magnetic center ( S = 5/2). Combining experiment and ab initio calculations, we investigated the effect of heteroatoms of the lacunary units on the field-induced slow magnetic relaxation of these POMs. By changing the heteroatoms from Si (II Si ) to Ge (II Ge ), the coordination geometry around the Fe III ion is mildly changed. Concretely, the axial Fe-O bond length in II Ge is shortened compared with that in II Si , and consequently the distortion of the [FeO 6 ] 9- unit in II Ge from the ideal octahedral coordination geometry becomes larger than that in II Si . The effective demagnetization barrier of II Ge (11.4 K) is slightly larger than that of II Si (9.2 K). Multireference ab initio calculations predict zero-field splitting parameters in good agreement with experiment. Although the differences in the coordination geometries and magnetic properties of II Ge and II Si are quite small, ab initio calculations indicate subtle changes in the magnetic anisotropy which are in line with the observed magnetic relaxation properties.

A new approach to estimate parameters of speciation models with application to apes.

PubMed

Becquet, Celine; Przeworski, Molly

2007-10-01

How populations diverge and give rise to distinct species remains a fundamental question in evolutionary biology, with important implications for a wide range of fields, from conservation genetics to human evolution. A promising approach is to estimate parameters of simple speciation models using polymorphism data from multiple loci. Existing methods, however, make a number of assumptions that severely limit their applicability, notably, no gene flow after the populations split and no intralocus recombination. To overcome these limitations, we developed a new Markov chain Monte Carlo method to estimate parameters of an isolation-migration model. The approach uses summaries of polymorphism data at multiple loci surveyed in a pair of diverging populations or closely related species and, importantly, allows for intralocus recombination. To illustrate its potential, we applied it to extensive polymorphism data from populations and species of apes, whose demographic histories are largely unknown. The isolation-migration model appears to provide a reasonable fit to the data. It suggests that the two chimpanzee species became reproductively isolated in allopatry approximately 850 Kya, while Western and Central chimpanzee populations split approximately 440 Kya but continued to exchange migrants. Similarly, Eastern and Western gorillas and Sumatran and Bornean orangutans appear to have experienced gene flow since their splits approximately 90 and over 250 Kya, respectively.

Complete set of homogeneous isotropic analytic solutions in scalar-tensor cosmology with radiation and curvature

NASA Astrophysics Data System (ADS)

Bars, Itzhak; Chen, Shih-Hung; Steinhardt, Paul J.; Turok, Neil

2012-10-01

We study a model of a scalar field minimally coupled to gravity, with a specific potential energy for the scalar field, and include curvature and radiation as two additional parameters. Our goal is to obtain analytically the complete set of configurations of a homogeneous and isotropic universe as a function of time. This leads to a geodesically complete description of the Universe, including the passage through the cosmological singularities, at the classical level. We give all the solutions analytically without any restrictions on the parameter space of the model or initial values of the fields. We find that for generic solutions the Universe goes through a singular (zero-size) bounce by entering a period of antigravity at each big crunch and exiting from it at the following big bang. This happens cyclically again and again without violating the null-energy condition. There is a special subset of geodesically complete nongeneric solutions which perform zero-size bounces without ever entering the antigravity regime in all cycles. For these, initial values of the fields are synchronized and quantized but the parameters of the model are not restricted. There is also a subset of spatial curvature-induced solutions that have finite-size bounces in the gravity regime and never enter the antigravity phase. These exist only within a small continuous domain of parameter space without fine-tuning the initial conditions. To obtain these results, we identified 25 regions of a 6-parameter space in which the complete set of analytic solutions are explicitly obtained.

Seismic anisotropy beneath the southeastern margin of the Tibetan Plateau and adjacent regions revealed by shear-wave splitting analyses

NASA Astrophysics Data System (ADS)

Gao, S. S.; Kong, F.; Wu, J.; Liu, L.; Liu, K. H.

2017-12-01

Seismic azimuthal anisotropy is measured at 83 stations situated at the southeastern margin of the Tibetan Plateau and adjacent regions based on shear-wave splitting analyses. A total of 1701 individual pairs of splitting parameters (fast polarization orientations and splitting delay times) are obtained using the PKS, SKKS, and SKS phases. The splitting parameters from 21 stations exhibit systematic back-azimuthal variations with a 90° periodicity, which is consistent with a two-layer anisotropy model. The resulting upper-layer splitting parameters computed based on a grid-search algorithm are comparable with crustal anisotropy measurements obtained independently based on the sinusoidal moveout of P-to-S conversions from the Moho. The fast orientations of the upper layer anisotropy, which is mostly parallel with major shear zones, are associated with crustal fabrics with a vertical foliation plane. The lower layer anisotropy and the station averaged splitting parameters at stations with azimuthally invariant splitting parameters can be adequately explained by the differential movement between the lithosphere and asthenosphere. The NW-SE fast orientations obtained in the northern part of the study area probably reflect the southeastward extruded mantle flow from central Tibet. In contrast, the NE-SW to E-W fast orientations observed in the southern part of the study area are most likely related to the northeastward to eastward mantle flow induced by the subduction of the Burma microplate.

Tillage, Mulch and N Fertilizer Affect Emissions of CO2 under the Rain Fed Condition

PubMed Central

Tanveer, Sikander Khan; Wen, Xiaoxia; Lu, Xing Li; Zhang, Junli; Liao, Yuncheng

2013-01-01

A two year (2010–2012) study was conducted to assess the effects of different agronomic management practices on the emissions of CO2 from a field of non-irrigated wheat planted on China's Loess Plateau. Management practices included four tillage methods i.e. T1: (chisel plow tillage), T2: (zero-tillage), T3: (rotary tillage) and T4: (mold board plow tillage), 2 mulch levels i.e., M0 (no corn residue mulch) and M1 (application of corn residue mulch) and 5 levels of N fertilizer (0, 80, 160, 240, 320 kg N/ha). A factorial experiment having a strip split-split arrangement, with tillage methods in the main plots, mulch levels in the sub plots and N-fertilizer levels in the sub-sub plots with three replicates, was used for this study. The CO2 data were recorded three times per week using a portable GXH-3010E1 gas analyzer. The highest CO2 emissions were recorded following rotary tillage, compared to the lowest emissions from the zero tillage planting method. The lowest emissions were recorded at the 160 kg N/ha, fertilizer level. Higher CO2 emissions were recorded during the cropping year 2010–11 relative to the year 2011–12. During cropping year 2010–11, applications of corn residue mulch significantly increased CO2 emissions in comparison to the non-mulched treatments, and during the year 2011–12, equal emissions were recorded for both types of mulch treatments. Higher CO2 emissions were recorded immediately after the tillage operations. Different environmental factors, i.e., rain, air temperatures, soil temperatures and soil moistures, had significant effects on the CO2 emissions. We conclude that conservation tillage practices, i.e., zero tillage, the use of corn residue mulch and optimum N fertilizer use, can reduce CO2 emissions, give better yields and provide environmentally friendly options. PMID:24086256

A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system.

PubMed

Wang, Han; Nakamura, Haruki; Fukuda, Ikuo

2016-03-21

We performed extensive and strict tests for the reliability of the zero-multipole (summation) method (ZMM), which is a method for estimating the electrostatic interactions among charged particles in a classical physical system, by investigating a set of various physical quantities. This set covers a broad range of water properties, including the thermodynamic properties (pressure, excess chemical potential, constant volume/pressure heat capacity, isothermal compressibility, and thermal expansion coefficient), dielectric properties (dielectric constant and Kirkwood-G factor), dynamical properties (diffusion constant and viscosity), and the structural property (radial distribution function). We selected a bulk water system, the most important solvent, and applied the widely used TIP3P model to this test. In result, the ZMM works well for almost all cases, compared with the smooth particle mesh Ewald (SPME) method that was carefully optimized. In particular, at cut-off radius of 1.2 nm, the recommended choices of ZMM parameters for the TIP3P system are α ≤ 1 nm(-1) for the splitting parameter and l = 2 or l = 3 for the order of the multipole moment. We discussed the origin of the deviations of the ZMM and found that they are intimately related to the deviations of the equilibrated densities between the ZMM and SPME, while the magnitude of the density deviations is very small.

Better Than Nothing: A Rational Approach for Minimizing the Impact of Outflow Strategy on Cerebrovascular Simulations.

PubMed

Chnafa, C; Brina, O; Pereira, V M; Steinman, D A

2018-02-01

Computational fluid dynamics simulations of neurovascular diseases are impacted by various modeling assumptions and uncertainties, including outlet boundary conditions. Many studies of intracranial aneurysms, for example, assume zero pressure at all outlets, often the default ("do-nothing") strategy, with no physiological basis. Others divide outflow according to the outlet diameters cubed, nominally based on the more physiological Murray's law but still susceptible to subjective choices about the segmented model extent. Here we demonstrate the limitations and impact of these outflow strategies, against a novel "splitting" method introduced here. With our method, the segmented lumen is split into its constituent bifurcations, where flow divisions are estimated locally using a power law. Together these provide the global outflow rate boundary conditions. The impact of outflow strategy on flow rates was tested for 70 cases of MCA aneurysm with 0D simulations. The impact on hemodynamic indices used for rupture status assessment was tested for 10 cases with 3D simulations. Differences in flow rates among the various strategies were up to 70%, with a non-negligible impact on average and oscillatory wall shear stresses in some cases. Murray-law and splitting methods gave flow rates closest to physiological values reported in the literature; however, only the splitting method was insensitive to arbitrary truncation of the model extent. Cerebrovascular simulations can depend strongly on the outflow strategy. The default zero-pressure method should be avoided in favor of Murray-law or splitting methods, the latter being released as an open-source tool to encourage the standardization of outflow strategies. © 2018 by American Journal of Neuroradiology.

Ballistic Majorana nanowire devices

NASA Astrophysics Data System (ADS)

Gül, Ã.-nder; Zhang, Hao; Bommer, Jouri D. S.; de Moor, Michiel W. A.; Car, Diana; Plissard, Sébastien R.; Bakkers, Erik P. A. M.; Geresdi, Attila; Watanabe, Kenji; Taniguchi, Takashi; Kouwenhoven, Leo P.

2018-01-01

Majorana modes are zero-energy excitations of a topological superconductor that exhibit non-Abelian statistics1-3. Following proposals for their detection in a semiconductor nanowire coupled to an s-wave superconductor4,5, several tunnelling experiments reported characteristic Majorana signatures6-11. Reducing disorder has been a prime challenge for these experiments because disorder can mimic the zero-energy signatures of Majoranas12-16, and renders the topological properties inaccessible17-20. Here, we show characteristic Majorana signatures in InSb nanowire devices exhibiting clear ballistic transport properties. Application of a magnetic field and spatial control of carrier density using local gates generates a zero bias peak that is rigid over a large region in the parameter space of chemical potential, Zeeman energy and tunnel barrier potential. The reduction of disorder allows us to resolve separate regions in the parameter space with and without a zero bias peak, indicating topologically distinct phases. These observations are consistent with the Majorana theory in a ballistic system21, and exclude the known alternative explanations that invoke disorder12-16 or a nonuniform chemical potential22,23.

Contribution functions for Zeeman-split lines, and line formation in photospheric faculae

NASA Technical Reports Server (NTRS)

Vanballegooijen, A. A.

1985-01-01

The transfer of polarized light in an inhomogeneous stellar atmosphere, and the formation of magnetically sensitive spectral lines, are discussed. A new method for the solution of the transfer equations is proposed. The method gives a natural definition of the contribution functions for Stokes' parameters, i.e., functions describing the contributions from different parts along the line-of-sight (LOS). The formalism includes all magneto-optical effects, and allows for an arbitrary variation of magnetic field, velocity field, temperature, density, etc., along the LOS. The formation of FeI lambda 5250.2 in photospheric faculae is described. A potential-field model of a facular element is presented, and spectra profiles and contribution functions are computed for the Stokes parameters I, Q, and V.

Split Dirac cones in HgTe/CdTe quantum wells due to symmetry-enforced level anticrossing at interfaces

NASA Astrophysics Data System (ADS)

Tarasenko, S. A.; Durnev, M. V.; Nestoklon, M. O.; Ivchenko, E. L.; Luo, Jun-Wei; Zunger, Alex

2015-02-01

HgTe is a band-inverted compound which forms a two-dimensional topological insulator if sandwiched between CdTe barriers for a HgTe layer thickness above the critical value. We describe the fine structure of Dirac states in the HgTe/CdTe quantum wells of critical and close-to-critical thicknesses and show that the necessary creation of interfaces brings in another important physical effect: the opening of a significant anticrossing gap between the tips of the Dirac cones. The level repulsion driven by the natural interface inversion asymmetry of zinc-blende heterostructures considerably modifies the electron states and dispersion but preserves the topological transition at the critical thickness. By combining symmetry analysis, atomistic calculations, and extended k .p theory with interface terms, we obtain a quantitative description of the energy spectrum and extract the interface mixing coefficient. We discuss how the fingerprints of the predicted zero-magnetic-field splitting of the Dirac cones could be detected experimentally by studying magnetotransport phenomena, cyclotron resonance, Raman scattering, and THz radiation absorption.

Application of kinetic flux vector splitting scheme for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

In this article, one and two-dimensional hydrodynamical models of semiconductor devices are numerically investigated. The models treat the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. Mathematically, the governing equations form a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as low field mobility, device length, lattice temperature and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations. A two dimensional simulation is also performed by KFVS method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

A Memory of Majorana Modes through Quantum Quench.

PubMed

Chung, Ming-Chiang; Jhu, Yi-Hao; Chen, Pochung; Mou, Chung-Yu; Wan, Xin

2016-07-08

We study the sudden quench of a one-dimensional p-wave superconductor through its topological signature in the entanglement spectrum. We show that the long-time evolution of the system and its topological characterization depend on a pseudomagnetic field Reff(k). Furthermore, Reff(k) connects both the initial and the final Hamiltonians, hence exhibiting a memory effect. In particular, we explore the robustness of the Majorana zero-mode and identify the parameter space in which the Majorana zero-mode can revive in the infinite-time limit.

Phosphorescence/microwave double-resonance spectra of tryptophan perturbed by methylmercury(II).

PubMed Central

Davis, J M; Maki, A H

1982-01-01

Amplitude-modulated phosphorescence/microwave double-resonance (AM-PMDR) spectra are reported for complexes of methylmercury(II) cation, designated CH3Hg(II), with tryptophan and glyceraldehyde-3-phosphate dehydrogenase (GPDHase; from rabbit muscle). Wavelength shifts are observed in the AM-PMDR spectra of CH3Hg(II)-tryptophan, which are obtained by microwave pumping in distinct zero-field D + E magnetic resonance transitions, demonstrating that AM-PMDR can be used to display selectively the phosphorescence spectra of structurally distinct complexes with different zero-field splittings. The AM-PMDR spectra accurately represent the phosphorescence of CH3Hg(II)-tryptophan. Binding of CH3Hg(II) to a cysteine site of GDPHase perturbs the luminescence of one of the two optically resolved tryptophan. The AM-PMDR spectrum of the perturbed tryptophan is obtained by microwave pumping of the D + E magnetic resonance signal, which can be observed optically only in the presence of a heavy atom perturbation. The resulting spectrum is broadened and shifted to the blue relative to the corresponding tryptophan phosphorescence spectrum of the uncomplexed enzyme. Comparison of the AM-PMDR spectra of CH3Hg(II)-tryptophan and CH3Hg(II)-GPDHase suggests that there are differences in the mechanisms of heavy atom perturbation in these complexes. PMID:6956860

Resonant optical spectroscopy and coherent control of C r4 + spin ensembles in SiC and GaN

NASA Astrophysics Data System (ADS)

Koehl, William F.; Diler, Berk; Whiteley, Samuel J.; Bourassa, Alexandre; Son, N. T.; Janzén, Erik; Awschalom, David D.

2017-01-01

Spins bound to point defects are increasingly viewed as an important resource for solid-state implementations of quantum information and spintronic technologies. In particular, there is a growing interest in the identification of new classes of defect spin that can be controlled optically. Here, we demonstrate ensemble optical spin polarization and optically detected magnetic resonance (ODMR) of the S = 1 electronic ground state of chromium (C r4 + ) impurities in silicon carbide (SiC) and gallium nitride (GaN). Spin polarization is made possible by the narrow optical linewidths of these ensembles (<8.5 GHz), which are similar in magnitude to the ground state zero-field spin splitting energies of the ions at liquid helium temperatures. This allows us to optically resolve individual spin sublevels within the ensembles at low magnetic fields using resonant excitation from a cavity-stabilized, narrow-linewidth laser. Additionally, these near-infrared emitters possess exceptionally weak phonon sidebands, ensuring that >73% of the overall optical emission is contained with the defects' zero-phonon lines. These characteristics make this semiconductor-based, transition metal impurity system a promising target for further study in the ongoing effort to integrate optically active quantum states within common optoelectronic materials.

Resonant optical spectroscopy and coherent control of C r 4 + spin ensembles in SiC and GaN

DOE PAGES

Koehl, William F.; Diler, Berk; Whiteley, Samuel J.; ...

2017-01-15

Spins bound to point defects are increasingly viewed as an important resource for solid-state implementations of quantum information technologies. In particular, there is a growing interest in the identification of new classes of defect spin that can be controlled optically. Here we demonstrate ensemble optical spin polarization and optically detected magnetic resonance (ODMR) of the S = 1 electronic ground state of chromium (Cr 4+) impurities in silicon carbide (SiC) and gallium nitride (GaN). Polarization is made possible by the narrow optical linewidths of these ensembles (< 8.5 GHz), which are similar in magnitude to the ground state zero-field spinmore » splitting energies of the ions at liquid helium temperatures. We therefore are able to optically resolve individual spin sublevels within the ensembles at low magnetic fields using resonant excitation from a cavity-stabilized, narrow-linewidth laser. Additionally, these near-infrared emitters possess exceptionally weak phonon sidebands, ensuring that > 73% of the overall optical emission is contained with the defects’ zero-phonon lines. Lastly, these characteristics make this semiconductor-based, transition metal impurity system a promising target for further study in the ongoing effort to integrate optically active quantum states within common optoelectronic materials.« less

Effects of axial magnetic field on the electronic and optical properties of boron nitride nanotube

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2011-07-01

The splitting of band structure and absorption spectrum, for boron nitride nanotubes (BNNTs) under axial magnetic field, is studied using the tight binding approximation. It is found that the band splitting ( ΔE) at the Γ point is linearly proportional to the magnetic field ( Φ/Φ0). Our results indicate that the splitting rate νii, of the two first bands nearest to the Fermi level, is a linear function of n -2 for all (n,0) zigzag BNNTs. By investigation of the dependence of band structure and absorption spectrum to the magnetic field, we found that absorption splitting is equal to band splitting and the splitting rate of band structure can be used to determine the splitting rate of the absorption spectrum.

Chiral solitons in spinor polariton rings

NASA Astrophysics Data System (ADS)

Zezyulin, D. A.; Gulevich, D. R.; Skryabin, D. V.; Shelykh, I. A.

2018-04-01

We consider theoretically one-dimensional polariton ring accounting for both longitudinal-transverse (TE-TM) and Zeeman splittings of spinor polariton states and spin-dependent polariton-polariton interactions. We present a class of solutions in the form of the localized defects rotating with constant angular velocity and analyze their properties for realistic values of the parameters of the system. We show that the effects of the geometric phase arising from the interplay between the external magnetic field and the TE-TM splitting introduce chirality in the system and make solitons propagating in clockwise and anticlockwise directions nonequivalent. This can be interpreted as a solitonic analog of the Aharonov-Bohm effect.

Boundary conditions, dimensionality, topology and size dependence of the superconducting transition temperature

NASA Astrophysics Data System (ADS)

Fink, Herman J.; Haley, Stephen B.; Giuraniuc, Claudiu V.; Kozhevnikov, Vladimir F.; Indekeu, Joseph O.

2005-11-01

For various sample geometries (slabs, cylinders, spheres, hypercubes), de Gennes' boundary condition parameter b is used to study its effect upon the transition temperature Tc of a superconductor. For b > 0 the order parameter at the surface is decreased, and as a consequence Tc is reduced, while for b < 0 the order parameter at the surface is increased, thereby enhancing Tc of a specimen in zero magnetic field. Exact solutions, derived by Fink and Haley (Int. J. mod. Phys. B, 17, 2171 (2003)), of the order parameter of a slab of finite thickness as a function of temperature are presented, both for reduced and enhanced transition (nucleation) temperatures. At the nucleation temperature the order parameter approaches zero. This concise review closes with a link established between de Gennes' microscopic boundary condition and the Ginzburg-Landau phenomenological approach, and a discussion of some relevant experiments. For example, applying the boundary condition with b < 0 to tin whiskers elucidates the increase of Tc with strain.

Constraints on texture zero and cofactor zero models for neutrino mass

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

Whisnant, K.; Liao, Jiajun; Marfatia, D.

2014-06-24

Imposing a texture or cofactor zero on the neutrino mass matrix reduces the number of independent parameters from nine to seven. Since five parameters have been measured, only two independent parameters would remain in such models. We find the allowed regions for single texture zero and single cofactor zero models. We also find strong similarities between single texture zero models with one mass hierarchy and single cofactor zero models with the opposite mass hierarchy. We show that this correspondence can be generalized to texture-zero and cofactor-zero models with the same homogeneous costraints on the elements and cofactors.

Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo).

PubMed

Sugisaki, Kenji; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2017-11-15

Spin-orbit contributions to the zero-field splitting (ZFS) tensor (D SO tensor) of M III (acac) 3 complexes (M = V, Cr, Mn, Fe and Mo; acac = acetylacetonate anion) are evaluated by means of ab initio (a hybrid CASSCF/MRMP2) and DFT (Pederson-Khanna (PK) and natural orbital-based Pederson-Khanna (NOB-PK)) methods, focusing on the behaviour of DFT-based approaches to the D SO tensors against the valence d-electron configurations of the transition metal ions in octahedral coordination. Both the DFT-based approaches reproduce trends in the D tensors. Significantly, the differences between the theoretical and experimental D (D = D ZZ - (D XX + D YY )/2) values are smaller in NOB-PK than in PK, emphasising the usefulness of the natural orbital-based approach to the D tensor calculations of transition metal ion complexes. In the case of d 2 and d 4 electronic configurations, the D SO (NOB-PK) values are considerably underestimated in the absolute magnitude, compared with the experimental ones. The D SO tensor analysis based on the orbital region partitioning technique (ORPT) revealed that the D SO contributions attributed to excitations from the singly occupied region (SOR) to the unoccupied region (UOR) are significantly underestimated in the DFT-based approaches to all the complexes under study. In the case of d 3 and d 5 configurations, the (SOR → UOR) excitations contribute in a nearly isotropic manner, which causes fortuitous error cancellations in the DFT-based D SO values. These results indicate that more efforts to develop DFT frameworks should be directed towards the reproduction of quantitative D SO tensors of transition metal complexes with various electronic configurations and local symmetries around metal ions.

Quantum-Chemical Approach to NMR Chemical Shifts in Paramagnetic Solids Applied to LiFePO4 and LiCoPO4.

PubMed

Mondal, Arobendo; Kaupp, Martin

2018-04-05

A novel protocol to compute and analyze NMR chemical shifts for extended paramagnetic solids, accounting comprehensively for Fermi-contact (FC), pseudocontact (PC), and orbital shifts, is reported and applied to the important lithium ion battery cathode materials LiFePO 4 and LiCoPO 4 . Using an EPR-parameter-based ansatz, the approach combines periodic (hybrid) DFT computation of hyperfine and orbital-shielding tensors with an incremental cluster model for g- and zero-field-splitting (ZFS) D-tensors. The cluster model allows the use of advanced multireference wave function methods (such as CASSCF or NEVPT2). Application of this protocol shows that the 7 Li shifts in the high-voltage cathode material LiCoPO 4 are dominated by spin-orbit-induced PC contributions, in contrast with previous assumptions, fundamentally changing interpretations of the shifts in terms of covalency. PC contributions are smaller for the 7 Li shifts of the related LiFePO 4 , where FC and orbital shifts dominate. The 31 P shifts of both materials finally are almost pure FC shifts. Nevertheless, large ZFS contributions can give rise to non-Curie temperature dependences for both 7 Li and 31 P shifts.

Joint analysis of ESR lineshapes and 1H NMRD profiles of DOTA-Gd derivatives by means of the slow motion theory

NASA Astrophysics Data System (ADS)

Kruk, D.; Kowalewski, J.; Tipikin, D. S.; Freed, J. H.; Mościcki, M.; Mielczarek, A.; Port, M.

2011-01-01

The "Swedish slow motion theory" [Nilsson and Kowalewski, J. Magn. Reson. 146, 345 (2000)] applied so far to Nuclear Magnetic Relaxation Dispersion (NMRD) profiles for solutions of transition metal ion complexes has been extended to ESR spectral analysis, including in addition g-tensor anisotropy effects. The extended theory has been applied to interpret in a consistent way (within one set of parameters) NMRD profiles and ESR spectra at 95 and 237 GHz for two Gd(III) complexes denoted as P760 and P792 (hydrophilic derivatives of DOTA-Gd, with molecular masses of 5.6 and 6.5 kDa, respectively). The goal is to verify the applicability of the commonly used pseudorotational model of the transient zero field splitting (ZFS). According to this model the transient ZFS is described by a tensor of a constant amplitude, defined in its own principal axes system, which changes its orientation with respect to the laboratory frame according to the isotropic diffusion equation with a characteristic time constant (correlation time) reflecting the time scale of the distortional motion. This unified interpretation of the ESR and NMRD leads to reasonable agreement with the experimental data, indicating that the pseudorotational model indeed captures the essential features of the electron spin dynamics.

Gd(III) complexes for electron-electron dipolar spectroscopy: Effects of deuteration, pH and zero field splitting.

PubMed

Garbuio, Luca; Zimmermann, Kaspar; Häussinger, Daniel; Yulikov, Maxim

2015-10-01

Spectral parameters of Gd(III) complexes are intimately linked to the performance of the Gd(III)-nitroxide or Gd(III)-Gd(III) double electron-electron resonance (DEER or PELDOR) techniques, as well as to that of relaxation induced dipolar modulation enhancement (RIDME) spectroscopy with Gd(III) ions. These techniques are of interest for applications in structural biology, since they can selectively detect site-to-site distances in biomolecules or biomolecular complexes in the nanometer range. Here we report relaxation properties, echo detected EPR spectra, as well as the magnitude of the echo reduction effect in Gd(III)-nitroxide DEER for a series of Gadolinium(III) complexes with chelating agents derived from tetraazacyclododecane. We observed that solvent deuteration does not only lengthen the relaxation times of Gd(III) centers but also weakens the DEER echo reduction effect. Both of these phenomena lead to an improved signal-to-noise ratios or, alternatively, longer accessible distance range in pulse EPR measurements. The presented data enrich the knowledge on paramagnetic Gd(III) chelate complexes in frozen solutions, and can help optimize the experimental conditions for most types of the pulse measurements of the electron-electron dipolar interactions. Copyright © 2015 Elsevier Inc. All rights reserved.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

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

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Estimation of inflation parameters for Perturbed Power Law model using recent CMB measurements

NASA Astrophysics Data System (ADS)

Mukherjee, Suvodip; Das, Santanu; Joy, Minu; Souradeep, Tarun

2015-01-01

Cosmic Microwave Background (CMB) is an important probe for understanding the inflationary era of the Universe. We consider the Perturbed Power Law (PPL) model of inflation which is a soft deviation from Power Law (PL) inflationary model. This model captures the effect of higher order derivative of Hubble parameter during inflation, which in turn leads to a non-zero effective mass meff for the inflaton field. The higher order derivatives of Hubble parameter at leading order sources constant difference in the spectral index for scalar and tensor perturbation going beyond PL model of inflation. PPL model have two observable independent parameters, namely spectral index for tensor perturbation νt and change in spectral index for scalar perturbation νst to explain the observed features in the scalar and tensor power spectrum of perturbation. From the recent measurements of CMB power spectra by WMAP, Planck and BICEP-2 for temperature and polarization, we estimate the feasibility of PPL model with standard ΛCDM model. Although BICEP-2 claimed a detection of r=0.2, estimates of dust contamination provided by Planck have left open the possibility that only upper bound on r will be expected in a joint analysis. As a result we consider different upper bounds on the value of r and show that PPL model can explain a lower value of tensor to scalar ratio (r<0.1 or r<0.01) for a scalar spectral index of ns=0.96 by having a non-zero value of effective mass of the inflaton field m2eff/H2. The analysis with WP + Planck likelihood shows a non-zero detection of m2eff/H2 with 5.7 σ and 8.1 σ respectively for r<0.1 and r<0.01. Whereas, with BICEP-2 likelihood m2eff/H2 = -0.0237 ± 0.0135 which is consistent with zero.

Two-step transition in a magnetoelectric ferrimagnet Cu2OSeO3

NASA Astrophysics Data System (ADS)

Živković, I.; Pajić, D.; Ivek, T.; Berger, H.

2012-06-01

We report a detailed single-crystal investigation of a magnetoelectric ferrimagnet Cu2OSeO3 using dc magnetization and ac susceptibility along the three principal directions [100], [110], and [111]. We have observed that in small magnetic fields two magnetic transitions occur, one at Tc=57 K and the second one at TN=58 K. At Tc the nonlinear susceptibility reveals the emergence of the ferromagnetic component and below Tc the magnetization measurements show the splitting between field-cooled and zero-field-cooled regimes. Above 1000 Oe the magnetization saturates and the system is in a single domain state. The temperature dependence of the saturation below Tc can be well described by μ(T)=μ(0)[1-(T/Tc)2]β, with μ(0)=0.56μB/Cu, corresponding to the 3-up-1-down configuration. The dielectric constant measured on a thin single crystal shows a systematic deviation below the transition, indicating an intrinsic magnetoelectric effect.

Rotationally Vibrating Electric-Field Mill

NASA Technical Reports Server (NTRS)

Kirkham, Harold

2008-01-01

A proposed instrument for measuring a static electric field would be based partly on a conventional rotating-split-cylinder or rotating-split-sphere electric-field mill. However, the design of the proposed instrument would overcome the difficulty, encountered in conventional rotational field mills, of transferring measurement signals and power via either electrical or fiber-optic rotary couplings that must be aligned and installed in conjunction with rotary bearings. Instead of being made to rotate in one direction at a steady speed as in a conventional rotational field mill, a split-cylinder or split-sphere electrode assembly in the proposed instrument would be set into rotational vibration like that of a metronome. The rotational vibration, synchronized with appropriate rapid electronic switching of electrical connections between electric-current-measuring circuitry and the split-cylinder or split-sphere electrodes, would result in an electrical measurement effect equivalent to that of a conventional rotational field mill. A version of the proposed instrument is described.

Donor Magneto-Spectroscopy and Magnetic Field - Metal-Insulator Transition in MERCURY(1-X) Cadmium(x)tellurium and Indium Antimonide

NASA Astrophysics Data System (ADS)

Choi, Jung Bum

Far infrared (FIR) magneto-transmission studies of n-type Hg_{1-x}Cd _{x}Te (x = 0.198, 0.204, 0.224, 0.237, 0.270) for temperatures down to 1.5K and magnetic fields up to 9T in Voigt and Faraday geometries have been performed. Magneto-optical transitions of donor bound electrons are observed; including the (000) --> (001) and (010) --> (01k_{z}) in the Voigt geometry, and the (000) --> (110) in the Faraday geometry. These identifications are confirmed by their resonance positions, selection rules, and temperature dependence. The experimental observations are consistent with calculations of resonance positions and lineshapes based on the hydrogenic donor model including central cell effects. This work confirms the donor bound electronic ground state for Hg_{1-x}Cd_{x} Te. The magneto-transport and FIR spectroscopy have been combined to probe the nature of the impurity band in the vicinity of the magnetic field induced metal-insulator transition. The results obtained in Hg_ {1-x}Cd_{x}Te and InSb show the persistance of the (000) --> (110) impurity transition through the metal-insulator critical field. This observation demonstrates the existence of the metallic impurity band which is split off from the conduction band. In the studies of the critical behavior of InSb, the conductivity measured for temperatures down to 0.45K shows a dominant linear dependence on temperature near the transition field. Furthermore, the zero-temperature extrapolated conductivity was found to drop continuously to zero at the transition field with a critical exponent of nu = 1.07 +/- 0.07.

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

PubMed

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

2009-08-21

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

Imparting small vorticity to a Bianchi type-VIh empty spacetime

NASA Astrophysics Data System (ADS)

Batakis, Nikos A.

1981-04-01

We present and briefly discuss a Bianchi type-VIh empty spacetime. The field equations have been solved after being linearized with respect to a parameter which imparts vorticity to the model. The limit of zero vorticity is an already known solution.

Two-dimensional Topology of the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Hoyle, Fiona; Vogeley, Michael S.; Gott, J. Richard, III; Blanton, Michael; Tegmark, Max; Weinberg, David H.; Bahcall, N.; Brinkmann, J.; York, D.

2002-12-01

We present the topology of a volume-limited sample of 11,884 galaxies, selected from an apparent magnitude limited sample of over 100,000 galaxies observed as part of the Sloan Digital Sky Survey (SDSS). The data currently cover three main regions on the sky: one in the Galactic north and one in the south, both at zero degrees declination, and one area in the north at higher declination. Each of these areas covers a wide range of survey longitude but a narrow range of survey latitude, allowing the two-dimensional genus to be measured. The genus curves of the SDSS subsamples are similar, after appropriately normalizing these measurements for the different areas. We sum the genus curves from the three areas to obtain the total genus curve of the SDSS. The total curve has a shape similar to the genus curve derived from mock catalogs drawn from the Hubble volume ΛCDM simulation and is similar to that of a Gaussian random field. Likewise, comparison with the genus of the Two-Degree Field Galaxy Redshift Survey, after normalization for the difference in area, reveals remarkable similarity in the topology of these samples. We test for the effects of galaxy-type segregation by splitting the SDSS data into thirds, based on the u*-r* colors of the galaxies, and measure the genus of the reddest and bluest subsamples. This red/blue split in u*-r* is essentially a split by morphology, as explained by Strateva and coworkers. We find that the genus curve for the reddest galaxies exhibits a ``meatball'' shift of the topology-reflecting the concentration of red galaxies in high-density regions-compared to the bluest galaxies and the full sample, in agreement with predictions from simulations.

Numerical flux formulas for the Euler and Navier-Stokes equations. 2: Progress in flux-vector splitting

NASA Technical Reports Server (NTRS)

Coirier, William J.; Vanleer, Bram

1991-01-01

The accuracy of various numerical flux functions for the inviscid fluxes when used for Navier-Stokes computations is studied. The flux functions are benchmarked for solutions of the viscous, hypersonic flow past a 10 degree cone at zero angle of attack using first order, upwind spatial differencing. The Harten-Lax/Roe flux is found to give a good boundary layer representation, although its robustness is an issue. Some hybrid flux formulas, where the concepts of flux-vector and flux-difference splitting are combined, are shown to give unsatisfactory pressure distributions; there is still room for improvement. Investigations of low diffusion, pure flux-vector splittings indicate that a pure flux-vector splitting can be developed that eliminates spurious diffusion across the boundary layer. The resulting first-order scheme is marginally stable and not monotone.

Observation of the hyperfine spectrum of antihydrogen.

PubMed

Ahmadi, M; Alves, B X R; Baker, C J; Bertsche, W; Butler, E; Capra, A; Carruth, C; Cesar, C L; Charlton, M; Cohen, S; Collister, R; Eriksson, S; Evans, A; Evetts, N; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Isaac, C A; Ishida, A; Johnson, M A; Jones, S A; Jonsell, S; Kurchaninov, L; Madsen, N; Mathers, M; Maxwell, D; McKenna, J T K; Menary, S; Michan, J M; Momose, T; Munich, J J; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sacramento, R L; Sameed, M; Sarid, E; Silveira, D M; Stracka, S; Stutter, G; So, C; Tharp, T D; Thompson, J E; Thompson, R I; van der Werf, D P; Wurtele, J S

2017-08-02

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 10 13 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger's relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen-the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 10 4 . This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Observation of the hyperfine spectrum of antihydrogen

NASA Astrophysics Data System (ADS)

Ahmadi, M.; Alves, B. X. R.; Baker, C. J.; Bertsche, W.; Butler, E.; Capra, A.; Carruth, C.; Cesar, C. L.; Charlton, M.; Cohen, S.; Collister, R.; Eriksson, S.; Evans, A.; Evetts, N.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Isaac, C. A.; Ishida, A.; Johnson, M. A.; Jones, S. A.; Jonsell, S.; Kurchaninov, L.; Madsen, N.; Mathers, M.; Maxwell, D.; McKenna, J. T. K.; Menary, S.; Michan, J. M.; Momose, T.; Munich, J. J.; Nolan, P.; Olchanski, K.; Olin, A.; Pusa, P.; Rasmussen, C. Ø.; Robicheaux, F.; Sacramento, R. L.; Sameed, M.; Sarid, E.; Silveira, D. M.; Stracka, S.; Stutter, G.; So, C.; Tharp, T. D.; Thompson, J. E.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.

2017-08-01

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 1013 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger’s relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen—the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 104. This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Computed inverse resonance imaging for magnetic susceptibility map reconstruction.

PubMed

Chen, Zikuan; Calhoun, Vince

2012-01-01

This article reports a computed inverse magnetic resonance imaging (CIMRI) model for reconstructing the magnetic susceptibility source from MRI data using a 2-step computational approach. The forward T2*-weighted MRI (T2*MRI) process is broken down into 2 steps: (1) from magnetic susceptibility source to field map establishment via magnetization in the main field and (2) from field map to MR image formation by intravoxel dephasing average. The proposed CIMRI model includes 2 inverse steps to reverse the T2*MRI procedure: field map calculation from MR-phase image and susceptibility source calculation from the field map. The inverse step from field map to susceptibility map is a 3-dimensional ill-posed deconvolution problem, which can be solved with 3 kinds of approaches: the Tikhonov-regularized matrix inverse, inverse filtering with a truncated filter, and total variation (TV) iteration. By numerical simulation, we validate the CIMRI model by comparing the reconstructed susceptibility maps for a predefined susceptibility source. Numerical simulations of CIMRI show that the split Bregman TV iteration solver can reconstruct the susceptibility map from an MR-phase image with high fidelity (spatial correlation ≈ 0.99). The split Bregman TV iteration solver includes noise reduction, edge preservation, and image energy conservation. For applications to brain susceptibility reconstruction, it is important to calibrate the TV iteration program by selecting suitable values of the regularization parameter. The proposed CIMRI model can reconstruct the magnetic susceptibility source of T2*MRI by 2 computational steps: calculating the field map from the phase image and reconstructing the susceptibility map from the field map. The crux of CIMRI lies in an ill-posed 3-dimensional deconvolution problem, which can be effectively solved by the split Bregman TV iteration algorithm.

Temperature dependence of the A, B, and C excitons in ZnO over 5-400 K: A modulated reflectivity study.

NASA Astrophysics Data System (ADS)

Tsoi, S.; Cardona, M.; Lauck, R.; Alawadhi, H.; Lu, X.; Grimsditch, M.; Ramdas, A. K.

2005-03-01

Optical properties of ZnO, a wide gap semiconductor with wurtzite structure, have generated renewed interest in the material in the context of opto-electronic phenomena and applications. The A, B, and C excitons of ZnO, arising from the combined effects of crystal field and spin-orbit splittings of the valence band, are investigated in the temperature range 5- 400 K, exploiting electro-, photo-, and wavelength-modulated reflectivity. The specimens studied have natural isotopic composition. The temperature dependence of the A, B, and C excitonic band gaps, fitted with a two harmonic oscillator modelootnotetextM. Cardona, Phys. Status. Solidi b 220, 5 (2000); R. Pä'ssler, J. Appl. Phys. 89, 6235 (2001) following Manj'on et al.ootnotetextF. J. Manj'on et al., Solid State Commun. 128, 35 (2003), yields the magnitudes of the zero-point renormalizations 262 meV (A), 227 meV (B), and 249 meV (C), respectively. Isotopically controlled ZnO is currently being investigated to determine the isotopic mass dependence of the zero-point renormalizations.

Strain broadening of the 1042-nm zero phonon line of the NV- center in diamond: A promising spectroscopic tool for defect tomography

NASA Astrophysics Data System (ADS)

Biktagirov, T. B.; Smirnov, A. N.; Davydov, V. Yu.; Doherty, M. W.; Alkauskas, A.; Gibson, B. C.; Soltamov, V. A.

2017-08-01

The negatively charged nitrogen-vacancy (NV-) center in diamond is a promising candidate for many quantum applications. Here, we examine the splitting and broadening of the center's infrared (IR) zero-phonon line (ZPL). We develop a model for these effects that accounts for the strain induced by photodependent microscopic distributions of defects. We apply this model to interpret observed variations of the IR ZPL shape with temperature and photoexcitation conditions. We identify an anomalous temperature-dependent broadening mechanism and that defects other than the substitutional nitrogen center significantly contribute to strain broadening. The former conclusion suggests the presence of a strong Jahn-Teller effect in the center's singlet levels and the latter indicates that major sources of broadening are yet to be identified. These conclusions have important implications for the understanding of the center and the engineering of diamond quantum devices. Finally, we propose that, once the major sources of broadening are identified, the IR ZPL has the potential to be a sensitive spectroscopic tool for probing microscopic strain fields and performing defect tomography.

Criteria for disintegration of an uncharged conducting liquid jet in a transverse electric field

NASA Astrophysics Data System (ADS)

Zubareva, O. V.; Zubarev, N. M.; Volkov, N. B.

2018-01-01

An uncharged conducting liquid cylindrical column (a jet for applications) placed between a pair of flat electrodes is considered. In the trivial case, when the electric field is absent, the jet with circular cross-section is the only possible equilibrium configuration of the system. In the presence of a potential difference between the electrodes, the jet is deformed by the electrostatic forces: its cross-section stretches along the electric field lines. In the case of the mutual compensation of the electrostatic and capillary forces, a new equilibrium configuration of the jet can appear. In a sufficiently strong field, the balance of the forces becomes impossible, and the jet disintegrates (splits into two separate jets). In the present work, we find the range of the parameters (the applied potential difference and the interelectrode distance), where the problem of finding the equilibrium configurations of the jet has solutions. Also we obtain the conditions under which the solutions do not exist and, consequently, the jet splits. The results are compared with the previously studied limiting case of infinite interelectrode distance.

Thermal Entanglement in XXZ Heisenberg Model for Coupled Spin-Half and Spin-One Triangular Cell

NASA Astrophysics Data System (ADS)

Najarbashi, Ghader; Balazadeh, Leila; Tavana, Ali

2018-01-01

In this paper, we investigate the thermal entanglement of two-spin subsystems in an ensemble of coupled spin-half and spin-one triangular cells, (1/2, 1/2, 1/2), (1/2, 1, 1/2), (1, 1/2, 1) and (1, 1, 1) with the XXZ anisotropic Heisenberg model subjected to an external homogeneous magnetic field. We adopt the generalized concurrence as the measure of entanglement which is a good indicator of the thermal entanglement and the critical points in the mixed higher dimensional spin systems. We observe that in the near vicinity of the absolute zero, the concurrence measure is symmetric with respect to zero magnetic field and changes abruptly from a non-null to null value for a critical magnetic field that can be signature of a quantum phase transition at finite temperature. The analysis of concurrence versus temperature shows that there exists a critical temperature, that depends on the type of the interaction, i.e. ferromagnetic or antiferromagnetic, the anisotropy parameter and the strength of the magnetic field. Results show that the pairwise thermal entanglement depends on the third spin which affects the maximum value of the concurrence at absolute zero and at quantum critical points.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

The Advantages of Collimator Optimization for Intensity Modulated Radiation Therapy

NASA Astrophysics Data System (ADS)

Doozan, Brian

The goal of this study was to improve dosimetry for pelvic, lung, head and neck, and other cancers sites with aspherical planning target volumes (PTV) using a new algorithm for collimator optimization for intensity modulated radiation therapy (IMRT) that minimizes the x-jaw gap (CAX) and the area of the jaws (CAA) for each treatment field. A retroactive study on the effects of collimator optimization of 20 patients was performed by comparing metric results for new collimator optimization techniques in Eclipse version 11.0. Keeping all other parameters equal, multiple plans are created using four collimator techniques: CA 0, all fields have collimators set to 0°, CAE, using the Eclipse collimator optimization, CAA, minimizing the area of the jaws around the PTV, and CAX, minimizing the x-jaw gap. The minimum area and the minimum x-jaw angles are found by evaluating each field beam's eye view of the PTV with ImageJ and finding the desired parameters with a custom script. The evaluation of the plans included the monitor units (MU), the maximum dose of the plan, the maximum dose to organs at risk (OAR), the conformity index (CI) and the number of fields that are calculated to split. Compared to the CA0 plans, the monitor units decreased on average by 6% for the CAX method with a p-value of 0.01 from an ANOVA test. The average maximum dose remained within 1.1% difference between all four methods with the lowest given by CAX. The maximum dose to the most at risk organ was best spared by the CAA method, which decreased by 0.62% compared to the CA0. Minimizing the x-jaws significantly reduced the number of split fields from 61 to 37. In every metric tested the CAX optimization produced comparable or superior results compared to the other three techniques. For aspherical PTVs, CAX on average reduced the number of split fields, lowered the maximum dose, minimized the dose to the surrounding OAR, and decreased the monitor units. This is achieved while maintaining the same control of the PTV.

Complex-envelope alternating-direction-implicit FDTD method for simulating active photonic devices with semiconductor/solid-state media.

PubMed

Singh, Gurpreet; Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2012-06-15

A complex-envelope (CE) alternating-direction-implicit (ADI) finite-difference time-domain (FDTD) approach to treat light-matter interaction self-consistently with electromagnetic field evolution for efficient simulations of active photonic devices is presented for the first time (to our best knowledge). The active medium (AM) is modeled using an efficient multilevel system of carrier rate equations to yield the correct carrier distributions, suitable for modeling semiconductor/solid-state media accurately. To include the AM in the CE-ADI-FDTD method, a first-order differential system involving CE fields in the AM is first set up. The system matrix that includes AM parameters is then split into two time-dependent submatrices that are then used in an efficient ADI splitting formula. The proposed CE-ADI-FDTD approach with AM takes 22% of the time as the approach of the corresponding explicit FDTD, as validated by semiconductor microdisk laser simulations.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.

PubMed

Chang, Zhiwei; Halle, Bertil

2016-02-28

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands.

PubMed

Alcoba, Diego R; Oña, Ofelia B; Massaccesi, Gustavo E; Torre, Alicia; Lain, Luis; Melo, Juan I; Peralta, Juan E; Oliva-Enrich, Josep M

2018-06-12

We analyze the magnetic properties of three mononuclear Co(II) coordination complexes using quantum chemical complete active space self-consistent field and N-electron valence perturbation theory approaches. The complexes are characterized by a distorted tetrahedral geometry in which the central ion is doubly chelated by the icosahedral ligands derived from 1,2-(HS) 2 -1,2-C 2 B 10 H 10 (complex I), from 1,2-(HS) 2 -1,2-C 2 B 10 H 10 and 9,12-(HS) 2 -1,2-C 2 B 10 H 10 (complex II), and from 9,12-(HS) 2 -1,2-C 2 B 10 H 10 (complex III), which are two positional isomers of dithiolated 1,2-dicarba- closo-dodecaborane (complex I). Complex I was realized experimentally recently (Tu, D.; Shao, D.; Yan, H.; Lu, C. Chem. Commun. 2016, 52, 14326) and served to validate the computational protocol employed in this work, while the remaining two proposed complexes can be considered positional isomers of I. Our calculations show that these complexes present different axial and rhombic zero-field splitting anisotropy parameters and different values of the most significant components of the g tensor. The predicted axial anisotropy D = -147.2 cm -1 for complex II is twice that observed experimentally for complex I, D = -72.8 cm -1 , suggesting that this complex may be of interest for practical applications. We also analyze the temperature dependence of the magnetic susceptibility and molar magnetization for these complexes when subject to an external magnetic field. Overall, our results suggest that o-carborane-incorporated Co(II) complexes are worthwhile candidates for experimental exploration as single-ion molecular magnets.

Curie-type paramagnetic NMR relaxation in the aqueous solution of Ni(II).

PubMed

Mareš, Jiří; Hanni, Matti; Lantto, Perttu; Lounila, Juhani; Vaara, Juha

2014-04-21

Ni(2+)(aq) has been used for many decades as a model system for paramagnetic nuclear magnetic resonance (pNMR) relaxation studies. More recently, its magnetic properties and also nuclear magnetic relaxation rates have been studied computationally. We have calculated electron paramagnetic resonance and NMR parameters using quantum-mechanical (QM) computation of molecular dynamics snapshots, obtained using a polarizable empirical force field. Statistical averages of hyperfine coupling, g- and zero-field splitting tensors, as well as the pNMR shielding terms, are compared to the available experimental and computational data. In accordance with our previous work, the isotropic hyperfine coupling as well as nuclear shielding values agree well with experimental measurements for the (17)O nuclei of water molecules in the first solvation shell of the nickel ion, whereas larger deviations are found for (1)H centers. We report, for the first time, the Curie-type contribution to the pNMR relaxation rate using QM calculations together with Redfield relaxation theory. The Curie relaxation mechanism is analogous to chemical shift anisotropy relaxation, well-known in diamagnetic NMR. Due to the predominance of other types of paramagnetic relaxation mechanisms for this system, it is possible to extract the Curie term only computationally. The Curie mechanism alone would result in around 16 and 20 s(-1) of relaxation rates (R1 and R2 respectively) for the (1)H nuclei of water molecules bonded to the Ni(2+) center, in a magnetic field of 11.7 T. The corresponding (17)O relaxation rates are around 33 and 38 s(-1). We also report the Curie contribution to the relaxation rate for molecules beyond the first solvation shell in a 1 M solution of Ni(2+) in water.

Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems

NASA Astrophysics Data System (ADS)

Chang, Zhiwei; Halle, Bertil

2016-02-01

In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

Dirac Cellular Automaton from Split-step Quantum Walk

PubMed Central

Mallick, Arindam; Chandrashekar, C. M.

2016-01-01

Simulations of one quantum system by an other has an implication in realization of quantum machine that can imitate any quantum system and solve problems that are not accessible to classical computers. One of the approach to engineer quantum simulations is to discretize the space-time degree of freedom in quantum dynamics and define the quantum cellular automata (QCA), a local unitary update rule on a lattice. Different models of QCA are constructed using set of conditions which are not unique and are not always in implementable configuration on any other system. Dirac Cellular Automata (DCA) is one such model constructed for Dirac Hamiltonian (DH) in free quantum field theory. Here, starting from a split-step discrete-time quantum walk (QW) which is uniquely defined for experimental implementation, we recover the DCA along with all the fine oscillations in position space and bridge the missing connection between DH-DCA-QW. We will present the contribution of the parameters resulting in the fine oscillations on the Zitterbewegung frequency and entanglement. The tuneability of the evolution parameters demonstrated in experimental implementation of QW will establish it as an efficient tool to design quantum simulator and approach quantum field theory from principles of quantum information theory. PMID:27184159

Zero energy states at a normal-metal/cuprate-superconductor interface probed by shot noise

NASA Astrophysics Data System (ADS)

Negri, O.; Zaberchik, M.; Drachuck, G.; Keren, A.; Reznikov, M.

2018-06-01

We report measurements of the current noise generated in the optimally doped, x =0.15 , Au-La2-xSrxCuO4 junctions. For high transmission junctions on a (110) surface, we observed a split zero-bias conductance peak (ZBCP), accompanied by enhanced shot noise. We observed no enhanced noise neither in low-transmission junctions on a (110) surface nor in any junction on a (100) surface. We attribute the enhanced noise to Cooper pair transport through the junctions.

Tuning the metal-insulator transition in d1 and d2 perovskites by epitaxial strain: A first-principles-based study

NASA Astrophysics Data System (ADS)

Sclauzero, Gabriele; Dymkowski, Krzysztof; Ederer, Claude

2016-12-01

We investigate the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in perovskite systems with d1 and d2 electron configurations of the transition metal (TM) cation. We first discuss the general trends expected from the changes in the crystal-field splitting and in the hopping parameters that are induced by epitaxial strain. We argue that the strain-induced crystal-field splitting generally favors the Mott-insulating state, whereas the strain-induced changes in the hopping parameters favor the metallic state under compressive strain and the insulating state under tensile strain. Thus the two effects can effectively cancel each other under compressive strain, while they usually cooperate under tensile strain, in this case favoring the insulating state. We then validate these general considerations by performing electronic structure calculations for several d1 and d2 perovskites, using a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We isolate the individual effects of strain-induced changes in either hopping or crystal-field by performing DMFT calculations where we fix one type of parameter to the corresponding unstrained DFT values. These calculations confirm our general considerations for SrVO3 (d1) and LaVO3 (d2), whereas the case of LaTiO3 (d1) is distinctly different, due to the strong effect of the octahedral tilt distortion in the underlying perovskite crystal structure. Our results demonstrate the possibility to tune the electronic properties of correlated TM oxides by using epitaxial strain, which allows to control the strength of electronic correlations and the vicinity to the Mott MIT.

Transient establishment of the wavefronts for negative, zero, and positive refraction.

PubMed

Zhao, Wenjuan; Wu, Qiang; Wang, Ride; Gao, Jianshun; Lu, Yao; Zhang, Qi; Qi, Jiwei; Zhang, Chunling; Pan, Chongpei; Rupp, Romano; Xu, Jingjun

2018-01-22

We quantitatively demonstrate transient establishment of wavefronts for negative, zero, and positive refraction through a wedge-shaped metamaterial consisting of periodically arranged split-ring resonators and metallic wires. The wavefronts for the three types of refractions propagate through the second interface of the wedge along positive refraction angles at first, then reorganize, and finally propagate along the effective refraction angles after a period of establishment time respectively. The establishment time of the wavefronts prevents violating causality or superluminal propagation for negative and zero refraction. The establishment time for negative or zero refraction is longer than that for positive refraction. For all three refraction processes, transient establishment processes precede the establishment of steady propagation. Moreover, some detailed characters are proven in our research, including infinite wavelength, uniform phase inside the zero-index material, and the phase velocity being antiparallel to the group velocity in the negative-index material.

Effect of chiral symmetry on chaotic scattering from Majorana zero modes.

PubMed

Schomerus, H; Marciani, M; Beenakker, C W J

2015-04-24

In many of the experimental systems that may host Majorana zero modes, a so-called chiral symmetry exists that protects overlapping zero modes from splitting up. This symmetry is operative in a superconducting nanowire that is narrower than the spin-orbit scattering length, and at the Dirac point of a superconductor-topological insulator heterostructure. Here we show that chiral symmetry strongly modifies the dynamical and spectral properties of a chaotic scatterer, even if it binds only a single zero mode. These properties are quantified by the Wigner-Smith time-delay matrix Q=-iℏS^{†}dS/dE, the Hermitian energy derivative of the scattering matrix, related to the density of states by ρ=(2πℏ)^{-1}TrQ. We compute the probability distribution of Q and ρ, dependent on the number ν of Majorana zero modes, in the chiral ensembles of random-matrix theory. Chiral symmetry is essential for a significant ν dependence.

First and Higher Order Effects on Zero Order Radiative Transfer Model

NASA Astrophysics Data System (ADS)

Neelam, M.; Mohanty, B.

2014-12-01

Microwave radiative transfer model are valuable tool in understanding the complex land surface interactions. Past literature has largely focused on local sensitivity analysis for factor priotization and ignoring the interactions between the variables and uncertainties around them. Since land surface interactions are largely nonlinear, there always exist uncertainties, heterogeneities and interactions thus it is important to quantify them to draw accurate conclusions. In this effort, we used global sensitivity analysis to address the issues of variable uncertainty, higher order interactions, factor priotization and factor fixing for zero-order radiative transfer (ZRT) model. With the to-be-launched Soil Moisture Active Passive (SMAP) mission of NASA, it is very important to have a complete understanding of ZRT for soil moisture retrieval to direct future research and cal/val field campaigns. This is a first attempt to use GSA technique to quantify first order and higher order effects on brightness temperature from ZRT model. Our analyses reflect conditions observed during the growing agricultural season for corn and soybeans in two different regions in - Iowa, U.S.A and Winnipeg, Canada. We found that for corn fields in Iowa, there exist significant second order interactions between soil moisture, surface roughness parameters (RMS height and correlation length) and vegetation parameters (vegetation water content, structure and scattering albedo), whereas in Winnipeg, second order interactions are mainly due to soil moisture and vegetation parameters. But for soybean fields in both Iowa and Winnipeg, we found significant interactions only to exist between soil moisture and surface roughness parameters.

Dependence of nuclear quadrupole resonance transitions on the electric field gradient asymmetry parameter for nuclides with half-integer spins

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

Cho, Herman

2016-09-01

Allowed transition energies and eigenstate expansions have been calculated and tabulated in numerical form as functions of the electric field gradient asymmetry parameter for the zero field Hamiltonian of quadrupolar nuclides with I = 3/2, 5/2, 7/2, and 9/2. These results may be used to interpret nuclear quadrupole resonance (NQR) spectra and extract accurate values of the electric field gradient tensors. Applications of NQR methods to studies of electronic structure in heavy element systems are proposed. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences, Heavy Element Chemistrymore » program.« less

Stress Energy tensor in LCFT and the Logarithmic Sugawara construction

NASA Astrophysics Data System (ADS)

Kogan, Ian I.; Nichols, Alexander

2002-01-01

We discuss the partners of the stress energy tensor and their structure in Logarithmic conformal field theories. In particular we draw attention to the fundamental differences between theories with zero and non-zero central charge. However they are both characterised by at least two independent parameters. We show how, by using a generalised Sugawara construction, one can calculate the logarithmic partner of T. We show that such a construction works in the c = -2 theory using the conformal dimension one primary currents which generate a logarithmic extension of the Kac-Moody algebra.

A Memory of Majorana Modes through Quantum Quench

PubMed Central

Chung, Ming-Chiang; Jhu, Yi-Hao; Chen, Pochung; Mou, Chung-Yu; Wan, Xin

2016-01-01

We study the sudden quench of a one-dimensional p-wave superconductor through its topological signature in the entanglement spectrum. We show that the long-time evolution of the system and its topological characterization depend on a pseudomagnetic field Reff(k). Furthermore, Reff(k) connects both the initial and the final Hamiltonians, hence exhibiting a memory effect. In particular, we explore the robustness of the Majorana zero-mode and identify the parameter space in which the Majorana zero-mode can revive in the infinite-time limit. PMID:27389657

Concerning the Development of the Wide-Field Optics for WFXT Including Methods of Optimizing X-Ray Optical Prescriptions for Wide-Field Applications

NASA Technical Reports Server (NTRS)

Weisskopf, M. C.; Elsner, R. F.; O'Dell, S. L.; Ramsey, B. D.

2010-01-01

We present a progress report on the various endeavors we are undertaking at MSFC in support of the Wide Field X-Ray Telescope development. In particular we discuss assembly and alignment techniques, in-situ polishing corrections, and the results of our efforts to optimize mirror prescriptions including polynomial coefficients, relative shell displacements, detector placements and tilts. This optimization does not require a blind search through the multi-dimensional parameter space. Under the assumption that the parameters are small enough so that second order expansions are valid, we show that the performance at the detector can be expressed as a quadratic function with numerical coefficients derived from a ray trace through the underlying Wolter I optic. The optimal values for the parameters are found by solving the linear system of equations creating by setting derivatives of this function with respect to each parameter to zero.

A splitting scheme based on the space-time CE/SE method for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

2016-08-01

Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

Deformations of vector-scalar models

NASA Astrophysics Data System (ADS)

Barnich, Glenn; Boulanger, Nicolas; Henneaux, Marc; Julia, Bernard; Lekeu, Victor; Ranjbar, Arash

2018-02-01

Abelian vector fields non-minimally coupled to uncharged scalar fields arise in many contexts. We investigate here through algebraic methods their consistent deformations ("gaugings"), i.e., the deformations that preserve the number (but not necessarily the form or the algebra) of the gauge symmetries. Infinitesimal consistent deformations are given by the BRST cohomology classes at ghost number zero. We parametrize explicitly these classes in terms of various types of global symmetries and corresponding Noether currents through the characteristic cohomology related to antifields and equations of motion. The analysis applies to all ghost numbers and not just ghost number zero. We also provide a systematic discussion of the linear and quadratic constraints on these parameters that follow from higher-order consistency. Our work is relevant to the gaugings of extended supergravities.

Stress Energy Tensor in LCFT and LOGARITHMIC Sugawara Construction

NASA Astrophysics Data System (ADS)

Kogan, Ian I.; Nichols, Alexander

We discuss the partners of the stress energy tensor and their structure in Logarithmic conformal field theories. In particular we draw attention to the fundamental differences between theories with zero and non-zero central charge. However they are both characterised by at least two independent parameters. We show how, by using a generalised Sugawara construction, one can calculate the logarithmic partner of T. We show that such a construction works in the c=-2 theory using the conformal dimension one primary currents which generate a logarithmic extension of the Kac-Moody algebra. This is an expanded version of a talk presented by A. Nichols at the conference on Logarithmic Conformal Field Theory and its Applications in Tehran Iran, 2001.

Field by field hybrid upwind splitting methods

NASA Technical Reports Server (NTRS)

Coquel, Frederic; Liou, Meng-Sing

1993-01-01

A new and general approach to upwind splitting is presented. The design principle combines the robustness of flux vector splitting schemes in the capture of nonlinear waves and the accuracy of some flux difference splitting schemes in the resolution of linear waves. The new schemes are derived following a general hybridization technique performed directly at the basic level of the field by field decomposition involved in FDS methods. The scheme does not use a spatial switch to be tuned up according to the local smoothness of the approximate solution.

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

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

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

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

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

DOE PAGES

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

2017-07-25

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

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Methods of Optimizing X-Ray Optical Prescriptions for Wide-Field Applications

NASA Technical Reports Server (NTRS)

Elsner, R. F.; O'Dell, S. L.; Ramsey, B. D.; Weisskopf, M. C.

2010-01-01

We are working on the development of a method for optimizing wide-field x-ray telescope mirror prescriptions, including polynomial coefficients, mirror shell relative displacements, and (assuming 4 focal plane detectors) detector placement and tilt that does not require a search through the multi-dimensional parameter space. Under the assumption that the parameters are small enough that second order expansions are valid, we show that the performance at the detector surface can be expressed as a quadratic function of the parameters with numerical coefficients derived from a ray trace through the underlying Wolter I optic. The best values for the parameters are found by solving the linear system of equations creating by setting derivatives of this function with respect to each parameter to zero. We describe the present status of this development effort.

A continuum theory of edge dislocations

NASA Astrophysics Data System (ADS)

Berdichevsky, V. L.

2017-09-01

Continuum theory of dislocation aims to describe the behavior of large ensembles of dislocations. This task is far from completion, and, most likely, does not have a "universal solution", which is applicable to any dislocation ensemble. In this regards it is important to have guiding lines set by benchmark cases, where the transition from a discrete set of dislocations to a continuum description is made rigorously. Two such cases have been considered recently: equilibrium of dislocation walls and screw dislocations in beams. In this paper one more case is studied, equilibrium of a large set of 2D edge dislocations placed randomly in a 2D bounded region. The major characteristic of interest is energy of dislocation ensemble, because it determines the structure of continuum equations. The homogenized energy functional is obtained for the periodic dislocation ensembles with a random contents of the periodic cell. Parameters of the periodic structure can change slowly on distances of order of the size of periodic cells. The energy functional is obtained by the variational-asymptotic method. Equilibrium positions are local minima of energy. It is confirmed the earlier assertion that energy density of the system is the sum of elastic energy of averaged elastic strains and microstructure energy, which is elastic energy of the neutralized dislocation system, i.e. the dislocation system placed in a constant dislocation density field making the averaged dislocation density zero. The computation of energy is reduced to solution of a variational cell problem. This problem is solved analytically. The solution is used to investigate stability of simple dislocation arrays, i.e. arrays with one dislocation in the periodic cell. The relations obtained yield two outcomes: First, there is a state parameter of the system, dislocation polarization; averaged stresses affect only dislocation polarization and cannot change other characteristics of the system. Second, the structure of dislocation phase space is strikingly simple. Dislocation phase space is split in a family of subspaces corresponding to constant values of dislocation polarizations; in each equipolarization subspace there are many local minima of energy; for zero external stresses the system is stuck in a local minimum of energy; for non-zero slowly changing external stress, dislocation polarization evolves, while the system moves over local energy minima of equipolarization subspaces. Such a simple picture of dislocation dynamics is due to the presence of two time scales, slow evolution of dislocation polarization and fast motion of the system over local minima of energy. The existence of two time scales is justified for a neutral system of edge dislocations.

Electronic spectrum of trilayer graphene

NASA Astrophysics Data System (ADS)

Kumar, S.; Ajay

2014-08-01

Present work deals with the analysis of the single particle electronic spectral function in trilayer (ABC-, ABA- and AAA-stacked) graphene. Tight binding Hamiltonian containing intralayer nearest-neighbor and next-nearest neighbor hopping along-with the interlayer coupling parameter within two triangular sub-lattice approach for trilayer graphene has been employed. The expression of single particle spectral functions A(kw) is obtained within mean-field Green's function equations of motion approach. Spectral function at Γ, M and K points of the Brillouin zone has been numerically computed. It is pointed out that the nature of electronic states at different points of Brillouin zone is found to be influenced by stacking order and Coulomb interactions. At Γ and M points, a trilayer splitting is predicted while at K point a bilayer splitting effect is observed due to crossing of two bands (at K point). Interlayer coupling ( t_{ bot } ) is found to be responsible for the splitting of quasi-particle peaks at each point of Brillouin zone. The influence of t_{ bot } in trilayer graphene is prominent for AAA-stacking compared to ABC- and ABA-stacking. On the other hand, onsite Coulomb interaction reduces the trilayer splitting effect into bilayer splitting at Γ and M points of Brillouin zone and bilayer splitting into single peak spectral function at K point with a shifting of the peak away from Fermi level.

Analysis of multidimensional difference-of-Gaussians filters in terms of directly observable parameters.

PubMed

Cope, Davis; Blakeslee, Barbara; McCourt, Mark E

2013-05-01

The difference-of-Gaussians (DOG) filter is a widely used model for the receptive field of neurons in the retina and lateral geniculate nucleus (LGN) and is a potential model in general for responses modulated by an excitatory center with an inhibitory surrounding region. A DOG filter is defined by three standard parameters: the center and surround sigmas (which define the variance of the radially symmetric Gaussians) and the balance (which defines the linear combination of the two Gaussians). These parameters are not directly observable and are typically determined by nonlinear parameter estimation methods applied to the frequency response function. DOG filters show both low-pass (optimal response at zero frequency) and bandpass (optimal response at a nonzero frequency) behavior. This paper reformulates the DOG filter in terms of a directly observable parameter, the zero-crossing radius, and two new (but not directly observable) parameters. In the two-dimensional parameter space, the exact region corresponding to bandpass behavior is determined. A detailed description of the frequency response characteristics of the DOG filter is obtained. It is also found that the directly observable optimal frequency and optimal gain (the ratio of the response at optimal frequency to the response at zero frequency) provide an alternate coordinate system for the bandpass region. Altogether, the DOG filter and its three standard implicit parameters can be determined by three directly observable values. The two-dimensional bandpass region is a potential tool for the analysis of populations of DOG filters (for example, populations of neurons in the retina or LGN), because the clustering of points in this parameter space may indicate an underlying organizational principle. This paper concentrates on circular Gaussians, but the results generalize to multidimensional radially symmetric Gaussians and are given as an appendix.

EVOLUTION OF FAST MAGNETOACOUSTIC PULSES IN RANDOMLY STRUCTURED CORONAL PLASMAS

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

Yuan, D.; Li, B.; Pascoe, D. J.

2015-02-01

We investigate the evolution of fast magnetoacoustic pulses in randomly structured plasmas, in the context of large-scale propagating waves in the solar atmosphere. We perform one-dimensional numerical simulations of fast wave pulses propagating perpendicular to a constant magnetic field in a low-β plasma with a random density profile across the field. Both linear and nonlinear regimes are considered. We study how the evolution of the pulse amplitude and width depends on their initial values and the parameters of the random structuring. Acting as a dispersive medium, a randomly structured plasma causes amplitude attenuation and width broadening of the fast wavemore » pulses. After the passage of the main pulse, secondary propagating and standing fast waves appear. Width evolution of both linear and nonlinear pulses can be well approximated by linear functions; however, narrow pulses may have zero or negative broadening. This arises because narrow pulses are prone to splitting, while broad pulses usually deviate less from their initial Gaussian shape and form ripple structures on top of the main pulse. Linear pulses decay at an almost constant rate, while nonlinear pulses decay exponentially. A pulse interacts most efficiently with a random medium with a correlation length of about half of the initial pulse width. This detailed model of fast wave pulses propagating in highly structured media substantiates the interpretation of EIT waves as fast magnetoacoustic waves. Evolution of a fast pulse provides us with a novel method to diagnose the sub-resolution filamentation of the solar atmosphere.« less

Electric field poling induced self-biased converse magnetoelectric response in PMN-PT/NiFe2O4 nanocomposites

NASA Astrophysics Data System (ADS)

Ahlawat, Anju; Satapathy, S.; Deshmukh, Pratik; Shirolkar, M. M.; Sinha, A. K.; Karnal, A. K.

2017-12-01

In this letter, studies on structural transitions and the effect of electric field poling on magnetoelectric (ME) properties in 0.65Pb (Mg1/3Nb2/3)O3-0.35PbTiO3 (PMN-PT)/NiFe2O4 (NFO) nanocomposites are reported. The composite illustrates dramatic changes in the NFO crystal structure across ferroelectric transition temperature [Curie temperature (Tc) ˜ 450 K] of PMN-PT, while pure NFO does not exhibit any structural change in the temperature range (300 K-650 K). Synchrotron based X-ray diffraction analysis revealed the splitting of NFO peaks across the Tc of PMN-PT in the PMN-PT/NFO composite. Consequently, the anomalies are observed in temperature dependent magnetization of the NFO phase at the Tc of PMN-PT, establishing ME coupling in the PMN-PT/NFO composite. Furthermore, the composite exhibits drastic modification in ME coupling under electrically poled and unpoled conditions. A large self-biased ME effect characterized by non-zero ME response at zero Hbias was observed in electrically poled composites, which was not observed in unpoled PMN-PT/NFO. These results propose an alternative mechanism for intrinsic converse ME effects. The maximum magnetoelectric output was doubled after electrical poling. The observed self-biased converse magnetoelectric effect at room temperature provides potential applications in electrically controlled memory devices and magnetic flux control devices.

Tunneling splitting in double-proton transfer: direct diagonalization results for porphycene.

PubMed

Smedarchina, Zorka; Siebrand, Willem; Fernández-Ramos, Antonio

2014-11-07

Zero-point and excited level splittings due to double-proton tunneling are calculated for porphycene and the results are compared with experiment. The calculation makes use of a multidimensional imaginary-mode Hamiltonian, diagonalized directly by an effective reduction of its dimensionality. Porphycene has a complex potential energy surface with nine stationary configurations that allow a variety of tunneling paths, many of which include classically accessible regions. A symmetry-based approach is used to show that the zero-point level, although located above the cis minimum, corresponds to concerted tunneling along a direct trans - trans path; a corresponding cis - cis path is predicted at higher energy. This supports the conclusion of a previous paper [Z. Smedarchina, W. Siebrand, and A. Fernández-Ramos, J. Chem. Phys. 127, 174513 (2007)] based on the instanton approach to a model Hamiltonian of correlated double-proton transfer. A multidimensional tunneling Hamiltonian is then generated, based on a double-minimum potential along the coordinate of concerted proton motion, which is newly evaluated at the RI-CC2/cc-pVTZ level of theory. To make it suitable for diagonalization, its dimensionality is reduced by treating fast weakly coupled modes in the adiabatic approximation. This results in a coordinate-dependent mass of tunneling, which is included in a unique Hermitian form into the kinetic energy operator. The reduced Hamiltonian contains three symmetric and one antisymmetric mode coupled to the tunneling mode and is diagonalized by a modified Jacobi-Davidson algorithm implemented in the Jadamilu software for sparse matrices. The results are in satisfactory agreement with the observed splitting of the zero-point level and several vibrational fundamentals after a partial reassignment, imposed by recently derived selection rules. They also agree well with instanton calculations based on the same Hamiltonian.

Unusual Magnetic Response of an S = 1 Antiferromagetic Linear-Chain Material

NASA Astrophysics Data System (ADS)

Xia, Jian-Sheng; Ozarowski, Andrzej; Spurgeon, Peter M.; Graham, Adora G.; Manson, Jamie L.; Meisel, Mark W.

2018-03-01

An S = 1 antiferromagnetic polymeric chain, [Ni(HF2)(3-Clpy)4]BF4 (py = pyridine), also referred to as NBCT, has previously been identified to have intrachain, nearest-neighbor antiferromagnetic interaction strength J/k B = 4.86 K and single-ion anisotropy (zero-field splitting) D/k B = 4.3 K, so the ratio D/J = 0.88 places this system close to the D/J ≈ 1 gapless critical point between the topologically distinct Haldane and Large-D phases. The magnetization was studied over a range of temperatures, 50 mK ≤ T ≤ 1 K, and magnetic fields, B ≤ 10 T, in an attempt to identify a critical field, B c, associated with the closing of a gap, and the present work places an upper bound of B c ≤ (35 ± 10) mT. At higher fields, the observed magnetic response is qualitatively similar to the “excess” signal observed by other workers at 0.5 K and below 3 T. The high-field (up to 14.5 T), multi-frequency (nominally 200 GHz to 425 GHz) ESR spectra at 3 K reveal several features associated with the sample.

Projected Dipole Moments of Individual Two-Level Defects Extracted Using Circuit Quantum Electrodynamics.

PubMed

Sarabi, B; Ramanayaka, A N; Burin, A L; Wellstood, F C; Osborn, K D

2016-04-22

Material-based two-level systems (TLSs), appearing as defects in low-temperature devices including superconducting qubits and photon detectors, are difficult to characterize. In this study we apply a uniform dc electric field across a film to tune the energies of TLSs within. The film is embedded in a superconducting resonator such that it forms a circuit quantum electrodynamical system. The energy of individual TLSs is observed as a function of the known tuning field. By studying TLSs for which we can determine the tunneling energy, the actual p_{z}, dipole moments projected along the uniform field direction, are individually obtained. A distribution is created with 60 p_{z}. We describe the distribution using a model with two dipole moment magnitudes, and a fit yields the corresponding values p=p_{1}=2.8±0.2  D and p=p_{2}=8.3±0.4  D. For a strong-coupled TLS the vacuum-Rabi splitting can be obtained with p_{z} and tunneling energy. This allows a measurement of the circuit's zero-point electric-field fluctuations, in a method that does not need the electric-field volume.

Magnetoresistance engineering and singlet/triplet switching in InAs nanowire quantum dots with ferromagnetic sidegates

NASA Astrophysics Data System (ADS)

Fábián, G.; Makk, P.; Madsen, M. H.; Nygârd, J.; Schönenberger, C.; Baumgartner, A.

2016-11-01

We present magnetoresistance (MR) experiments on an InAs nanowire quantum dot device with two ferromagnetic sidegates (FSGs) in a split-gate geometry. The wire segment can be electrically tuned to a single dot or to a double dot regime using the FSGs and a backgate. In both regimes we find a strong MR and a sharp MR switching of up to 25% at the field at which the magnetizations of the FSGs are inverted by the external field. The sign and amplitude of the MR and the MR switching can both be tuned electrically by the FSGs. In a double dot regime close to pinch-off we find two sharp transitions in the conductance, reminiscent of tunneling MR (TMR) between two ferromagnetic contacts, with one transition near zero and one at the FSG switching fields. These surprisingly rich characteristics we explain in several simple resonant tunneling models. For example, the TMR-like MR can be understood as a stray-field controlled transitions between singlet and triplet double dot states. Such local magnetic fields are the key elements in various proposals to engineer novel states of matter and may be used for testing electron spin based Bell inequalities.

Marginalized zero-inflated negative binomial regression with application to dental caries

PubMed Central

Preisser, John S.; Das, Kalyan; Long, D. Leann; Divaris, Kimon

2015-01-01

The zero-inflated negative binomial regression model (ZINB) is often employed in diverse fields such as dentistry, health care utilization, highway safety, and medicine to examine relationships between exposures of interest and overdispersed count outcomes exhibiting many zeros. The regression coefficients of ZINB have latent class interpretations for a susceptible subpopulation at risk for the disease/condition under study with counts generated from a negative binomial distribution and for a non-susceptible subpopulation that provides only zero counts. The ZINB parameters, however, are not well-suited for estimating overall exposure effects, specifically, in quantifying the effect of an explanatory variable in the overall mixture population. In this paper, a marginalized zero-inflated negative binomial regression (MZINB) model for independent responses is proposed to model the population marginal mean count directly, providing straightforward inference for overall exposure effects based on maximum likelihood estimation. Through simulation studies, the finite sample performance of MZINB is compared to marginalized zero-inflated Poisson, Poisson, and negative binomial regression. The MZINB model is applied in the evaluation of a school-based fluoride mouthrinse program on dental caries in 677 children. PMID:26568034

One‐Dimensional Earth‐Abundant Nanomaterials for Water‐Splitting Electrocatalysts

PubMed Central

Li, Jun

2016-01-01

Hydrogen fuel acquisition based on electrochemical or photoelectrochemical water splitting represents one of the most promising means for the fast increase of global energy need, capable of offering a clean and sustainable energy resource with zero carbon footprints in the environment. The key to the success of this goal is the realization of robust earth‐abundant materials and cost‐effective reaction processes that can catalyze both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), with high efficiency and stability. In the past decade, one‐dimensional (1D) nanomaterials and nanostructures have been substantially investigated for their potential in serving as these electrocatalysts for reducing overpotentials and increasing catalytic activity, due to their high electrochemically active surface area, fast charge transport, efficient mass transport of reactant species, and effective release of gas produced. In this review, we summarize the recent progress in developing new 1D nanomaterials as catalysts for HER, OER, as well as bifunctional electrocatalysts for both half reactions. Different categories of earth‐abundant materials including metal‐based and metal‐free catalysts are introduced, with their representative results presented. The challenges and perspectives in this field are also discussed. PMID:28331791

Magnetic field-induced changes of lattice parameters and thermal expansion behavior of the CoMnSi compound

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

Kou, R. H.; Gao, J.; Wang, G.

2016-02-01

The crystal structure of the CoMnSi compound during zero-field cooling and field cooling from room temperature down to 200 K was studied using the synchrotron radiation X-ray diffraction technique. The results show that the lattice parameters and thermal expansion behavior of the sample are changed by the applied magnetic fields. The lattice contracts along the a axis, but expands along the b and c axes. Due to enlarged and anisotropic changes under a magnetic field of 6 T, the lattice shows an invar-like behavior along all three axes. Critical interatomic distances and bond angles also show large changes under themore » influence of such a high magnetic field. These magnetic field-induced changes of the lattice are discussed with respect to their contributions to the large magnetocaloric effect of the CoMnSi compound.« less

Charge carrier mobility in a two-phase disordered organic system in the low-carrier concentration regime

NASA Astrophysics Data System (ADS)

Woellner, Cristiano F.; Li, Zi; Freire, José A.; Lu, Gang; Nguyen, Thuc-Quyen

2013-09-01

In this paper we use a three-dimensional Pauli master equation to investigate the charge carrier mobility of a two-phase system which can mimic donor-acceptor and amorphous-crystalline bulk heterojunctions. By taking the energetic disorder of each phase, their energy offset, and domain morphology into consideration, we show that the carrier mobility can have a completely different behavior when compared to a one-phase system. When the energy offset is equal to zero, the mobility is controlled by the more disordered phase. When the energy offset is nonzero, we show that the mobility electric field dependence switches from negative to positive at a threshold field proportional to the energy offset. Additionally, the influence of morphology, through the domain size and volume ratio parameters, on the transport is investigated and an approximate analytical expression for the zero field mobility is provided.

Zeeman splitting of 6.7 GHz methanol masers. On the uncertainty of magnetic field strength determinations

NASA Astrophysics Data System (ADS)

Vlemmings, W. H. T.; Torres, R. M.; Dodson, R.

2011-05-01

Context. To properly determine the role of magnetic fields during massive star formation, a statistically significant sample of field measurements probing different densities and regions around massive protostars needs to be established. However, relating Zeeman splitting measurements to magnetic field strengths needs a carefully determined splitting coefficient. Aims: Polarization observations of, in particular, the very abundant 6.7 GHz methanol maser, indicate that these masers appear to be good probes of the large scale magnetic field around massive protostars at number densities up to nH2 ≈ 109 cm-3. We thus investigate the Zeeman splitting of the 6.7 GHz methanol maser transition. Methods: We have observed of a sample of 46 bright northern hemisphere maser sources with the Effelsberg 100-m telescope and an additional 34 bright southern masers with the Parkes 64-m telescope in an attempt to measure their Zeeman splitting. We also revisit the previous calculation of the methanol Zeeman splitting coefficients and show that these were severely overestimated making the determination of magnetic field strengths highly uncertain. Results: In total 44 of the northern masers were detected and significant splitting between the right- and left-circular polarization spectra is determined in >75% of the sources with a flux density >20 Jy beam-1. Assuming the splitting is due to a magnetic field according to the regular Zeeman effect, the average detected Zeeman splitting corrected for field geometry is ~0.6 m s-1. Using an estimate of the 6.7 GHz A-type methanol maser Zeeman splitting coefficient based on old laboratory measurements of 25 GHz E-type methanol transitions this corresponds to a magnetic field of ~120 mG in the methanol maser region. This is significantly higher than expected using the typically assumed relation between magnetic field and density (B∝ n_H_20.47) and potentially indicates the extrapolation of the available laboratory measurements is invalid. The stability of the right- and left-circular calibration of the Parkes observations was insufficient to determine the Zeeman splitting of the Southern sample. Spectra are presented for all sources in both samples. Conclusions: There is no strong indication that the measured splitting between right- and left-circular polarization is due to non-Zeeman effects, although this cannot be ruled out until the Zeeman coefficient is properly determined. However, although the 6.7 GHz methanol masers are still excellent magnetic field morphology probes through linear polarization observations, previous derivations of magnetic fields strength turn out to be highly uncertain. A solution to this problem will require new laboratory measurements of the methanol Landé-factors. Table 2 and Figs. 5-7 are only available in electronic form at http://www.aanda.org

Asymptotically (A)dS dilaton black holes with nonlinear electrodynamics

NASA Astrophysics Data System (ADS)

Hajkhalili, S.; Sheykhi, A.

It is well known that with an appropriate combination of three Liouville-type dilaton potentials, one can construct charged dilaton black holes in an (anti)-de Sitter [(A)dS] spaces in the presence of linear Maxwell field. However, asymptotically (A)dS dilaton black holes coupled to nonlinear gauge field have not been found. In this paper, we construct, for the first time, three new classes of dilaton black hole solutions in the presence of three types of nonlinear electrodynamics, namely Born-Infeld (BI), Logarithmic (LN) and Exponential nonlinear (EN) electrodynamics. All these solutions are asymptotically (A)dS and in the linear regime reduce to the Einstein-Maxwell-dilaton (EMd) black holes in (A)dS spaces. We investigate physical properties and the causal structure, as well as asymptotic behavior of the obtained solutions, and show that depending on the values of the metric parameters, the singularity can be covered by various horizons. We also calculate conserved and thermodynamic quantities of the obtained solutions. Interestingly enough, we find that the coupling of dilaton field and nonlinear gauge field in the background of (A)dS spaces leads to a strange behavior for the electric field. We observe that the electric field is zero at singularity and increases smoothly until reaches a maximum value, then it decreases smoothly until goes to zero as r →∞. The maximum value of the electric field increases with increasing the nonlinear parameter β or decreasing the dilaton coupling α and is shifted to the singularity in the absence of either dilaton field (α = 0) or nonlinear gauge field (β →∞).

Effect of external electric field on spin-orbit splitting of the two-dimensional tungsten dichalcogenides WX 2 (X = S, Se)

NASA Astrophysics Data System (ADS)

Affandi, Y.; Absor, M. A. U.; Abraha, K.

2018-04-01

Tungsten dichalcogenides WX 2 (X=S, Se) monolayer (ML) attracted much attention due their large spin splitting, which is promising for spintronics applications. However, manipulation of the spin splitting using an external electric field plays a crucial role in the spintronic device operation, such as the spin-field effect transistor. By using first-principles calculations based on density functional theory (DFT), we investigate the impact of external electric field on the spin splitting properties of the WX 2 ML. We find that large spin-splitting up to 441 meV and 493 meV is observed on the K point of the valence band maximum, for the case of the WS2 and WSe2 ML, respectively. Moreover, we also find that the large spin-orbit splitting is also identified in the conduction band minimum around Q points with energy splitting of 285 meV and 270 meV, respectively. Our calculation also show that existence of the direct semiconducting – indirect semiconducting – metallic transition by applying the external electric field. Our study clarify that the electric field plays a significant role in spin-orbit interaction of the WX 2 ML, which has very important implications in designing future spintronic devices.

Features of the Percolation Scheme of Vibrational Spectrum Reconstruction in the Ga1 - x Al x P Alloy

NASA Astrophysics Data System (ADS)

Kozyrev, S. P.

2018-04-01

Specific features of the properties of Ga-P lattice vibrations have been investigated using the percolation model of a mixed Ga1 - x Al x P crystal (alloy) with zero lattice mismatch between binary components of the alloy. In contrast to other two-mode alloy systems, in Ga1 - x Al x P a percolation splitting of δ 13 cm-1 is observed for the low-frequency mode of GaP-like vibrations. An additional GaP mode (one of the percolation doublet components) split from the fundamental mode is observed for the GaP-rich alloy, which coincides in frequency with the gap corresponding to the zero density of one-phonon states of the GaP crystal. The vibrational spectrum of impurity Al in the GaP crystal has been calculated using the theory of crystal lattice dynamics. Upon substitution of lighter Al for the Ga atom, the calculated spectrum includes, along with the local mode, a singularity near the gap with the zero density of phonon states of the GaP crystal, which coincides with the mode observed experimentally at a frequency of 378 cm-1 in the Ga1 - x Al x P ( x < 0.4) alloy.

Photon Counting as a Probe of Superfluidity in a Two-Band Bose-Hubbard System Coupled to a Cavity Field

NASA Astrophysics Data System (ADS)

Rajaram, Sara; Trivedi, Nandini

2013-12-01

We show that photon number measurement can be used to detect superfluidity for a two-band Bose-Hubbard model coupled to a cavity field. The atom-photon coupling induces transitions between the two internal atomic levels and results in entangled polaritonic states. In the presence of a cavity field, we find different photon numbers in the Mott-insulating versus superfluid phases, providing a method of distinguishing the atomic phases by photon counting. Furthermore, we examine the dynamics of the photon field after a rapid quench to zero atomic hopping by increasing the well depth. We find a robust correlation between the field’s quench dynamics and the initial superfluid order parameter, thereby providing a novel and accurate method of determining the order parameter.

Magnetic Field Effects on the Fluctuation Corrections to the Sound Attenuation in Liquid ^3He

NASA Astrophysics Data System (ADS)

Zhao, Erhai; Sauls, James A.

2002-03-01

We investigated the effect of a magnetic field on the excess sound attenuation due to order parameter fluctuations in bulk liquid ^3He and liquid ^3He in aerogel for temperatures just above the corresponding superfluid transition temperatures. The fluctuation corrections to the acoustic attenuation are sensitive to magnetic field pairbreaking, aerogel scattering as well as the spin correlations of fluctuating pairs. Calculations of the corrections to the zero sound velocity, δ c_0, and attenuation, δα_0, are carried out in the ladder approximation for the singular part of the quasiparticle-quasiparticle scattering amplitude(V. Samalam and J. W. Serene, Phys. Rev. Lett. \\underline41), 497 (1978). as a function of frequency, temperature, impurity scattering and magnetic field strength. The magnetic field suppresses the fluctuation contributions to the attenuation of zero sound. With increasing magnetic field the temperature dependence of δα_0(t) crosses over from δα_0(t) ~√ t to δα_0(t) ~ t, where t=T/Tc -1 is the reduced temperature.

Andreev Reflection Spectroscopy of Nb-doped Bi2Se3 Topological Insulator

NASA Astrophysics Data System (ADS)

Kurter, C.; Finck, A. D. K.; Qiu, Y.; Huemiller, E.; Weis, A.; Atkinson, J.; Medvedeva, J.; Hor, Y. S.; van Harlingen, D. J.

2015-03-01

Doped topological insulators are speculated to realize p-wave superconductivity with unusual low energy quasiparticles, such as surface Andreev bound states. We present point contact spectroscopy of thin exfoliated flakes of Nb-doped Bi2Se3 where superconductivity persists up to ~ 1 K, compared to 3.2 K in bulk crystals. The critical magnetic field is strongly anisotropic, consistent with quasi-2D behavior. Andreev reflection measurements of devices with low resistance contacts result in prominent BTK-like behavior with an enhanced conductance plateau at low bias. For high resistance contacts, we observe a split zero bias conductance anomaly and additional features at the superconducting gap. Our results suggest that this material is a promising platform for studying topological superconductivity. We acknowledge support from Microsoft Project Q.

Novel High Cooperativity Photon-Magnon Cavity QED

NASA Astrophysics Data System (ADS)

Tobar, Michael; Bourhill, Jeremy; Kostylev, Nikita; G, Maxim; Creedon, Daniel

Novel microwave cavities are presented, which couple photons and magnons in YIG spheres in a super- and ultra-strong way at around 20 mK in temperature. Few/Single photon couplings (or normal mode splitting, 2g) of more than 6 GHz at microwave frequencies are obtained. Types of cavities include multiple post reentrant cavities, which co-couple photons at different frequencies with a coupling greater that the free spectral range, as well as spherical loaded dielectric cavity resonators. In such cavities we show that the bare dielectric properties can be obtained by polarizing all magnon modes to high energy using a 7 Tesla magnet. We also show that at zero-field, collective effects of the spins significantly perturb the photon modes. Other effects like time-reversal symmetry breaking are observed.

Temperature-Induced Topological Phase Transition in HgTe Quantum Wells

NASA Astrophysics Data System (ADS)

Kadykov, A. M.; Krishtopenko, S. S.; Jouault, B.; Desrat, W.; Knap, W.; Ruffenach, S.; Consejo, C.; Torres, J.; Morozov, S. V.; Mikhailov, N. N.; Dvoretskii, S. A.; Teppe, F.

2018-02-01

We report a direct observation of temperature-induced topological phase transition between the trivial and topological insulator states in an HgTe quantum well. By using a gated Hall bar device, we measure and represent Landau levels in fan charts at different temperatures, and we follow the temperature evolution of a peculiar pair of "zero-mode" Landau levels, which split from the edge of electronlike and holelike subbands. Their crossing at a critical magnetic field Bc is a characteristic of inverted band structure in the quantum well. By measuring the temperature dependence of Bc, we directly extract the critical temperature Tc at which the bulk band gap vanishes and the topological phase transition occurs. Above this critical temperature, the opening of a trivial gap is clearly observed.

An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium

NASA Technical Reports Server (NTRS)

Eppard, W. M.; Grossman, B.

1993-01-01

We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.

Estimation of inflation parameters for Perturbed Power Law model using recent CMB measurements

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

Mukherjee, Suvodip; Das, Santanu; Souradeep, Tarun

2015-01-01

Cosmic Microwave Background (CMB) is an important probe for understanding the inflationary era of the Universe. We consider the Perturbed Power Law (PPL) model of inflation which is a soft deviation from Power Law (PL) inflationary model. This model captures the effect of higher order derivative of Hubble parameter during inflation, which in turn leads to a non-zero effective mass m{sub eff} for the inflaton field. The higher order derivatives of Hubble parameter at leading order sources constant difference in the spectral index for scalar and tensor perturbation going beyond PL model of inflation. PPL model have two observable independentmore » parameters, namely spectral index for tensor perturbation ν{sub t} and change in spectral index for scalar perturbation ν{sub st} to explain the observed features in the scalar and tensor power spectrum of perturbation. From the recent measurements of CMB power spectra by WMAP, Planck and BICEP-2 for temperature and polarization, we estimate the feasibility of PPL model with standard ΛCDM model. Although BICEP-2 claimed a detection of r=0.2, estimates of dust contamination provided by Planck have left open the possibility that only upper bound on r will be expected in a joint analysis. As a result we consider different upper bounds on the value of r and show that PPL model can explain a lower value of tensor to scalar ratio (r<0.1 or r<0.01) for a scalar spectral index of n{sub s}=0.96 by having a non-zero value of effective mass of the inflaton field m{sup 2}{sub eff}/H{sup 2}. The analysis with WP + Planck likelihood shows a non-zero detection of m{sup 2}{sub eff}/H{sup 2} with 5.7 σ and 8.1 σ respectively for r<0.1 and r<0.01. Whereas, with BICEP-2 likelihood m{sup 2}{sub eff}/H{sup 2} = −0.0237 ± 0.0135 which is consistent with zero.« less

Experimental determination of the bulk Rashba parameters in BiTeBr

NASA Astrophysics Data System (ADS)

Martin, C.; Suslov, A. V.; Buvaev, S.; Hebard, A. F.; Bugnon, P.; Berger, H.; Magrez, A.; Tanner, D. B.

2016-12-01

Shubnikov-de Haas (SdH) oscillations, Hall effect, and optical reflectance (R(ω)) measurements have been performed on single crystals of BiTeBr. Under magnetic fields up to 32 tesla and at temperatures as low as 0.4 K, the SdH data shows a single oscillation frequency F = 102 +/- 5 \\text{tesla} . The combined transport and optical studies establish that the SdH effect originates from the Rashba spin-split bulk conduction band, with the chemical potential situated about 13 meV below the crossing (Dirac) point. The bulk carrier concentration was ne≈5×1018 \\text{cm}-3 and the effective mass m1*= 0.16m0 . Combining SdH and optical data, we reliably determine the Rashba parameters for the bulk conduction band of BiTeBr: the Rashba energy ER = 28 \\text{meV} and the momentum spin-split kR = 0.033 \\unicode{8491}-1 . Hence, the bulk Rashba coupling strength αR = 2ER/kR is found to be 1.7 eVÅ.

Large quasiparticle thermal Hall conductivity in the superconductor Ba1-xKxFe2As2

NASA Astrophysics Data System (ADS)

Checkelsky, Joseph; Li, Lu; Chen, G. F.; Luo, J. L.; Wang, N. L.; Ong, N. P.

2009-03-01

We have measured the thermal conductivity κxx and thermal Hall conductivity κxy in single-crystal Ba1-xKxFe2As2. Below the superconducting transition temperature Tc (˜ 30 K), we observe a large peak in the weak-field κxy . A corresponding peak in the zero-field thermal conductivity κxx is also observed. Together, these imply the existence of a large population of hole-like quasiparticles below Tc . In magnetic fields H approaching 35 T, the peaks in κxx are strongly suppressed. A fit of the κxx vs. H curves shows that the data are consistent with the scattering of long-lived quasiparticles by vortices. Using these fits, we have extracted estimates of the quasiparticle mean-free-path, and separated the zero-field electronic and phononic terms κe and κph, respectively. We discuss the origin of the large quasiparticle population in terms a strongly anisotropic gap parameter or a gap with nodes.

Magneto-Optics of Massive Dirac Fermions in Bulk Bi2Se3

NASA Astrophysics Data System (ADS)

Orlita, M.; Piot, B. A.; Martinez, G.; Kumar, N. K. Sampath; Faugeras, C.; Potemski, M.; Michel, C.; Hankiewicz, E. M.; Brauner, T.; Drašar, Č.; Schreyeck, S.; Grauer, S.; Brunner, K.; Gould, C.; Brüne, C.; Molenkamp, L. W.

2015-05-01

We report on magneto-optical studies of Bi2Se3, a representative member of the 3D topological insulator family. Its electronic states in bulk are shown to be well described by a simple Dirac-type Hamiltonian for massive particles with only two parameters: the fundamental band gap and the band velocity. In a magnetic field, this model implies a unique property—spin splitting equal to twice the cyclotron energy: Es=2 Ec. This explains the extensive magnetotransport studies concluding a fortuitous degeneracy of the spin and orbital split Landau levels in this material. The Es=2 Ec match differentiates the massive Dirac electrons in bulk Bi2Se3 from those in quantum electrodynamics, for which Es=Ec always holds.

A novel Ni(4) complex exhibiting microsecond quantum tunneling of the magnetization.

PubMed

Aromí, Guillem; Bouwman, Elisabeth; Burzurí, Enrique; Carbonera, Chiara; Krzystek, J; Luis, Fernando; Schlegel, Christoph; van Slageren, Joris; Tanase, Stefania; Teat, Simon J

2008-01-01

A highly asymmetric Ni(II) cluster [Ni(4)(OH)(OMe)(3)(Hphpz)(4)(MeOH)(3)](MeOH) (1) (H(2)phpz=3-methyl-5-(2-hydroxyphenyl)pyrazole) has been prepared and its structure determined by means of single-crystal X-ray diffraction by using synchrotron radiation. Variable-temperature bulk-magnetization measurements show that the complex exhibits intramolecular-ferromagnetic interactions leading to a spin ground state S=4 with close-lying excited states. Magnetization and high-frequency EPR measurements suggest the presence of sizable Ising-type magnetic anisotropy, with zero-field splitting parameters D=-0.263 cm(-1) and E=0.04 cm(-1) for the spin ground state, and an isotropic g value of 2.25. The presence of both axial and transverse anisotropy was confirmed through low-temperature specific heat determinations down to 300 mK, but no slow relaxation of the magnetization was observed by AC measurements down to 1.8 K. Interestingly, AC susceptibility measurements down to temperatures as low as 23 mK showed no indication of slow relaxation of the magnetization in 1. Thus, despite the presence of an anisotropy barrier (U approximately 4.21 cm(-1) for the purely axial limit), the magnetization relaxation remains extremely fast down to the lowest temperatures. The estimated quantum tunneling rate, Gamma>0.667 MHz, makes this complex a prime candidate for observation of coherent tunneling of the magnetization.

Spin-polarized exciton quantum beating in hybrid organic-inorganic perovskites

NASA Astrophysics Data System (ADS)

Odenthal, Patrick; Talmadge, William; Gundlach, Nathan; Wang, Ruizhi; Zhang, Chuang; Sun, Dali; Yu, Zhi-Gang; Valy Vardeny, Z.; Li, Yan S.

2017-09-01

Hybrid organic-inorganic perovskites have emerged as a new class of semiconductors that exhibit excellent performance as active layers in photovoltaic solar cells. These compounds are also highly promising materials for the field of spintronics due to their large and tunable spin-orbit coupling, spin-dependent optical selection rules, and their predicted electrically tunable Rashba spin splitting. Here we demonstrate the optical orientation of excitons and optical detection of spin-polarized exciton quantum beating in polycrystalline films of the hybrid perovskite CH3NH3PbClxI3-x. Time-resolved Faraday rotation measurement in zero magnetic field reveals unexpectedly long spin lifetimes exceeding 1 ns at 4 K, despite the large spin-orbit couplings of the heavy lead and iodine atoms. The quantum beating of exciton states in transverse magnetic fields shows two distinct frequencies, corresponding to two g-factors of 2.63 and -0.33, which we assign to electrons and holes, respectively. These results provide a basic picture of the exciton states in hybrid perovskites, and suggest they hold potential for spintronic applications.

A NEW PRINCIPLE FOR ELECTROMAGNETIC CATHETER FLOW METERS*

PubMed Central

Kolin, Alexander

1969-01-01

An electromagnetic catheter flow meter is described in which the magnetic field is generated by two parallel bundles of wire carrying equal currents in opposite directions. The electrodes are fixed centrally to the insulated wire bundles that generate the magnetic field. The flow sensor is flexible, resembling a split catheter. The flow transducer is designed to constrict as it is introduced through a branch artery and to expand in the main artery over the span of its diameter. The principle is suitable for branch flow measurement as well as for measurement of flow in a major artery or vein by the same transducer. A special method of guiding the electrode wires results in a zero base line at zero flow for the entire range of diameters accommodating the field generating coil. The electrodes could be used in this configuration with a magnetic field generated by coils external to the patient for blood flow measurements with a catheter of reduced gauge. The transducer can be made smaller in circumference than those employed in other electromagnetic flow measuring catheter devices. This feature is of special value for envisaged clinical uses (percutaneous introduction) to minimize surgical intervention. The velocity sensitivity of the flow transducer is a logarithmic function of the tube diameter. The flow throughout the entire tube cross section contributes to the flow signal. It is sufficient to calibrate the transducer by one measurement in a dielectric conduit of less than maximum diameter. The sensitivity at other diameters follows from a logarithmic plot. The diameter of the blood vessel is outlined by the transducer in radiograms, thus obviating the need for radiopaque materials. The principle was demonstrated by measurements in vitro. Experiments in vivo, derivation of equations, and construction details will be published elsewhere. Images PMID:5257127

On Finsler spacetimes with a timelike Killing vector field

NASA Astrophysics Data System (ADS)

Caponio, Erasmo; Stancarone, Giuseppe

2018-04-01

We study Finsler spacetimes and Killing vector fields taking care of the fact that the generalised metric tensor associated to the Lorentz–Finsler function L is in general well defined only on a subset of the slit tangent bundle. We then introduce a new class of Finsler spacetimes endowed with a timelike Killing vector field that we call stationary splitting Finsler spacetimes. We characterize when a Finsler spacetime with a timelike Killing vector field is locally a stationary splitting. Finally, we show that the causal structure of a stationary splitting is the same of one of two Finslerian static spacetimes naturally associated to the stationary splitting.

Magnetocrystalline anisotropy of Fe2 + ion in silicon- or germanium-substituted yttrium iron garnet at zero temperature

NASA Astrophysics Data System (ADS)

Rudowicz, Czeslaw

1982-01-01

The present work reports the theoretical considerations of the magnetocrystalline anisotropy of ferrous ions induced by tetravalent dopants in yttrium iron garnet. Using the spin Hamiltonian developed earlier by us and the molecular field (h) approximation we derive the cubic anisotropy constants K1 and K2 at zero temperature. We adopt the Alben's et al. model of twelve inequivalent Fe2+ sites in silicon-substituted yttrium iron garnet. Results are given for h = 400, 300, 200 and the spin Hamiltonian parameters with the trigonal Δ = 300, 400, 500, 600, 700 and the nontrigonal crystal field parameter Γ = 200, 300 cm-1. The agreement with the experimental K1 and K2 is quite good. The discussion reveals that the properties of the far and near sites in the two-center model can now be theoretically explained. The theoretical ratios of K1(far) to K1(near) agree well with experiment. Thus our results speak in favor of the orbital singlet rather than the doublet model assumed previously for Fe2+ in silicon- or germanium-substituted yttrium iron garnets.

Use of magnetic circular dichroism to study dinuclear metallohydrolases and the corresponding biomimetics.

PubMed

Larrabee, James A; Schenk, Gerhard; Mitić, Nataša; Riley, Mark J

2015-09-01

Magnetic circular dichroism (MCD) is a convenient technique for providing structural and mechanistic insight into enzymatic systems in solution. The focus of this review is on aspects of geometric and electronic structure that can be determined by MCD, and how this method can further our understanding of enzymatic mechanisms. Dinuclear Co(II) systems that catalyse hydrolytic reactions were selected to illustrate the approach. These systems all contain active sites with similar structures consisting of two Co(II) ions bridged by one or two carboxylates and a water or hydroxide. In most of these active sites one Co(II) is five-coordinate and one is six-coordinate, with differing binding affinities. It is shown how MCD can be used to determine which binding site--five or six-coordinate--has the greater affinity. Importantly, zero-field-splitting data and magnetic exchange coupling constants may be determined from the temperature and field dependence of MCD data. The relevance of these data to the function of the enzymatic systems is discussed.

Detection of the ODMR signal of a nitrogen vacancy centre in nanodiamond in propagating surface plasmons

NASA Astrophysics Data System (ADS)

Al-Baiaty, Zahraa; Cumming, Benjamin P.; Gan, Xiaosong; Gu, Min

2018-02-01

We demonstrate that the optically detected magnetic resonance (ODMR) signal of a nitrogen vacancy (NV) centre can be coupled to propagating surface plasmons for the detection of the NV centre spin states, and of external magnetic fields. By coupling the spin dependent luminescence signal of a NV centre in a nanodiamond (ND) to a chemically synthesized silver nanowire, we demonstrate the readout of the ODMR signal as a reduction in the surface plasmon polariton intensity, with improved contrast in comparison to the emission from the NV centre. Furthermore, on the application of a permanent magnetic field from zero to 13 G, we demonstrate that the Zeeman splitting of the magnetic spin states of the nitrogen vacancy centre ground states can also be detected in the coupled surface plasmons. This is an important step in the development of a compact on-chip information processing system utilizing the nitrogen vacancy in nanodiamond as an on-chip source with efficient magnetometry sensing properties.

Quantum metrology with a single spin-3/2 defect in silicon carbide

NASA Astrophysics Data System (ADS)

Soykal, Oney O.; Reinecke, Thomas L.

We show that implementations for quantum sensing with exceptional sensitivity and spatial resolution can be made using the novel features of semiconductor high half-spin multiplet defects with easy-to-implement optical detection protocols. To achieve this, we use the spin- 3 / 2 silicon monovacancy deep center in hexagonal silicon carbide based on our rigorous derivation of this defect's ground state and of its electronic and optical properties. For a single VSi- defect, we obtain magnetic field sensitivities capable of detecting individual nuclear magnetic moments. We also show that its zero-field splitting has an exceptional strain and temperature sensitivity within the technologically desirable near-infrared window of biological systems. Other point defects, i.e. 3d transition metal or rare-earth impurities in semiconductors, may also provide similar opportunities in quantum sensing due to their similar high spin (S >= 3 / 2) configurations. This work was supported in part by ONR and by the Office of Secretary of Defense, Quantum Science and Engineering Program.

Fine structure and lifetime of dark excitons in transition metal dichalcogenide monolayers

NASA Astrophysics Data System (ADS)

Robert, C.; Amand, T.; Cadiz, F.; Lagarde, D.; Courtade, E.; Manca, M.; Taniguchi, T.; Watanabe, K.; Urbaszek, B.; Marie, X.

2017-10-01

The intricate interplay between optically dark and bright excitons governs the light-matter interaction in transition metal dichalcogenide monolayers. We have performed a detailed investigation of the "spin-forbidden" dark excitons in WSe2 monolayers by optical spectroscopy in an out-of-plane magnetic field Bz. In agreement with the theoretical predictions deduced from group theory analysis, magnetophotoluminescence experiments reveal a zero-field splitting δ =0.6 ±0.1 meV between two dark exciton states. The low-energy state is strictly dipole forbidden (perfectly dark) at Bz=0 , while the upper state is partially coupled to light with z polarization ("gray" exciton). The first determination of the dark neutral exciton lifetime τD in a transition metal dichalcogenide monolayer is obtained by time-resolved photoluminescence. We measure τD˜110 ±10 ps for the gray exciton state, i.e., two orders of magnitude longer than the radiative lifetime of the bright neutral exciton at T =12 K .

Evidence for a new excitation at the interface between a high- T c superconductor and a topological insulator

DOE PAGES

Zareapour, Parisa; Hayat, Alex; Zhao, Shu Yang F.; ...

2014-12-09

In this research, high-temperature superconductors exhibit a wide variety of novel excitations. If contacted with a topological insulator, the lifting of spin rotation symmetry in the surface states can lead to the emergence of unconventional superconductivity and novel particles. In pursuit of this possibility, we fabricated high critical-temperature (T c ~ 85 K) superconductor/topological insulator (Bi₂Sr₂CaCu₂O₈₊ δ/Bi₂Te₂Se) junctions. Below 75 K, a zero-bias conductance peak (ZBCP) emerges in the differential conductance spectra of this junction. The magnitude of the ZBCP is suppressed at the same rate for magnetic fields applied parallel or perpendicular to the junction. Furthermore, it can stillmore » be observed and does not split up to at least 8.5 T. The temperature and magnetic field dependence of the excitation we observe appears to fall outside the known paradigms for a ZBCP.« less

Evaluation of Spin Hamiltonian Parameters and Local Structure of Cu2+-doped Ion in xK2SO4-(50 - x)Na2SO4-50ZnSO4 Glasses with Various K2SO4 Concentrations

NASA Astrophysics Data System (ADS)

Ding, Ch.-Ch.; Wu, Sh.-Y.; Xu, Y.-Q.; Zhang, L.-J.; He, J.-J.

2018-03-01

The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d9 clusters for Cu2+ in xK2SO4-(50 - x)Na2SO4-50ZnSO4 glasses with various K2SO4 concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO6]10- clusters are found to undergo significant elongations of about 17% due to the Jahn-Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.

Mapping the evolving strain field during continental breakup from crustal anisotropy in the Afar Depression

PubMed Central

Keir, Derek; Belachew, M.; Ebinger, C.J.; Kendall, J.-M.; Hammond, J.O.S.; Stuart, G.W.; Ayele, A.; Rowland, J.V.

2011-01-01

Rifting of the continents leading to plate rupture occurs by a combination of mechanical deformation and magma intrusion, yet the spatial and temporal scales over which these alternate mechanisms localize extensional strain remain controversial. Here we quantify anisotropy of the upper crust across the volcanically active Afar Triple Junction using shear-wave splitting from local earthquakes to evaluate the distribution and orientation of strain in a region of continental breakup. The pattern of S-wave splitting in Afar is best explained by anisotropy from deformation-related structures, with the dramatic change in splitting parameters into the rift axis from the increased density of dyke-induced faulting combined with a contribution from oriented melt pockets near volcanic centres. The lack of rift-perpendicular anisotropy in the lithosphere, and corroborating geoscientific evidence of extension dominated by dyking, provide strong evidence that magma intrusion achieves the majority of plate opening in this zone of incipient plate rupture. PMID:21505441

Majorana Kramers pair in a nematic vortex

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

Wu, Fengcheng; Martin, Ivar

A time-reversal (TR) invariant topological superconductor is characterized by a Kramers pair of Majorana zero-energy modes on boundaries and in a core of a TR invariant vortex. A vortex defect that preserves TR symmetry has remained primarily of theoretical interest, since typically a magnetic field, which explicitly breaks TR, needs to be applied to create vortices in superconductors. In this paper, we show that an odd-parity topological superconductor with a nematic pairing order parameter can host a nematic vortex that preserves TR symmetry and binds a Majorana Kramers pair. Such a nematic superconductor could be realized in metal-doped Bi 2Semore » 3, as suggested by recent experiments. We provide an analytic solution for the zero modes in a continuous nematic vortex. In lattice, crystalline anisotropy can pin the two-component order parameter along high-symmetry directions. We show that a discrete nematic vortex, which forms when three nematic domains meet, also supports a TR pair of Majorana modes. Lastly, we discuss possible experiments to probe the zero modes.« less

Majorana Kramers pair in a nematic vortex

DOE PAGES

Wu, Fengcheng; Martin, Ivar

2017-06-05

A time-reversal (TR) invariant topological superconductor is characterized by a Kramers pair of Majorana zero-energy modes on boundaries and in a core of a TR invariant vortex. A vortex defect that preserves TR symmetry has remained primarily of theoretical interest, since typically a magnetic field, which explicitly breaks TR, needs to be applied to create vortices in superconductors. In this paper, we show that an odd-parity topological superconductor with a nematic pairing order parameter can host a nematic vortex that preserves TR symmetry and binds a Majorana Kramers pair. Such a nematic superconductor could be realized in metal-doped Bi 2Semore » 3, as suggested by recent experiments. We provide an analytic solution for the zero modes in a continuous nematic vortex. In lattice, crystalline anisotropy can pin the two-component order parameter along high-symmetry directions. We show that a discrete nematic vortex, which forms when three nematic domains meet, also supports a TR pair of Majorana modes. Lastly, we discuss possible experiments to probe the zero modes.« less

Electronic zero-point fluctuation forces inside circuit components

PubMed Central

Leonhardt, Ulf

2018-01-01

One of the most intriguing manifestations of quantum zero-point fluctuations are the van der Waals and Casimir forces, often associated with vacuum fluctuations of the electromagnetic field. We study generalized fluctuation potentials acting on internal degrees of freedom of components in electrical circuits. These electronic Casimir-like potentials are induced by the zero-point current fluctuations of any general conductive circuit. For realistic examples of an electromechanical capacitor and a superconducting qubit, our results reveal the possibility of tunable forces between the capacitor plates, or the level shifts of the qubit, respectively. Our analysis suggests an alternative route toward the exploration of Casimir-like fluctuation potentials, namely, by characterizing and measuring them as a function of parameters of the environment. These tunable potentials may be useful for future nanoelectromechanical and quantum technologies. PMID:29719863

A quantum mechanical approach to establishing the magnetic field orientation from a maser Zeeman profile

NASA Astrophysics Data System (ADS)

Green, J. A.; Gray, M. D.; Robishaw, T.; Caswell, J. L.; McClure-Griffiths, N. M.

2014-06-01

Recent comparisons of magnetic field directions derived from maser Zeeman splitting with those derived from continuum source rotation measures have prompted new analysis of the propagation of the Zeeman split components, and the inferred field orientation. In order to do this, we first review differing electric field polarization conventions used in past studies. With these clearly and consistently defined, we then show that for a given Zeeman splitting spectrum, the magnetic field direction is fully determined and predictable on theoretical grounds: when a magnetic field is oriented away from the observer, the left-hand circular polarization is observed at higher frequency and the right-hand polarization at lower frequency. This is consistent with classical Lorentzian derivations. The consequent interpretation of recent measurements then raises the possibility of a reversal between the large-scale field (traced by rotation measures) and the small-scale field (traced by maser Zeeman splitting).

Bunch Splitting Simulations for the JLEIC Ion Collider Ring

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

Satogata, Todd J.; Gamage, Randika

2016-05-01

We describe the bunch splitting strategies for the proposed JLEIC ion collider ring at Jefferson Lab. This complex requires an unprecedented 9:6832 bunch splitting, performed in several stages. We outline the problem and current results, optimized with ESME including general parameterization of 1:2 bunch splitting for JLEIC parameters.

Thermodynamics of ferrofluids in applied magnetic fields.

PubMed

Elfimova, Ekaterina A; Ivanov, Alexey O; Camp, Philip J

2013-10-01

The thermodynamic properties of ferrofluids in applied magnetic fields are examined using theory and computer simulation. The dipolar hard sphere model is used. The second and third virial coefficients (B(2) and B(3)) are evaluated as functions of the dipolar coupling constant λ, and the Langevin parameter α. The formula for B(3) for a system in an applied field is different from that in the zero-field case, and a derivation is presented. The formulas are compared to results from Mayer-sampling calculations, and the trends with increasing λ and α are examined. Very good agreement between theory and computation is demonstrated for the realistic values λ≤2. The analytical formulas for the virial coefficients are incorporated in to various forms of virial expansion, designed to minimize the effects of truncation. The theoretical results for the equation of state are compared against results from Monte Carlo simulations. In all cases, the so-called logarithmic free energy theory is seen to be superior. In this theory, the virial expansion of the Helmholtz free energy is re-summed in to a logarithmic function. Its success is due to the approximate representation of high-order terms in the virial expansion, while retaining the exact low-concentration behavior. The theory also yields the magnetization, and a comparison with simulation results and a competing modified mean-field theory shows excellent agreement. Finally, the putative field-dependent critical parameters for the condensation transition are obtained and compared against existing simulation results for the Stockmayer fluid. Dipolar hard spheres do not undergo the transition, but the presence of isotropic attractions, as in the Stockmayer fluid, gives rise to condensation even in zero field. A comparison of the relative changes in critical parameters with increasing field strength shows excellent agreement between theory and simulation, showing that the theoretical treatment of the dipolar interactions is robust.

Computational split-field finite-difference time-domain evaluation of simplified tilt-angle models for parallel-aligned liquid-crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Álvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2018-03-01

Simplified analytical models with predictive capability enable simpler and faster optimization of the performance in applications of complex photonic devices. We recently demonstrated the most simplified analytical model still showing predictive capability for parallel-aligned liquid crystal on silicon (PA-LCoS) devices, which provides the voltage-dependent retardance for a very wide range of incidence angles and any wavelength in the visible. We further show that the proposed model is not only phenomenological but also physically meaningful, since two of its parameters provide the correct values for important internal properties of these devices related to the birefringence, cell gap, and director profile. Therefore, the proposed model can be used as a means to inspect internal physical properties of the cell. As an innovation, we also show the applicability of the split-field finite-difference time-domain (SF-FDTD) technique for phase-shift and retardance evaluation of PA-LCoS devices under oblique incidence. As a simplified model for PA-LCoS devices, we also consider the exact description of homogeneous birefringent slabs. However, we show that, despite its higher degree of simplification, the proposed model is more robust, providing unambiguous and physically meaningful solutions when fitting its parameters.

Investigation in the Langley 19-foot Pressure Tunnel of Two Wings of NACA 65-210 and 64-210 Airfoil Sections with Various Type Flaps

NASA Technical Reports Server (NTRS)

Sivells, James C; Spooner, Stanley H

1949-01-01

Report presents the results of an investigation conducted in the Langley 19-foot pressure tunnel to determine the maximum lift and stalling characteristics of two thin wings equipped with several types of flaps. Split, single slotted, and double slotted flaps were tested on one wing which had NACA 65-210 airfoil sections and split and double slotted flaps were tested on the other, which had NACA 64-210 airfoil sections. Both wings were zero sweep, an aspect ratio of 9, and a taper ratio of 0.4.

Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes

DOE PAGES

Bucinsky, Lukas; Breza, Martin; Lee, Wei-Tsung; ...

2017-04-05

High-oxidation state metal complexes with multiply bonded ligands are of great interest for both their reactivity as well as their fundamental bonding properties. This paper reports a combined spectroscopic and theoretical investigation into the effect of the apical multiply bonded ligand on the spin state preferences of three-fold symmetric iron(IV) complexes with tris(carbene) donor ligands. Specifically, singlet (S = 0) nitrido [{PhB(Im R) 3}FeN], R = tBu (1), Mes (mesityl, 2) and the related triplet (S = 1) imido complexes, [{PhB(Im R) 3}Fe(NR')] +, R = Mes, R' = Ad (1- adamantyl, 3), tBu (4), have been investigated by electronicmore » absorption and Mössbauer effect spectroscopies. For comparison, two other Fe(IV) nitrido complexes, [(TIMEN Ar)FeN] +, (TIMEN Ar = tris[2-(3-aryl-imidazol-2-ylidene)ethyl]amine; Ar = Xyl (xylyl), Mes), have been investigated by 57Fe Mössbauer spectroscopy, including applied-field measurements. The paramagnetic imido complexes 3 and 4 were also studied by magnetic susceptibility measurements (for 3) and paramagnetic resonance spectroscopy: high-frequency and -field electron paramagnetic resonance (HFEPR) (for 3 and 4) and frequency-domain Fouriertransform (FD-FT) THz EPR (for 3), which reveal their zero-field splitting (zfs) parameters. Experimentally correlated theoretical studies comprising ligand-field theory (LFT) and quantum chemical theory (QCT), the latter including both density functional theory (DFT) and ab initio methods reveal the key role played by the Fe3 d z2 (a1) orbital in these systems: the nature of its interaction with the nitrido or imido ligand dictates the spin state preference of the complex. Lastly, the ability to tune the spin state through the energy and nature of a single orbital has general relevance to the factors controlling spin states in complexes with applicability as single molecule devices.« less

Crystal-field effects in fluoride crystals for optical refrigeration

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

Hehlen, Markus P

2010-01-01

The field of optical refrigeration of rare-earth-doped solids has recently seen an important breakthrough. The cooling of a YLiF{sub 4} (YLF) crystal doped with 5 mol% Yb3+ to 155 K by Seletskiy et al [NPhot] has surpassed the lowest temperatures ({approx}170 K for {approx}100 mW cooling capacity) that are practical with commercial multi-stage thermoelectric coolers (TEC) [Glaister]. This record performance has advanced laser cooling into an application relevant regime and has put first practical optical cryocoolers within reach. The result is also relevant from a material perspective since for the first time, an Yb3+-doped crystal has outperformed an Yb3+-doped glass.more » The record temperature of 208 K was held by the Yb3+-doped fluorozirconate glass ZBLAN. Advanced purification and glass fabrication methods currently under development are expected to also advance ZBLAN:Yb3+ to sub-TEC temperatures. However, recent achievements with YLF:Yb3+ illustrate that crystalline materials may have two potentially game-changing advantajes over glassy materials. First, the crystalline environment reduces the inhomogeneous broadening of the Yb3+ electronic transitions as compared to a glassy matrix. The respective sharpening of the crystal-field transitions increases the peak absorption cross section at the laser excitation wavelength and allows for more efficient pumping of the Yb3+ ions, particularly at low temperatures. Second, many detrimental impurities present in the starting materials tend to be excluded from the crystal during its slow growth process, in contrast to a glass where all impurities present in the starting materials are included in the glass when it is formed by temperature quenching a melt. The ultra high purity required for laser cooling materials [PRB] therefore may be easier to realize in crystals than in glasses. Laser cooling occurs by laser excitation of a rare-earth ion followed by anti-Stokes luminescence. Each such laser-cooling cycle extracts thermal energy from the solid and carries it away as high-entropy light, thereby cooling the material. In the ideal case, the respective laser-cooling power is given by the pump wavelength ({lambda}{sub p}), the mean fluorescence wavelength ({bar {lambda}}{sub L}), and the absorption coefficient (a{sub r}) of the pumped transition. These quantities are solely determined by crystal field interactions. On one hand, a large crystal-field splitting offers a favorably large difference of {lambda}{sub p} - {bar {lambda}}{sub L} and thus a high cooling efficiency {eta}{sub cool} = ({lambda}{sub p} - {bar {lambda}}{sub L})/{bar {lambda}}{sub L}. On the other hand, a small crystal-field splitting offers a high thermal population (n{sub i}) of the initial state of the pumped transition, giving a high pump absorption coefficient and thus high laser cooling power, particularly at low temperatures. A quantitative description of crystal-field interactions is therefore critical to the understanding and optimization of optical refrigeration. In the case of Yb3+ as the laser cooling ion, however, development of a crystal-field model is met with substantial difficulties. First, Yb3+ has only two 4/multiplets, {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2}, which lead to at most 7 crystal-field levels. This makes it difficult, and in some cases impossible, to evaluate the crystal-field Hamiltonian, which has at least 4 parameters for any Yb3+ point symmety lower than cubic. Second, {sup 2}F{sub 7/2}{leftrightarrow}{sup 2}F{sub 5/2} transitions exhibit an exceptionally strong electron-phonon coupling compared to 4f transitions of other rare earths. This makes it difficult to distinguish electronic from vibronic transitions in the absorption and luminescence spectra and to reliably identify the crystal-field levels. Yb3+ crystal-field splittings reported in the literature should thus generally be viewed with caution. This paper explores the effects of crystal-field interactions on the laser cooling performance of Yb3+-doped fluoride crystals. It is shown that the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets of Yb3+ can be estimated from crystal-field splittings of other rare-earth-doped fluoride crystals. This approach takes advantage of an extensive body of experimental work from which Yb3+ doped fluoride crystals with favorable laser cooling properties might be identified. Section 2 reviews the crystal-field splitting of the 4f electronic states and introduces the crystal-field strength as a means to predict the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets. Section 3 illustrates the effect of the total {sup 2}F{sub 7/2} crystal field splitting on the laser cooling power. Finally, Section 4 compiles literature data on crystal-field splittings in fluoride crystals from which the {sup 2}F{sub 7/2} splitting is predicted.« less

The electronegativity equalization method and the split charge equilibration applied to organic systems: parametrization, validation, and comparison.

PubMed

Verstraelen, Toon; Van Speybroeck, Veronique; Waroquier, Michel

2009-07-28

An extensive benchmark of the electronegativity equalization method (EEM) and the split charge equilibration (SQE) model on a very diverse set of organic molecules is presented. These models efficiently compute atomic partial charges and are used in the development of polarizable force fields. The predicted partial charges that depend on empirical parameters are calibrated to reproduce results from quantum mechanical calculations. Recently, SQE is presented as an extension of the EEM to obtain the correct size dependence of the molecular polarizability. In this work, 12 parametrization protocols are applied to each model and the optimal parameters are benchmarked systematically. The training data for the empirical parameters comprise of MP2/Aug-CC-pVDZ calculations on 500 organic molecules containing the elements H, C, N, O, F, S, Cl, and Br. These molecules have been selected by an ingenious and autonomous protocol from an initial set of almost 500,000 small organic molecules. It is clear that the SQE model outperforms the EEM in all benchmark assessments. When using Hirshfeld-I charges for the calibration, the SQE model optimally reproduces the molecular electrostatic potential from the ab initio calculations. Applications on chain molecules, i.e., alkanes, alkenes, and alpha alanine helices, confirm that the EEM gives rise to a divergent behavior for the polarizability, while the SQE model shows the correct trends. We conclude that the SQE model is an essential component of a polarizable force field, showing several advantages over the original EEM.

A nonlinear dynamics for the scalar field in Randers spacetime

NASA Astrophysics Data System (ADS)

Silva, J. E. G.; Maluf, R. V.; Almeida, C. A. S.

2017-03-01

We investigate the properties of a real scalar field in the Finslerian Randers spacetime, where the local Lorentz violation is driven by a geometrical background vector. We propose a dynamics for the scalar field by a minimal coupling of the scalar field and the Finsler metric. The coupling is intrinsically defined on the Randers spacetime, and it leads to a non-canonical kinetic term for the scalar field. The nonlinear dynamics can be split into a linear and nonlinear regimes, which depend perturbatively on the even and odd powers of the Lorentz-violating parameter, respectively. We analyze the plane-waves solutions and the modified dispersion relations, and it turns out that the spectrum is free of tachyons up to second-order.

Review of high field superconducting magnet development at Oxford Instruments

NASA Astrophysics Data System (ADS)

Brown, F. J.; Kerley, N. W.; Knox, R. B.; Timms, K. W.

1996-02-01

Present commercial development activity for high field superconducting magnets is focused clearly in three directions. The development of solenoid magnets with flux densities in excess of 20 T, the production of highly homogeneous fields at 20 T, and development of large split pair magnets in excess of 12 T. Recent developments in split pair technology allows us to build magnets with useful access, transverse to the field, up to 15 T. Compact solenoid magnets to 20 T have been available commercially for over 3 yr now with a progressive increment in bore size, providing associated engineering challenges. A 20 T solenoid with a clear bore of 52 mm and a homogeneity of 0.1% is now a standard production item. Improving the homogeneity to the 1 ppm level involves re-assessment of critical design parameters and choice of materials. Our development over the last twelve months has culminated in a 20 T solenoid with base homogeneity of 5 ppm over a 10 mm sphere. In order to realise persistent fields in excess of 20 T, requires the priority on development to be switched from engineering and manufacturing towards material development and enhancement. We present the findings and conclusions of our high field development program over the last 3 yr, together with an outline of our requirements and activities in materials and engineering leading to the next step in high field magnet manufacture, using conventional low Tc conductors.

Temporal and frequency characteristics of a narrow light beam in sea water.

PubMed

Luchinin, Alexander G; Kirillin, Mikhail Yu

2016-09-20

The structure of a light field in sea water excited by a unidirectional point-sized pulsed source is studied by Monte Carlo technique. The pulse shape registered at the distances up to 120 m from the source on the beam axis and in its axial region is calculated with a time resolution of 1 ps. It is shown that with the increase of the distance from the source the pulse splits into two parts formed by components of various scattering orders. Frequency and phase responses of the beam are calculated by means of the fast Fourier transform. It is also shown that for higher frequencies, the attenuation of harmonic components of the field is larger. In the range of parameters corresponding to pulse splitting on the beam axis, the attenuation of harmonic components in particular spectral ranges exceeds the attenuation predicted by Bouguer law. In this case, the transverse distribution of the amplitudes of these harmonics is minimal on the beam axis.

Method of orthogonally splitting imaging pose measurement

NASA Astrophysics Data System (ADS)

Zhao, Na; Sun, Changku; Wang, Peng; Yang, Qian; Liu, Xintong

2018-01-01

In order to meet the aviation's and machinery manufacturing's pose measurement need of high precision, fast speed and wide measurement range, and to resolve the contradiction between measurement range and resolution of vision sensor, this paper proposes an orthogonally splitting imaging pose measurement method. This paper designs and realizes an orthogonally splitting imaging vision sensor and establishes a pose measurement system. The vision sensor consists of one imaging lens, a beam splitter prism, cylindrical lenses and dual linear CCD. Dual linear CCD respectively acquire one dimensional image coordinate data of the target point, and two data can restore the two dimensional image coordinates of the target point. According to the characteristics of imaging system, this paper establishes the nonlinear distortion model to correct distortion. Based on cross ratio invariability, polynomial equation is established and solved by the least square fitting method. After completing distortion correction, this paper establishes the measurement mathematical model of vision sensor, and determines intrinsic parameters to calibrate. An array of feature points for calibration is built by placing a planar target in any different positions for a few times. An terative optimization method is presented to solve the parameters of model. The experimental results show that the field angle is 52 °, the focus distance is 27.40 mm, image resolution is 5185×5117 pixels, displacement measurement error is less than 0.1mm, and rotation angle measurement error is less than 0.15°. The method of orthogonally splitting imaging pose measurement can satisfy the pose measurement requirement of high precision, fast speed and wide measurement range.

Interface motion in a two-dimensional Ising model with a field

NASA Astrophysics Data System (ADS)

Devillard, Pierre

1991-01-01

We determine by Monte Carlo simulations the width of an interface between the stable phase and the metastable phase in a two-dimensional Ising model with a magnetic field, in the case of nonconversed order parameter (Glauber dynamics). At zero temperature, the width increases as t β with β-1/3, as predicted by earlier theories. As temperature increases, the value of the effective exponent β that we measure decreases toward the value 1/4, which is the value in the absence of magnetic field.

Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction

DTIC Science & Technology

2008-07-29

studied are set to zero and a constrained MM minimization is performed. It is critical that all other force field parameters (for bonds, angles, charges...identifying the symmetry of the problem and tailoring the parameterization accordingly may be critical . For Phase I, the above described procedure was...tasks and the evaluation of their properties. The tremendous number of possible ionic liquids that are within reach makes it critical that a reliable

Charged perfect fluid tori in strong central gravitational and dipolar magnetic fields

NASA Astrophysics Data System (ADS)

Kovář, Jiří; Slaný, Petr; Cremaschini, Claudio; Stuchlík, Zdeněk; Karas, Vladimír; Trova, Audrey

2016-06-01

We study electrically charged perfect fluid toroidal structures encircling a spherically symmetric gravitating object with Schwarzschild spacetime geometry and endowed with a dipole magnetic field. The work represents a direct continuation of our previous general-relativistic studies of electrically charged fluid in the approximation of zero conductivity, which formed tori around a Reissner-Nordström black hole or a Schwarzschild black hole equipped with a test electric charge and immersed in an asymptotically uniform magnetic field. After a general introduction of the zero-conductivity charged fluid model, we discuss a variety of possible topologies of the toroidal fluid configurations. Along with the charged equatorial tori forming interesting coupled configurations, we demonstrate the existence of the off-equatorial tori, for which the dipole type of magnetic field seems to be necessary. We focus on orbiting structures with constant specific angular momentum and on those in permanent rigid rotation. We stress that the general analytical treatment developed in our previous works is enriched here by the integrated form of the pressure equations. To put our work into an astrophysical context, we identify the central object with an idealization of a nonrotating magnetic neutron star. Constraining ranges of its parameters and also parameters of the circling fluid, we discuss a possible relevance of the studied toroidal structures, presenting along with their topology also pressure, density, temperature and charge profiles.

Stress aligned cracks in the upper crust of the Val d'Agri region as revealed by shear wave splitting

NASA Astrophysics Data System (ADS)

Pastori, M.; Piccinini, D.; Margheriti, L.; Improta, L.; Valoroso, L.; Chiaraluce, L.; Chiarabba, C.

2009-10-01

Shear wave splitting is measured at 19 seismic stations of a temporary network deployed in the Val d'Agri area to record low-magnitude seismic activity. The splitting results suggest the presence of an anisotropic layer between the surface and 15 km depth (i.e. above the hypocentres). The dominant fast polarization direction strikes NW-SE parallel to the Apennines orogen and is approximately parallel to the maximum horizontal stress in the region, as well as to major normal faults bordering the Val d'Agri basin. The size of the normalized delay times in the study region is about 0.01 s km-1, suggesting 4.5 percent shear wave velocity anisotropy (SWVA). On the south-western flank of the basin, where most of the seismicity occurs, we found larger values of normalized delay times, between 0.017 and 0.02 s km-1. These high values suggest a 10 percent of SWVA. These parameters agree with an interpretation of seismic anisotropy in terms of the Extensive-Dilatancy Anisotropy (EDA) model that considers the rock volume pervaded by fluid-saturated microcracks aligned by the active stress field. Anisotropic parameters are consistent with borehole image logs from deep exploration wells in the Val d'Agri oil field that detect pervasive fluid saturated microcracks striking NW-SE parallel to the maximum horizontal stress in the carbonatic reservoir. However, we cannot rule out the contribution of aligned macroscopic fractures because the main Quaternary normal faults are parallel to the maximum horizontal stress. The strong anisotropy and the seismicity concentration testify for active deformation along the SW flank of the basin.

A loosely-coupled scheme for the interaction between a fluid, elastic structure and poroelastic material

NASA Astrophysics Data System (ADS)

Bukač, M.

2016-05-01

We model the interaction between an incompressible, viscous fluid, thin elastic structure and a poroelastic material. The poroelastic material is modeled using the Biot's equations of dynamic poroelasticity. The fluid, elastic structure and the poroelastic material are fully coupled, giving rise to a nonlinear, moving boundary problem with novel energy estimates. We present a modular, loosely coupled scheme where the original problem is split into the fluid sub-problem, elastic structure sub-problem and poroelasticity sub-problem. An energy estimate associated with the stability of the scheme is derived in the case where one of the coupling parameters, β, is equal to zero. We present numerical tests where we investigate the effects of the material properties of the poroelastic medium on the fluid flow. Our findings indicate that the flow patterns highly depend on the storativity of the poroelastic material and cannot be captured by considering fluid-structure interaction only.

Modulation of magnetism in transition-metal-doped two-dimensional GeS

NASA Astrophysics Data System (ADS)

Zhang, Chunxiao; Yang, Baoyong; Tang, Chao; He, Chaoyu; Li, Jin; Ouyang, Tao; Zhong, Jianxin

2018-06-01

Two-dimensional (2D) germanium monosulfide (GeS) is a promising nanoelectronic material with a desirable band gap, high carrier mobility, and anisotropic structures. In this work, we present a density functional theory study on the magnetism of 3d TM (TM  =  Fe, Co and Ni)-doped 2D GeS. We find that the TM atoms strongly bond to the GeS sheet with quite sizable binding energies due to the sp 3-like hybridization of 2D GeS. The Fe- and Co-doped GeS show nonzero magnetic ground states. Hubbard parameter U hardly affects the magnetic moment when U is no more than 6 eV. In particular, substitutional Fe (Fe@GeS) and substitutional Co (Co@GeS) present high-spin states with 4 μ B and 3 μ B. The magnetism of TM-doped 2D GeS mainly arises from the crystal field splitting and spin exchange splitting of TM-3d orbitals. The magnetic and electronic properties of the Fe@GeS and Co@GeS systems can be easily controlled in a small vertical external electric field (E ext). The underlying mechanism of spin crossover is that E ext affects the crystal field splitting and then shifts the relative positions of 3d orbitals, which tunes the spin configurations. These results render monolayer GeS a promising 2D material for applications in future spintronics.

Horizon feedback inflation

NASA Astrophysics Data System (ADS)

Fairbairn, Malcolm; Markkanen, Tommi; Rodriguez Roman, David

2018-04-01

We consider the effect of the Gibbons-Hawking radiation on the inflaton in the situation where it is coupled to a large number of spectator fields. We argue that this will lead to two important effects - a thermal contribution to the potential and a gradual change in parameters in the Lagrangian which results from thermodynamic and energy conservation arguments. We present a scenario of hilltop inflation where the field starts trapped at the origin before slowly experiencing a phase transition during which the field extremely slowly moves towards its zero temperature expectation value. We show that it is possible to obtain enough e-folds of expansion as well as the correct spectrum of perturbations without hugely fine-tuned parameters in the potential (albeit with many spectator fields). We also comment on how initial conditions for inflation can arise naturally in this situation.

Theoretical characterization and design of highly efficient iridium (III) complexes bearing guanidinate ancillary ligand.

PubMed

Ren, Xin-Yao; Wu, Yong; Wang, Li; Zhao, Liang; Zhang, Min; Geng, Yun; Su, Zhong-Min

2014-06-01

A density functional theory/time-depended density functional theory was used to investigate the synthesized guanidinate-based iridium(III) complex [(ppy)2Ir{(N(i)Pr)2C(NPh2)}] (1) and two designed derivatives (2 and 3) to determine the influences of different cyclometalated ligands on photophysical properties. Except the conventional discussions on geometric relaxations, absorption and emission properties, many relevant parameters, including spin-orbital coupling (SOC) matrix elements, zero-field-splitting parameters, radiative rate constants (kr) and so on were quantitatively evaluated. The results reveal that the replacement of the pyridine ring in the 2-phenylpyridine ligand with different diazole rings cannot only enlarge the frontier molecular orbital energy gaps, resulting in a blue-shift of the absorption spectra for 2 and 3, but also enhance the absorption intensity of 3 in the lower-energy region. Furthermore, it is intriguing to note that the photoluminescence quantum efficiency (ΦPL) of 3 is significantly higher than that of 1. This can be explained by its large SOC value(n=3-4) and large transition electric dipole moment (μS3), which could significantly contribute to a larger kr. Besides, compared with 1, the higher emitting energy (ET1) and smaller (2) value for 3 may lead to a smaller non-radiative decay rate. Additionally, the detailed results also indicate that compared to 1 with pyridine ring, 3 with imidazole ring performs a better hole injection ability. Therefore, the designed complex 3 can be expected as a promising candidate for highly efficient guanidinate-based phosphorescence emitter for OLEDs applications. Copyright © 2014 Elsevier Inc. All rights reserved.

Pharmaceutical counselling about different types of tablet-splitting methods based on the results of weighing tests and mechanical development of splitting devices.

PubMed

Somogyi, O; Meskó, A; Csorba, L; Szabó, P; Zelkó, R

2017-08-30

The division of tablets and adequate methods of splitting them are a complex problem in all sectors of health care. Although tablet-splitting is often required, this procedure can be difficult for patients. Four tablets were investigated with different external features (shape, score-line, film-coat and size). The influencing effect of these features and the splitting methods was investigated according to the precision and "weight loss" of splitting techniques. All four types of tablets were halved by four methods: by hand, with a kitchen knife, with an original manufactured splitting device and with a modified tablet splitter based on a self-developed mechanical model. The mechanical parameters (harness and friability) of the products were measured during the study. The "weight loss" and precision of splitting methods were determined and compared by statistical analysis. On the basis of the results, the external features (geometry), the mechanical parameters of tablets and the mechanical structure of splitting devices can influence the "weight loss" and precision of tablet-splitting. Accordingly, a new decision-making scheme was developed for the selection of splitting methods. In addition, the skills of patients and the specialties of therapy should be considered so that pharmaceutical counselling can be more effective regarding tablet-splitting. Copyright © 2017 Elsevier B.V. All rights reserved.

Characteristic density contrasts in the evolution of superclusters. The case of A2142 supercluster

NASA Astrophysics Data System (ADS)

Gramann, Mirt; Einasto, Maret; Heinämäki, Pekka; Teerikorpi, Pekka; Saar, Enn; Nurmi, Pasi; Einasto, Jaan

2015-09-01

Context. The formation and evolution of the cosmic web in which galaxy superclusters are the largest relatively isolated objects is governed by a gravitational attraction of dark matter and antigravity of dark energy (cosmological constant). Aims: We study the characteristic density contrasts in the spherical collapse model for several epochs in the supercluster evolution and their dynamical state. Methods: We analysed the density contrasts for the turnaround, future collapse, and zero gravity in different ΛCDM models and applied them to study the dynamical state of the supercluster A2142 with an almost spherical main body, making it a suitable test object to apply a model that assumes sphericity. Results: We present characteristic density contrasts in the spherical collapse model for different cosmological parameters. The analysis of the supercluster A2142 shows that its high-density core has already started to collapse. The zero-gravity line outlines the outer region of the main body of the supercluster. In the course of future evolution, the supercluster may split into several collapsing systems. Conclusions: The various density contrasts presented in our study and applied to the supercluster A2142 offer a promising way to characterise the dynamical state and expected future evolution of galaxy superclusters.

Optical properties of iron oxides

NASA Astrophysics Data System (ADS)

Musfeldt, Janice

2012-02-01

Magnetoelectric coupling in materials like multiferroics, dilute magnetic semiconductors, and topological insulators has attracted a great deal of attention, although most work has been done in the static limit. Optical spectroscopy offers a way to investigate the dynamics of charge-spin coupling, an area where there has been much less effort. Using these techniques, we discovered that charge fluctuation in LuFe2O4, the prototypical charge ordered multiferroic, has an onset well below the charge ordering transition, supporting the ``order by fluctuation'' mechanism for the development of charge order superstructure. Bragg splitting and large magneto-optical contrast suggest a low temperature monoclinic distortion that can be driven by both temperature and magnetic field. At the same time, dramatic splitting of the LuO2 layer phonon mode is attributed to charge-rich/poor proximity effects, and its temperature dependence reveals the antipolar nature of the W layer pattern. Using optical techniques, we also discovered that α-Fe2O3, a chemically-similar parent compound and one of the world's oldest and most iconic antiferromagnetic materials, appears more red in applied magnetic field than in zero field conditions. This effect is driven by a field-induced reorientation of magnetic order. The oscillator strength lost in the color band is partially transferred to the magnon side band, a process that also reveals a new exciton pattern induced by the modified exchange coupling. Analysis of the exciton pattern exposes C2/c monoclinic symmetry in the high field phase of hematite. Taken together, these findings advance our understanding of iron-based materials under extreme conditions. [4pt] Collaborators include: X. S. Xu, P. Chen, Q. -C. Sun, T. V. Brinzari (Tennessee); S. McGill (NHMFL); J. De Groot, M. Angst, R. P. Hermann (Julich); A. D. Christianson, B. C. Sales, D. Mandrus (ORNL); A. P. Litvinchuk (Houston); J. -W. Kim (Ames); Z. Islam (Argonne); N. Lee, S. -W. Cheong (Rutgers).

Improved sensitivity for W-band Gd(III)-Gd(III) and nitroxide-nitroxide DEER measurements with shaped pulses

NASA Astrophysics Data System (ADS)

Bahrenberg, Thorsten; Rosenski, Yael; Carmieli, Raanan; Zibzener, Koby; Qi, Mian; Frydman, Veronica; Godt, Adelheid; Goldfarb, Daniella; Feintuch, Akiva

2017-10-01

Chirp and shaped pulses have been recently shown to be highly advantageous for improving sensitivity in DEER (double electron-electron resonance, also called PELDOR) measurements due to their large excitation bandwidth. The implementation of such pulses for pulse EPR has become feasible due to the availability of arbitrary waveform generators (AWG) with high sampling rates to support pulse shaping for pulses with tens of nanoseconds duration. Here we present a setup for obtaining chirp pulses on our home-built W-band (95 GHz) spectrometer and demonstrate its performance on Gd(III)-Gd(III) and nitroxide-nitroxide DEER measurements. We carried out an extensive optimization procedure on two model systems, Gd(III)-PyMTA-spacer-Gd(III)-PyMTA (Gd-PyMTA ruler; zero-field splitting parameter (ZFS) D ∼ 1150 MHz) as well as nitroxide-spacer-nitroxide (nitroxide ruler) to evaluate the applicability of shaped pulses to Gd(III) complexes and nitroxides, which are two important classes of spin labels used in modern DEER/EPR experiments. We applied our findings to ubiquitin, doubly labeled with Gd-DOTA-monoamide (D ∼ 550 MHz) as a model for a system with a small ZFS. Our experiments were focused on the questions (i) what are the best conditions for positioning of the detection frequency, (ii) which pump pulse parameters (bandwidth, positioning in the spectrum, length) yield the best signal-to-noise ratio (SNR) improvements when compared to classical DEER, and (iii) how do the sample's spectral parameters influence the experiment. For the nitroxide ruler, we report an improvement of up to 1.9 in total SNR, while for the Gd-PyMTA ruler the improvement was 3.1-3.4 and for Gd-DOTA-monoamide labeled ubiquitin it was a factor of 1.8. Whereas for the Gd-PyMTA ruler the two setups pump on maximum and observe on maximum gave about the same improvement, for Gd-DOTA-monoamide a significant difference was found. In general the choice of the best set of parameters depends on the D parameter of the Gd(III) complex.

Spin-dependent Seebeck effects in a graphene superlattice p-n junction with different shapes

NASA Astrophysics Data System (ADS)

Zhou, Benhu; Zhou, Benliang; Yao, Yagang; Zhou, Guanghui; Hu, Ming

2017-10-01

We theoretically calculate the spin-dependent transmission probability and spin Seebeck coefficient for a zigzag-edge graphene nanoribbon p-n junction with periodically attached stubs under a perpendicular magnetic field and a ferromagnetic insulator. By using the nonequilibrium Green’s function method combining with the tight-binding Hamiltonian, it is demonstrated that the spin-dependent transmission probability and spin Seebeck coefficient for two types of superlattices can be modulated by the potential drop, the magnetization strength, the number of periods of the superlattice, the strength of the perpendicular magnetic field, and the Anderson disorder strength. Interestingly, a metal to semiconductor transition occurs as the number of the superlattice for a crossed superlattice p-n junction increases, and its spin Seebeck coefficient is much larger than that for the T-shaped one around the zero Fermi energy. Furthermore, the spin Seebeck coefficient for crossed systems can be much pronounced and their maximum absolute value can reach 528 μV K-1 by choosing optimized parameters. Besides, the spin Seebeck coefficient for crossed p-n junction is strongly enhanced around the zero Fermi energy for a weak magnetic field. Our results provide theoretical references for modulating the thermoelectric properties of a graphene superlattice p-n junction by tuning its geometric structure and physical parameters.

Quantization and anomalous structures in the conductance of Si/SiGe quantum point contacts

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

Pock, J. F. von; Salloch, D.; Qiao, G.

2016-04-07

Quantum point contacts (QPCs) are fabricated on modulation-doped Si/SiGe heterostructures and ballistic transport is studied at low temperatures. We observe quantized conductance with subband separations up to 4 meV and anomalies in the first conductance plateau at 4e{sup 2}/h. At a temperature of T = 22 mK in the linear transport regime, a weak anomalous kink structure arises close to 0.5(4e{sup 2}/h), which develops into a distinct plateau-like structure as temperature is raised up to T = 4 K. Under magnetic field parallel to the wire up to B = 14 T, the anomaly evolves into the Zeeman spin-split level at 0.5(4e{sup 2}/h), resembling the '0.7 anomaly' in GaAs/AlGaAsmore » QPCs. Additionally, a zero-bias anomaly (ZBA) is observed in nonlinear transport spectroscopy. At T = 22 mK, a parallel magnetic field splits the ZBA peak up into two peaks. At B = 0, elevated temperatures lead to similar splitting, which differs from the behavior of ZBAs in GaAs/AlGaAs QPCs. Under finite dc bias, the differential resistance exhibits additional plateaus approximately at 0.8(4e{sup 2}/h) and 0.2(4e{sup 2}/h) known as '0.85 anomaly' and '0.25 anomaly' in GaAs/AlGaAs QPCs. Unlike the first regular plateau at 4e{sup 2}/h, the 0.2(4e{sup 2}/h) plateau is insensitive to dc bias voltage up to at least V{sub DS} = 80 mV, in-plane magnetic fields up to B = 15 T, and to elevated temperatures up to T = 25 K. We interpret this effect as due to pinching off one of the reservoirs close to the QPC. We do not see any indication of lifting of the valley degeneracy in our samples.« less

Functional tooth restoration utilising split germs through re-regionalisation of the tooth-forming field

PubMed Central

Yamamoto, Naomi; Oshima, Masamitsu; Tanaka, Chie; Ogawa, Miho; Nakajima, Kei; Ishida, Kentaro; Moriyama, Keiji; Tsuji, Takashi

2015-01-01

The tooth is an ectodermal organ that arises from a tooth germ under the regulation of reciprocal epithelial-mesenchymal interactions. Tooth morphogenesis occurs in the tooth-forming field as a result of reaction-diffusion waves of specific gene expression patterns. Here, we developed a novel mechanical ligation method for splitting tooth germs to artificially regulate the molecules that control tooth morphology. The split tooth germs successfully developed into multiple correct teeth through the re-regionalisation of the tooth-forming field, which is regulated by reaction-diffusion waves in response to mechanical force. Furthermore, split teeth erupted into the oral cavity and restored physiological tooth function, including mastication, periodontal ligament function and responsiveness to noxious stimuli. Thus, this study presents a novel tooth regenerative technology based on split tooth germs and the re-regionalisation of the tooth-forming field by artificial mechanical force. PMID:26673152

Strain induced novel quantum magnetotransport properties of topological insulators

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

Ma, Ning, E-mail: maning@stu.xjtu.edu.cn; Department of Applied Physics, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi’an Jiaotong University, Xi’an 710049; Zhang, Shengli, E-mail: zhangsl@mail.xjtu.edu.cn

Recent theoretical and experimental researches have revealed that the strained bulk HgTe can be regarded as a three-dimensional topological insulator (TI). Motivated by this, we explore the strain effects on the transport properties of the HgTe surface states, which are modulated by a weak 1D in-plane electrostatic periodic potential in the presence of a perpendicular magnetic field. We analytically derive the zero frequency (dc) diffusion conductivity for the case of quasielastic scattering in the Kubo formalism, and find that, in strong magnetic field regime, the Shubnikov–de Haas oscillations are superimposed on top of the Weiss oscillations due to the electricmore » modulation for null and finite strain. Furthermore, the strain is shown to remove the degeneracy in inversion symmetric Dirac cones on the top and bottom surfaces. This accordingly gives rise to the splitting and mixture of Landau levels, and the asymmetric spectrum of the dc conductivity. These phenomena, not known in a conventional 2D electron gas and even in a strainless TI and graphene, are a consequence of the anomalous spectrum of surface states in a fully stained TI. These results should be valuable for electronic and spintronic applications of TIs, and thus we fully expect to see them in the further experiment. - Highlights: • The strain removes the degeneracy in inversion symmetric Dirac cones. • The strain gives rise to the splitting and mixture of the Landau levels. • The strain leads to the asymmetric spectrum of the dc conductivity. • Shubnikov de Haas oscillations are shown to be superimposed on Weiss oscillations. • Interplay between strain and electric field causes different occupancy of TI states.« less

Resonance hybridization and near field properties of strongly coupled plasmonic ring dimer-rod nanosystem

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

Koya, Alemayehu Nana; Ji, Boyu; Hao, Zuoqiang

2015-09-21

Combined effects of polarization, split gap, and rod width on the resonance hybridization and near field properties of strongly coupled gold dimer-rod nanosystem are comparatively investigated in the light of the constituent nanostructures. By aligning polarization of the incident light parallel to the long axis of the nanorod, introducing small split gaps to the dimer walls, and varying width of the nanorod, we have simultaneously achieved resonance mode coupling, huge near field enhancement, and prolonged plasmon lifetime. As a result of strong coupling between the nanostructures and due to an intense confinement of near fields at the split and dimer-rodmore » gaps, the extinction spectrum of the coupled nanosystem shows an increase in intensity and blueshift in wavelength. Consequently, the near field lifespan of the split-nanosystem is prolonged in contrast to the constituent nanostructures and unsplit-nanosystem. On the other hand, for polarization of the light perpendicular to the long axis of the nanorod, the effect of split gap on the optical responses of the coupled nanosystem is found to be insignificant compared to the parallel polarization. These findings and such geometries suggest that coupling an array of metallic split-ring dimer with long nanorod can resolve the huge radiative loss problem of plasmonic waveguide. In addition, the Fano-like resonances and immense near field enhancements at the split and dimer-rod gaps imply the potentials of the nanosystem for practical applications in localized surface plasmon resonance spectroscopy and sensing.« less

Estimating zero strain states of very soft tissue under gravity loading using digital image correlation⋆,⋆⋆,★

PubMed Central

Gao, Zhan; Desai, Jaydev P.

2009-01-01

This paper presents several experimental techniques and concepts in the process of measuring mechanical properties of very soft tissue in an ex vivo tensile test. Gravitational body force on very soft tissue causes pre-compression and results in a non-uniform initial deformation. The global Digital Image Correlation technique is used to measure the full field deformation behavior of liver tissue in uniaxial tension testing. A maximum stretching band is observed in the incremental strain field when a region of tissue passes from compression and enters a state of tension. A new method for estimating the zero strain state is proposed: the zero strain position is close to, but ahead of the position of the maximum stretching band, or in other words, the tangent of a nominal stress-stretch curve reaches minimum at λ ≳ 1. The approach, to identify zero strain by using maximum incremental strain, can be implemented in other types of image-based soft tissue analysis. The experimental results of ten samples from seven porcine livers are presented and material parameters for the Ogden model fit are obtained. The finite element simulation based on the fitted model confirms the effect of gravity on the deformation of very soft tissue and validates our approach. PMID:20015676

Magnetic field effects on peristaltic flow of blood in a non-uniform channel

NASA Astrophysics Data System (ADS)

Latha, R.; Rushi Kumar, B.

2017-11-01

The objective of this paper is to carry out the effect of the MHD on the peristaltic transport of blood in a non-uniform channel have been explored under long wavelength approximation with low (zero) Reynolds number. Blood is made of an incompressible, viscous and electrically conducting. Explicit expressions for the axial velocity, axial pressure gradient are derived using long wavelength assumptions with slip and regularity conditions. It is determined that the pressure gradient diminishes as the couple stress parameter increments and it decreases as the magnetic parameter increments. We additionally concentrate the embedded parameters through graphs.

Low-temperature high magnetic field powder x-ray diffraction setup for field-induced structural phase transition studies from 2 to 300 K and at 0 to 8-T field

NASA Astrophysics Data System (ADS)

Shahee, Aga; Sharma, Shivani; Kumar, Dhirendra; Yadav, Poonam; Bhardwaj, Preeti; Ghodke, Nandkishor; Singh, Kiran; Lalla, N. P.; Chaddah, P.

2016-10-01

A low-temperature and high magnetic field powder x-ray diffractometer (XRD) has been developed at UGC-DAE CSR (UGC: University Grant Commission, DAE: Department of Atomic Energy, and CSR: Consortium for scientific research), Indore, India. The setup has been developed around an 18 kW rotating anode x-ray source delivering Cu-Kα x-rays coming from a vertical line source. It works in a symmetric θ-2θ parallel beam geometry. It consists of a liquid helium cryostat with an 8 T split-pair Nb-Ti superconducting magnet comprising two x-ray windows each covering an angular range of 65°. This is mounted on a non-magnetic type heavy duty goniometer equipped with all necessary motions along with data collection accessories. The incident x-ray beam has been made parallel using a parabolic multilayer mirror. The scattered x-ray is detected using a NaI detector through a 0.1° acceptance solar collimator. To control the motions of the goniometer, a computer programme has been developed. The wide-angle scattering data can be collected in a range of 2°-115° of 2θ with a resolution of ˜0.1°. The whole setup is tightly shielded for the scattered x-rays using a lead hutch. The functioning of the goniometer and the artifacts arising possibly due to the effect of stray magnetic field on the goniometer motions, on the x-ray source, and on the detector have been characterized by collecting powder XRD data of a National Institute of Standards and Technology certified standard reference material LaB6 (SRM-660b) and Si powder in zero-field and in-field conditions. Occurrence of field induced structural-phase transitions has been demonstrated on various samples like Pr0.5Sr0.5MnO3, Nd0.49Sr0.51MnO3-δ and La0.175Pr0.45Ca0.375MnO3 by collecting data in zero field cool and field cool conditions.

The artificial-free technique along the objective direction for the simplex algorithm

NASA Astrophysics Data System (ADS)

Boonperm, Aua-aree; Sinapiromsaran, Krung

2014-03-01

The simplex algorithm is a popular algorithm for solving linear programming problems. If the origin point satisfies all constraints then the simplex can be started. Otherwise, artificial variables will be introduced to start the simplex algorithm. If we can start the simplex algorithm without using artificial variables then the simplex iterate will require less time. In this paper, we present the artificial-free technique for the simplex algorithm by mapping the problem into the objective plane and splitting constraints into three groups. In the objective plane, one of variables which has a nonzero coefficient of the objective function is fixed in terms of another variable. Then it can split constraints into three groups: the positive coefficient group, the negative coefficient group and the zero coefficient group. Along the objective direction, some constraints from the positive coefficient group will form the optimal solution. If the positive coefficient group is nonempty, the algorithm starts with relaxing constraints from the negative coefficient group and the zero coefficient group. We guarantee the feasible region obtained from the positive coefficient group to be nonempty. The transformed problem is solved using the simplex algorithm. Additional constraints from the negative coefficient group and the zero coefficient group will be added to the solved problem and use the dual simplex method to determine the new optimal solution. An example shows the effectiveness of our algorithm.

Switchable zero-index metamaterials by loading positive-intrinsic-negative diodes

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

Xiang, Nan; Cheng, Qiang, E-mail: qiangcheng@emfield.org; Zhao, Jie

2014-02-03

We propose switchable zero-index metamaterials (ZIMs) implemented by split ring resonators (SRRs) loaded with positive-intrinsic-negative (PIN) diode switching elements. We demonstrate that ZIMs can be achieved at around 10 GHz when the PIN diode is switched off. When the PIN diode is switched on, however, the designed metamaterials have impedance matching to the free space, which is useful to reduce the reflections at the interface of two media. The switchable ZIMs are suitable for a wide variety of applications like the beam forming and directive radiation. Experimental results validate the switching ability of the proposed ZIMs.

DOE Zero Energy Ready Home Case Study: Healthy Efficient Homes - Spirit Lake, Iowa

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

none,

2014-11-01

This case study describes a DOE Zero Energy Ready Home in Spirit Lake, Iowa, that scored HERS 41 without PV and HERS 28 with PV. This 3,048 ft2 custom home has advanced framed walls filled with 1.5 inches closed-cell spray foam, a vented attic with spray foam-sealed top plates and blown fiberglass over the ceiling deck. R-23 basement walls are ICF plus two 2-inch layers of EPS. The house also has a mini-split heat pump, fresh air fan intake, and a solar hot water heater.

The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects

NASA Astrophysics Data System (ADS)

Cantero-López, Plinio; Páez-Hernández, Dayan; Arratia-Pérez, Ramiro

2017-10-01

A series of luminescent Ir(III) complexes of the type [Ir(F2ppy)2L] (where L = Lpytz , LOMe , Lbut) have been studied using relativistic two-component density functional theory considering the spin-orbit coupling. The absorption spectra of the three complexes were determined. The most important transition appears in the region between 250 and 350 nm, which is in good agreement with the experimental reports. The three complexes show phosphorescent properties due to a metal-ligand charge transfer (MLCT) process, where the spin-orbit coupling (SOC) plays a key role due to the introduction of a zero field splitting (ZFS) and the mixing of states with different spins which contributes to modify the emission selection rule. The lifetimes of the emission processes were calculated, and the values are in the same order of the experimental reports.

The fine-structure intervals of (N-14)+ by far-infrared laser magnetic resonance

NASA Technical Reports Server (NTRS)

Brown, John M.; Varberg, Thomas D.; Evenson, Kenneth M.; Cooksy, Andrew L.

1994-01-01

The far-infrared laser magnetic resonance spectra associated with both fine-structure transitions in (N-14)+ in its ground P-3 state have been recorded. This is the first laboratory observation of the J = 1 left arrow 0 transition and its frequency has been determined two orders of magnitude more accurately than previously. The remeasurement of the J = 2 left arrow 1 spectrum revealed a small error in the previous laboratory measurements. The fine-structure splittings (free of hyperfine interactions) determined in this work are (delta)E(sub 10) = 1461.13190 (61) GHz, (delta)E(sub 21) = 2459.38006 (37) GHz. Zero-field transition frequencies which include the effects of hyperfine structure have also been calculated. Refined values for the hyperfine constants and the g(sub J) factors have been obtained.

Strong valley Zeeman effect of dark excitons in monolayer transition metal dichalcogenides in a tilted magnetic field

NASA Astrophysics Data System (ADS)

Van der Donck, M.; Zarenia, M.; Peeters, F. M.

2018-02-01

The dependence of the excitonic photoluminescence (PL) spectrum of monolayer transition metal dichalcogenides (TMDs) on the tilt angle of an applied magnetic field is studied. Starting from a four-band Hamiltonian we construct a theory which quantitatively reproduces the available experimental PL spectra for perpendicular and in-plane magnetic fields. In the presence of a tilted magnetic field, we demonstrate that the dark exciton PL peaks brighten due to the in-plane component of the magnetic field and split for light with different circular polarizations as a consequence of the perpendicular component of the magnetic field. This splitting is more than twice as large as the splitting of the bright exciton peaks in tungsten-based TMDs. We propose an experimental setup that will allow for accessing the predicted splitting of the dark exciton peaks in the PL spectrum.

Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

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

Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

2006-01-15

For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zeromore » and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.« less

Effect of Interaction on the Majorana Zero Modes in the Kitaev Chain at Half Filling

NASA Astrophysics Data System (ADS)

Li, Zhidan; Han, Qiang

2018-04-01

The one dimension interacting Kitaev chain at half filling is studied. The symmetry of the Hamiltonian is examined by dual transformations and various physical quantities as functions of the fermion-fermion interaction $U$ are calculated systematically using the density matrix renormalization group method. A special value of interaction $U_p$ is revealed in the topological region of the phase diagram. We show that at $U_p$ the ground states are strictly two-fold degenerate even though the chain length is finite and the zero-energy peak due to the Majorana zero modes is maximally enhanced and exactly localized at the end sites. $U_p$ may be attractive or repulsive depending on other system parameters. We also give a qualitative understanding of the effect of interaction under the self-consistent mean field framework.

The influence of magnetic order on the magnetoresistance anisotropy of Fe1 + δ-x Cu x Te

NASA Astrophysics Data System (ADS)

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; Analytis, J. G.; Birgeneau, R. J.

2017-07-01

We performed resistance measurements on \\text{F}{{\\text{e}}1+δ -x} Cu x Te with {{x}\\text{EDX}}≤slant 0.06 in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For {{x}\\text{EDX}}=0.06 the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Thus we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.

The influence of magnetic order on the magnetoresistance anisotropy of Fe 1+δ–xCu xTe

DOE PAGES

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; ...

2017-06-08

We performed resistance measurements on [Formula: see text]Cu x Te with [Formula: see text] in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cumore » content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For [Formula: see text] the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Thus we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

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

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.

In this study, e performed resistance measurements onmore » $$\\text{F}{{\\text{e}}_{1+\\delta -x}}$$ Cu x Te with $${{x}_{\\text{EDX}}}\\leqslant 0.06$$ in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For $${{x}_{\\text{EDX}}}=0.06$$ the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Finally, we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

Ultrasonic attenuation in superconducting molybdenum-rhenium alloys.

NASA Technical Reports Server (NTRS)

Ashkin, M.; Deis, D. W.; Gottlieb, M.; Jones, C. K.

1971-01-01

Investigation of longitudinal sound attenuation in superconducting Mo-Re alloys as a function of temperature, magnetic field, and frequency. Evaporated thin film CdS transducers were used for the measurements at frequencies up to 3 GHz. The normal state attenuation coefficient was found to be proportional to the square of frequency over this frequency range. Measurements in zero magnetic field yielded a value of the energy gap parameter close to the threshold value of 3.56 kTc, appropriate to a weakly coupled dirty limit superconductor.

Organic and inorganic fertilizer effect on soil CO2 flux, microbial biomass, and growth of Nigella sativa L.

NASA Astrophysics Data System (ADS)

Salehi, Aliyeh; Fallah, Seyfollah; Sourki, Ali Abasi

2017-01-01

Cattle manure has a high carbon/nitrogen ratio and may not decompose; therefore, full-dose application of urea fertilizer might improve biological properties by increasing manure decomposition. This study aimed to investigate the effect of combining cattle manure and urea fertilizer on soil CO2 flux, microbial biomass carbon, and dry matter accumulation during Nigella sativa L. (black cumin) growth under field conditions. The treatments were control, cattle manure, urea, different levels of split and full-dose integrated fertilizer. The results showed that integrated application of cattle manure and chemical fertilizer significantly increased microbial biomass carbon by 10%, soil organic carbon by 2.45%, total N by 3.27%, mineral N at the flowering stage by 7.57%, and CO2 flux by 9% over solitary urea application. Integrated application increased microbial biomass carbon by 10% over the solitary application and the full-dose application by 5% over the split application. The soil properties and growth parameters of N. sativa L. benefited more from the full-dose application than the split application of urea. Cattle manure combined with chemical fertilizer and the full-dose application of urea increased fertilizer efficiency and improved biological soil parameters and plant growth. This method decreased the cost of top dressing urea fertilizer and proved beneficial for the environment and medicinal plant health.

Superparticle phenomenology from the natural mini-landscape

NASA Astrophysics Data System (ADS)

Baer, Howard; Barger, Vernon; Savoy, Michael; Serce, Hasan; Tata, Xerxes

2017-06-01

The methodology of the heterotic mini-landscape attempts to zero in on phenomenologically viable corners of the string landscape where the effective low energy theory is the Minimal Supersymmetric Standard Model with localized grand unification. The gaugino mass pattern is that of mirage-mediation. The magnitudes of various SM Yukawa couplings point to a picture where scalar soft SUSY breaking terms are related to the geography of fields in the compactified dimensions. Higgs fields and third generation scalars extend to the bulk and occur in split multiplets with TeV scale soft masses. First and second generation scalars, localized at orbifold fixed points or tori with enhanced symmetry, occur in complete GUT multiplets and have much larger masses. This picture can be matched onto the parameter space of generalized mirage mediation. Naturalness considerations, the requirement of the observed electroweak symmetry breaking pattern, and LHC bounds on m g together limit the gravitino mass to the m 3/2 ˜ 5-60 TeV range. The mirage unification scale is bounded from below with the limit depending on the ratio of squark to gravitino masses. We show that while natural SUSY in this realization may escape detection even at the high luminosity LHC, the high energy LHC with √{s}=33 TeV could unequivocally confirm or exclude this scenario. It should be possible to detect the expected light higgsinos at the ILC if these are kinematically accessible, and possibly also discriminate the expected compression of gaugino masses in the natural mini-landscape picture from the mass pattern expected in models with gaugino mass unification. The thermal WIMP signal should be accessible via direct detection searches at the multi-ton noble liquid detectors such as XENONnT or LZ.

Time domain simulation of Gd3+-Gd3+ distance measurements by EPR

NASA Astrophysics Data System (ADS)

Manukovsky, Nurit; Feintuch, Akiva; Kuprov, Ilya; Goldfarb, Daniella

2017-07-01

Gd3+-based spin labels are useful as an alternative to nitroxides for intramolecular distance measurements at high fields in biological systems. However, double electron-electron resonance (DEER) measurements using model Gd3+ complexes featured a low modulation depth and an unexpected broadening of the distance distribution for short Gd3+-Gd3+ distances, when analysed using the software designed for S = 1/2 pairs. It appears that these effects result from the different spectroscopic characteristics of Gd3+—the high spin, the zero field splitting (ZFS), and the flip-flop terms in the dipolar Hamiltonian that are often ignored for spin-1/2 systems. An understanding of the factors affecting the modulation frequency and amplitude is essential for the correct analysis of Gd3+-Gd3+ DEER data and for the educated choice of experimental settings, such as Gd3+ spin label type and the pulse parameters. This work uses time-domain simulations of Gd3+-Gd3+ DEER by explicit density matrix propagation to elucidate the factors shaping Gd3+ DEER traces. The simulations show that mixing between the |+½, -½> and |-½, +½> states of the two spins, caused by the flip-flop term in the dipolar Hamiltonian, leads to dampening of the dipolar modulation. This effect may be mitigated by a large ZFS or by pulse frequency settings allowing for a decreased contribution of the central transition and the one adjacent to it. The simulations reproduce both the experimental line shapes of the Fourier-transforms of the DEER time domain traces and the trends in the behaviour of the modulation depth, thus enabling a more systematic design and analysis of Gd3+ DEER experiments.

Zero field reversal probability in thermally assisted magnetization reversal

NASA Astrophysics Data System (ADS)

Prasetya, E. B.; Utari; Purnama, B.

2017-11-01

This paper discussed about zero field reversal probability in thermally assisted magnetization reversal (TAMR). Appearance of reversal probability in zero field investigated through micromagnetic simulation by solving stochastic Landau-Lifshitz-Gibert (LLG). The perpendicularly anisotropy magnetic dot of 50×50×20 nm3 is considered as single cell magnetic storage of magnetic random acces memory (MRAM). Thermally assisted magnetization reversal was performed by cooling writing process from near/almost Curie point to room temperature on 20 times runs for different randomly magnetized state. The results show that the probability reversal under zero magnetic field decreased with the increase of the energy barrier. The zero-field probability switching of 55% attained for energy barrier of 60 k B T and the reversal probability become zero noted at energy barrier of 2348 k B T. The higest zero-field switching probability of 55% attained for energy barrier of 60 k B T which corespond to magnetif field of 150 Oe for switching.

Mini-Split Heat Pump Evaluation and Zero Energy Ready Home Support

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

Herk, Anastasia

IBACOS worked with builder Imagine Homes to evaluate the performance of an occupied new construction test house following construction of the house in the hot, humid climate of San Antonio, Texas. The project measures the effectiveness of a space conditioning strategy using a multihead mini-split heat pump (MSHP) system in a reduced-load home to achieve acceptable comfort levels (temperature and humidity) and energy performance. IBACOS collected long-term data and analyzed the energy consumption and comfort conditions of the occupied house after one year of operation. Although measured results indicate that the test system provides comfort both inside and outside themore » ASHRAE Standard 55-2010 range, the occupants of the house claimed both adequate comfort and appreciation of the ease of use and flexibility of the installed MSHP system. IBACOS also assisted the builder to evaluate design and specification changes necessary to comply with Zero Energy Ready Home, but the builder chose to not move forward with it because of concerns about the 'solar ready' requirements of the program.« less

Dynamics of a quasiparticle in the α-T3 model: role of pseudospin polarization and transverse magnetic field on zitterbewegung

NASA Astrophysics Data System (ADS)

Biswas, Tutul; Kanti Ghosh, Tarun

2018-02-01

We consider the α-T 3 model which provides a smooth crossover between the honeycomb lattice with pseudospin 1/2 and the dice lattice with pseudospin 1 through the variation of a parameter α. We study the dynamics of a wave packet representing a quasiparticle in the α-T3 model with zero and finite transverse magnetic field. For zero field, it is shown that the wave packet undergoes a transient zitterbewegung (ZB). Various features of ZB depending on the initial pseudospin polarization of the wave packet have been revealed. For an intermediate value of the parameter α i.e. for 0<α<1 the resulting ZB consists of two distinct frequencies when the wave packet was located initially in rim site. However, the wave packet exhibits single frequency ZB for α=0 and α=1 . It is also unveiled that the frequency of ZB corresponding to α=1 gets exactly half of that corresponding to the α=0 case. On the other hand, when the initial wave packet was in hub site, the ZB consists of only one frequency for all values of α. Using stationary phase approximation, we find analytical expression of velocity average which can be used to extract the associated timescale over which the transient nature of ZB persists. On the contrary, the wave packet undergoes permanent ZB in presence of a transverse magnetic field. Due to the presence of a large number of Landau energy levels, the oscillations in ZB appear to be much more complicated. The oscillation pattern depends significantly on the initial pseudospin polarization of the wave packet. Furthermore, it is revealed that the number of the frequency components involved in ZB depends on the parameter α.

Dynamics of a quasiparticle in the α-T3 model: role of pseudospin polarization and transverse magnetic field on zitterbewegung.

PubMed

Biswas, Tutul; Kanti Ghosh, Tarun

2018-01-22

We consider the α-T 3 model which provides a smooth crossover between the honeycomb lattice with pseudospin 1/2 and the dice lattice with pseudospin 1 through the variation of a parameter α. We study the dynamics of a wave packet representing a quasiparticle in the α-T 3 model with zero and finite transverse magnetic field. For zero field, it is shown that the wave packet undergoes a transient zitterbewegung (ZB). Various features of ZB depending on the initial pseudospin polarization of the wave packet have been revealed. For an intermediate value of the parameter α i.e. for [Formula: see text] the resulting ZB consists of two distinct frequencies when the wave packet was located initially in rim site. However, the wave packet exhibits single frequency ZB for [Formula: see text] and [Formula: see text]. It is also unveiled that the frequency of ZB corresponding to [Formula: see text] gets exactly half of that corresponding to the [Formula: see text] case. On the other hand, when the initial wave packet was in hub site, the ZB consists of only one frequency for all values of α. Using stationary phase approximation, we find analytical expression of velocity average which can be used to extract the associated timescale over which the transient nature of ZB persists. On the contrary, the wave packet undergoes permanent ZB in presence of a transverse magnetic field. Due to the presence of a large number of Landau energy levels, the oscillations in ZB appear to be much more complicated. The oscillation pattern depends significantly on the initial pseudospin polarization of the wave packet. Furthermore, it is revealed that the number of the frequency components involved in ZB depends on the parameter α.

Optimal field-splitting algorithm in intensity-modulated radiotherapy: Evaluations using head-and-neck and female pelvic IMRT cases

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

Dou, Xin; Kim, Yusung, E-mail: yusung-kim@uiowa.edu; Bayouth, John E.

2013-04-01

To develop an optimal field-splitting algorithm of minimal complexity and verify the algorithm using head-and-neck (H and N) and female pelvic intensity-modulated radiotherapy (IMRT) cases. An optimal field-splitting algorithm was developed in which a large intensity map (IM) was split into multiple sub-IMs (≥2). The algorithm reduced the total complexity by minimizing the monitor units (MU) delivered and segment number of each sub-IM. The algorithm was verified through comparison studies with the algorithm as used in a commercial treatment planning system. Seven IMRT, H and N, and female pelvic cancer cases (54 IMs) were analyzed by MU, segment numbers, andmore » dose distributions. The optimal field-splitting algorithm was found to reduce both total MU and the total number of segments. We found on average a 7.9 ± 11.8% and 9.6 ± 18.2% reduction in MU and segment numbers for H and N IMRT cases with an 11.9 ± 17.4% and 11.1 ± 13.7% reduction for female pelvic cases. The overall percent (absolute) reduction in the numbers of MU and segments were found to be on average −9.7 ± 14.6% (−15 ± 25 MU) and −10.3 ± 16.3% (−3 ± 5), respectively. In addition, all dose distributions from the optimal field-splitting method showed improved dose distributions. The optimal field-splitting algorithm shows considerable improvements in both total MU and total segment number. The algorithm is expected to be beneficial for the radiotherapy treatment of large-field IMRT.« less

Roll splitting for field processing of biomass

Treesearch

Dennis T. Curtin; Donald L. Sirois; John A. Sturos

1987-01-01

The concept of roll splitting wood originated in 1967 when the Tennessee Valley Authority (TVA) forest products specialists developed a wood fibrator. The objective of that work was to produce raw materials for reconstituted board products. More recently, TVA focused on roll splitting as a field process to accelerate drying of small trees (3-15 cm diameter), much...

The character of drift spreading of artificial plasma clouds in the middle-latitude ionosphere

NASA Astrophysics Data System (ADS)

Blaunstein, N.

1996-02-01

Nonlinear equations describing the evolution of plasma clouds with real initial sizes, along and across the geomagnetic field B, which drift in the ionosphere in the presence of an ambient electric field and a neutral wind have been solved and analysed. An ionospheric model close to the real conditions of the middle-latitude ionosphere is introduced, taking into account the altitude dependence of the transport coefficients and background ionospheric plasma. The striation of the initial plasma cloud into a cluster of plasmoids, stretched along the field B, is obtained. The process of dispersive splitting of the initial plasma cloud can be understood in terms of gradient drift instability (GDI) as a most probable striation mechanism. The dependence of the characteristic time of dispersive splitting on the value of the ambient electric field, the initial plasma disturbance in the cloud and its initial sizes was investigated. The stretching criterion, necessary for the plasma cloud's striation is obtained. The possibility of the drift stabilization effect arising from azimuthal drift velocity shear, obtained by Drake et al. [1988], is examined for various parameters of the barium cloud and the background ionospheric conditions. A comparison with experimental data on the evolution of barium clouds in rocket experiments at the height of the lower ionosphere is made.

Crystal-field, exchange interactions and magnetism in pyrochlore ferromagnet R2V2O7 (R3+=Y, Lu)

NASA Astrophysics Data System (ADS)

Ali Biswas, A.; Jana, Y. M.

2013-03-01

The temperature dependence of the observed bulk magnetic susceptibility, magnetization, paramagnetic Curie temperature θCW, magnetic specific heat of ferromagnetic semi-conducting pyrochlore-based vanadate compounds Y2V2O7 and Lu2V2O7, which are the simplest of R2M2O7 pyrochlore series of oxides, are simulated and analyzed, simultaneously and consistently, within the frame work of the appropriate crystal-field (CF) theory and a mean-field approximation by introducing effective anisotropic molecular-field tensors and also taking account of appreciable spin-orbit coupling. The electronic and magnetic properties are correlated to the structural parameters. Ten-fold degenerate 2D term of 3d1 V4+-ions is split into five Kramers doublets with overall CF splitting Δ1≈2 eV and the total splitting of the 2T2g state Δ0≈0.4 eV under combined actions of octahedral CF, trigonal (D3d) distortion at V-site and spin-orbit coupling. The ground doublet is a well-isolated effectively spin s=1/2 state, characterized by the anisotropic g-tensors and directional magnetic moments. The degeneracy of the ground state is lifted by the spin-spin correlations among V4-tetrahedra at T∼170 K, which causes the formation of ferromagnetic clusters in these pyrochlores. The temperature dependence of the calculated directional site-susceptibilities shows that the V4+ ions have a substantial easy-axis single-ion anisotropy along local <111> axis of a given V4-tetrahedron in the magnetic phase where ferromagnetic clusters coexist with paramagnetic phase.

Fabrication and Test of an Optical Magnetic Mirror

NASA Technical Reports Server (NTRS)

Hagopian, John G.; Roman, Patrick A.; Shiri, Shahram; Wollack, Edward J.; Roy, Madhumita

2011-01-01

Traditional mirrors at optical wavelengths use thin metalized or dielectric layers of uniform thickness to approximate a perfect electric field boundary condition. The electron gas in such a mirror configuration oscillates in response to the incident photons and subsequently re-emits fields where the propagation and electric field vectors have been inverted and the phase of the incident magnetic field is preserved. We proposed fabrication of sub-wavelength-scale conductive structures that could be used to interact with light at a nano-scale and enable synthesis of the desired perfect magnetic-field boundary condition. In a magnetic mirror, the interaction of light with the nanowires, dielectric layer and ground plate, inverts the magnetic field vector resulting in a zero degree phase shift upon reflection. Geometries such as split ring resonators and sinusoidal conductive strips were shown to demonstrate magnetic mirror behavior in the microwave and then in the visible. Work to design, fabricate and test a magnetic mirror began in 2007 at the NASA Goddard Space Flight Center (GSFC) under an Internal Research and Development (IRAD) award Our initial nanowire geometry was sinusoidal but orthogonally asymmetric in spatial frequency, which allowed clear indications of its behavior by polarization. We report on the fabrication steps and testing of magnetic mirrors using a phase shifting interferometer and the first far-field imaging of an optical magnetic mirror.

Valley Zeeman splitting of monolayer MoS2 probed by low-field magnetic circular dichroism spectroscopy at room temperature

NASA Astrophysics Data System (ADS)

Wu, Y. J.; Shen, C.; Tan, Q. H.; Shi, J.; Liu, X. F.; Wu, Z. H.; Zhang, J.; Tan, P. H.; Zheng, H. Z.

2018-04-01

The valley Zeeman splitting of monolayer two-dimensional (2D) materials in the magnetic field plays an important role in the valley and spin manipulations. In general, a high magnetic field (6-65 T) and low temperature (2-30 K) were two key measurement conditions to observe the resolvable valley Zeeman splitting of monolayer 2D materials in current reported experiments. In this study, we experimentally demonstrate an effective measurement scheme by employing magnetic circular dichroism (MCD) spectroscopy, which enables us to distinguish the valley Zeeman splitting under a relatively low magnetic field of 1 T at room temperature. MCD peaks related to both A and B excitonic transitions in monolayer MoS2 can be clearly observed. Based on the MCD spectra under different magnetic fields (-3 to 3 T), we obtained the valley Zeeman splitting energy and the g-factors of A and B excitons, respectively. Our results show that MCD spectroscopy is a high-sensitive magneto-optical technique to explore the valley and spin manipulation in 2D materials.

Dynamic Control of Collapse in a Vortex Airy Beam

PubMed Central

Chen, Rui-Pin; Chew, Khian-Hooi; He, Sailing

2013-01-01

Here we study systematically the self-focusing dynamics and collapse of vortex Airy optical beams in a Kerr medium. The collapse is suppressed compared to a non-vortex Airy beam in a Kerr medium due to the existence of vortex fields. The locations of collapse depend sensitively on the initial power, vortex order, and modulation parameters. The collapse may occur in a position where the initial field is nearly zero, while no collapse appears in the region where the initial field is mainly distributed. Compared with a non-vortex Airy beam, the collapse of a vortex Airy beam can occur at a position away from the area of the initial field distribution. Our study shows the possibility of controlling and manipulating the collapse, especially the precise position of collapse, by purposely choosing appropriate initial power, vortex order or modulation parameters of a vortex Airy beam. PMID:23518858

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

Yu, Yao; Chen, Josephine; Leary, Celeste I.

Radiation of the low neck can be accomplished using split-field intensity-modulated radiation therapy (sf-IMRT) or extended-field intensity-modulated radiation therapy (ef-IMRT). We evaluated the effect of these treatment choices on target coverage and thyroid and larynx doses. Using data from 14 patients with cancers of the oropharynx, we compared the following 3 strategies for radiating the low neck: (1) extended-field IMRT, (2) traditional split-field IMRT with an initial cord-junction block to 40 Gy, followed by a full-cord block to 50 Gy, and (3) split-field IMRT with a full-cord block to 50 Gy. Patients were planned using each of these 3 techniques.more » To facilitate comparison, extended-field plans were normalized to deliver 50 Gy to 95% of the neck volume. Target coverage was assessed using the dose to 95% of the neck volume (D{sub 95}). Mean thyroid and larynx doses were computed. Extended-field IMRT was used as the reference arm; the mean larynx dose was 25.7 ± 7.4 Gy, and the mean thyroid dose was 28.6 ± 2.4 Gy. Split-field IMRT with 2-step blocking reduced laryngeal dose (mean larynx dose 15.2 ± 5.1 Gy) at the cost of a moderate reduction in target coverage (D{sub 95} 41.4 ± 14 Gy) and much higher thyroid dose (mean thyroid dose 44.7 ± 3.7 Gy). Split-field IMRT with initial full-cord block resulted in greater laryngeal sparing (mean larynx dose 14.2 ± 5.1 Gy) and only a moderately higher thyroid dose (mean thyroid dose 31 ± 8 Gy) but resulted in a significant reduction in target coverage (D{sub 95} 34.4 ± 15 Gy). Extended-field IMRT comprehensively covers the low neck and achieves acceptable thyroid and laryngeal sparing. Split-field IMRT with a full-cord block reduces laryngeal doses to less than 20 Gy and spares the thyroid, at the cost of substantially reduced coverage of the low neck. Traditional 2-step split-field IMRT similarly reduces the laryngeal dose but also reduces low-neck coverage and delivers very high doses to the thyroid.« less

Finite frequency shear wave splitting tomography: a model space search approach

NASA Astrophysics Data System (ADS)

Mondal, P.; Long, M. D.

2017-12-01

Observations of seismic anisotropy provide key constraints on past and present mantle deformation. A common method for upper mantle anisotropy is to measure shear wave splitting parameters (delay time and fast direction). However, the interpretation is not straightforward, because splitting measurements represent an integration of structure along the ray path. A tomographic approach that allows for localization of anisotropy is desirable; however, tomographic inversion for anisotropic structure is a daunting task, since 21 parameters are needed to describe general anisotropy. Such a large parameter space does not allow a straightforward application of tomographic inversion. Building on previous work on finite frequency shear wave splitting tomography, this study aims to develop a framework for SKS splitting tomography with a new parameterization of anisotropy and a model space search approach. We reparameterize the full elastic tensor, reducing the number of parameters to three (a measure of strength based on symmetry considerations for olivine, plus the dip and azimuth of the fast symmetry axis). We compute Born-approximation finite frequency sensitivity kernels relating model perturbations to splitting intensity observations. The strong dependence of the sensitivity kernels on the starting anisotropic model, and thus the strong non-linearity of the inverse problem, makes a linearized inversion infeasible. Therefore, we implement a Markov Chain Monte Carlo technique in the inversion procedure. We have performed tests with synthetic data sets to evaluate computational costs and infer the resolving power of our algorithm for synthetic models with multiple anisotropic layers. Our technique can resolve anisotropic parameters on length scales of ˜50 km for realistic station and event configurations for dense broadband experiments. We are proceeding towards applications to real data sets, with an initial focus on the High Lava Plains of Oregon.

Exploring entropic uncertainty relation in the Heisenberg XX model with inhomogeneous magnetic field

NASA Astrophysics Data System (ADS)

Huang, Ai-Jun; Wang, Dong; Wang, Jia-Ming; Shi, Jia-Dong; Sun, Wen-Yang; Ye, Liu

2017-08-01

In this work, we investigate the quantum-memory-assisted entropic uncertainty relation in a two-qubit Heisenberg XX model with inhomogeneous magnetic field. It has been found that larger coupling strength J between the two spin-chain qubits can effectively reduce the entropic uncertainty. Besides, we observe the mechanics of how the inhomogeneous field influences the uncertainty, and find out that when the inhomogeneous field parameter b<1, the uncertainty will decrease with the decrease of the inhomogeneous field parameter b, conversely, the uncertainty will increase with decreasing b under the condition that b>1. Intriguingly, the entropic uncertainty can shrink to zero when the coupling coefficients are relatively large, while the entropic uncertainty only reduces to 1 with the increase of the homogeneous magnetic field. Additionally, we observe the purity of the state and Bell non-locality and obtain that the entropic uncertainty is anticorrelated with both the purity and Bell non-locality of the evolution state.

Three dimensional α-tunneling in intense laser fields

NASA Astrophysics Data System (ADS)

Kis, Daniel P.; Szilvasi, Reka

2018-04-01

The width and life-time of the quasibound state of the α cluster in intense monochromatic electromagnetic (laser) field are discussed in details. The laser modified three dimensional potential barrier felt by the α particle is investigated analytically in long wave approximation and zero-order approximations with some different nuclear models: Coulomb potential with rectangular well, and with Woods-Saxon type potential. We show that the circularly polarized electromagnetic field and the special parameters of the nuclear potentials determine an enhancement of the decay probability, so the life-time of the quasibound state decreases in few times compared to the case of free field.

On the nature of the Mott transition in multiorbital systems

NASA Astrophysics Data System (ADS)

Facio, Jorge I.; Vildosola, V.; García, D. J.; Cornaglia, Pablo S.

2017-02-01

We analyze the nature of a Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory. The auxiliary multiorbital quantum impurity problem is solved using continuous-time quantum Monte Carlo and the rotationally invariant slave-boson (RISB) mean-field approximation. We focus our analysis on the Kanamori Hamiltonian and find that there are two markedly different regimes determined by the nature of the lowest-energy excitations of the atomic Hamiltonian. The RISB results at T →0 suggest the following rule of thumb for the order of the transition at zero temperature: a second-order transition is to be expected if the lowest-lying excitations of the atomic Hamiltonian are charge excitations, while the transition tends to be first order if the lowest-lying excitations are in the same charge sector as the atomic ground state. At finite temperatures, the transition is first order and its strength, as measured, e.g., by the jump in the quasiparticle weight at the transition, is stronger in the parameter regime where the RISB method predicts a first-order transition at zero temperature. Interestingly, these results seem to apply to a wide variety of models and parameter regimes.

A New Method of Assessing Uncertainty of the Cross-Convolution Method of Shear Wave Splitting Measurement

NASA Astrophysics Data System (ADS)

Schutt, D.; Breidt, J.; Corbalan Castejon, A.; Witt, D. R.

2017-12-01

Shear wave splitting is a commonly used and powerful method for constraining such phenomena as lithospheric strain history or asthenospheric flow. However, a number of challenges with the statistics of shear wave splitting have been noted. This creates difficulties in assessing whether two separate measurements are statistically similar or are indicating real differences in anisotropic structure, as well as for created proper station averaged sets of parameters for more complex situations such as multiple or dipping layers of anisotropy. We present a new method for calculating the most likely splitting parameters using the Menke and Levin [2003] method of cross-convolution. The Menke and Levin method is used because it can more readily be applied to a wider range of anisotropic scenarios than the commonly used Silver and Chan [1991] technique. In our approach, we derive a formula for the spectral density of a function of the microseismic noise and the impulse response of the correct anisotropic model that holds for the true anisotropic model parameters. This is compared to the spectral density of the observed signal convolved with the impulse response for an estimated set of anisotropic parameters. The most likely parameters are found when the former and latter spectral densities are the same. By using the Whittle likelihood to compare the two spectral densities, a likelihood grid for all possible anisotropic parameter values is generated. Using bootstrapping, the uncertainty and covariance between the various anisotropic parameters can be evaluated. We will show this works with a single layer of anisotropy and a vertically incident ray, and discuss the usefulness for a more complex case. The method shows great promise for calculating multiple layer anisotropy parameters with proper assessment of uncertainty. References: Menke, W., and Levin, V. 2003. The cross-convolution method for interpreting SKS splitting observations, with application to one and two-layer anisotropic earth models. Geophysical Journal International, 154: 379-392. doi:10.1046/j.1365-246X.2003.01937.x. Silver, P.G., and Chan, W.W. 1991. Shear Wave Splitting and Sub continental Mantle Deformation. Journal of Geophysical Research, 96: 429-454. doi:10.1029/91JB00899.

M-Split: A Graphical User Interface to Analyze Multilayered Anisotropy from Shear Wave Splitting

NASA Astrophysics Data System (ADS)

Abgarmi, Bizhan; Ozacar, A. Arda

2017-04-01

Shear wave splitting analysis are commonly used to infer deep anisotropic structure. For simple cases, obtained delay times and fast-axis orientations are averaged from reliable results to define anisotropy beneath recording seismic stations. However, splitting parameters show systematic variations with back azimuth in the presence of complex anisotropy and cannot be represented by average time delay and fast axis orientation. Previous researchers had identified anisotropic complexities at different tectonic settings and applied various approaches to model them. Most commonly, such complexities are modeled by using multiple anisotropic layers with priori constraints from geologic data. In this study, a graphical user interface called M-Split is developed to easily process and model multilayered anisotropy with capabilities to properly address the inherited non-uniqueness. M-Split program runs user defined grid searches through the model parameter space for two-layer anisotropy using formulation of Silver and Savage (1994) and creates sensitivity contour plots to locate local maximas and analyze all possible models with parameter tradeoffs. In order to minimize model ambiguity and identify the robust model parameters, various misfit calculation procedures are also developed and embedded to M-Split which can be used depending on the quality of the observations and their back-azimuthal coverage. Case studies carried out to evaluate the reliability of the program using real noisy data and for this purpose stations from two different networks are utilized. First seismic network is the Kandilli Observatory and Earthquake research institute (KOERI) which includes long term running permanent stations and second network comprises seismic stations deployed temporary as part of the "Continental Dynamics-Central Anatolian Tectonics (CD-CAT)" project funded by NSF. It is also worth to note that M-Split is designed as open source program which can be modified by users for additional capabilities or for other applications.

Theoretical study of charge and spin-resolved quantum transport in III-V semiconductor nanostructures

NASA Astrophysics Data System (ADS)

Botha, Andre Erasmus

2003-07-01

This thesis is a theoretical investigation into the spin-resolved transport properties of III-V semiconductor quantum wells. Based on a modified 8 x 8 k · p matrix Hamiltonian, a theory is developed to study the recombination rate in type-II semi metallic quantum wells. The non-parabolicity of the energy band structure and its anisotropy is included via the interband matrix elements and the addition of an anisotropic crystal field potential (parameterized by delta). The effects of externally applied electric and magnetic fields are incorporated into the theory. The electric field is incorporated using a WKB-type approximation. In order to study the anisotropy, the magnetic field is incorporated so that it can be applied at an arbitrary angle theta, with respect to the crystallographic direction c[001]. The case of oblique tunneling (k|| ≠ 0), is also considered. Several interesting results, from calculations of the transmission coefficient, recombination rate, and electron-spin polarization, are presented and discussed for both n-type and p-type single and double quantum wells made from clean InAs and GaSb. For example, in the case of a 150 A wide GaSb/InAs/GaSb quantum well, with B = 4 T, and theta = pi/8, the two maxima in the electron-spin polarization, from the ground and first excited resonant states, are found to be approximately 75%, and 35%, respectively. As theta is varied, a maximum polarization is achieved for a given magnetic field, and this maximum depends on the value of the anisotropy parameter, delta. By using a more sophisticated 14 x 14 band k · p formalism, which explicitly takes into account the coupling between higher bands ( Gc15-Gu 15,Gc1-G u15 , and Gc1-Gc15 ), a theory is developed for the total zero-field spin-splitting and resulting electron-spin polarization in symmetric and asymmetric type-II quantum wells. This theory includes the non-parabolicity, non sphericity, and anisotropy of the energy band structure. The anisotropy in the band structure is introduced via the addition of an anisotropic crystal potential. In the case of an asymmetric GaSb/InAs/GaSb quantum well, it is predicted that the two contributions to the total spin-splitting will be roughly of equal importance. It is also shown that the polarization maxima and minima, for a given resonance state, may not be equal in magnitude. If the resonant state lies close to the forbidden energy gap, the transmission peaks for spin-up and spin-down are skewed. This feature may have potential applications in the design of spintronic filtering and switching devices, in which it is desirable to filter unpolarized electrons (with respect to energy and spin) in order to produce highly polarized, adjustable low-energy beams.

Towards adjoint-based inversion for rheological parameters in nonlinear viscous mantle flow

NASA Astrophysics Data System (ADS)

Worthen, Jennifer; Stadler, Georg; Petra, Noemi; Gurnis, Michael; Ghattas, Omar

2014-09-01

We address the problem of inferring mantle rheological parameter fields from surface velocity observations and instantaneous nonlinear mantle flow models. We formulate this inverse problem as an infinite-dimensional nonlinear least squares optimization problem governed by nonlinear Stokes equations. We provide expressions for the gradient of the cost functional of this optimization problem with respect to two spatially-varying rheological parameter fields: the viscosity prefactor and the exponent of the second invariant of the strain rate tensor. Adjoint (linearized) Stokes equations, which are characterized by a 4th order anisotropic viscosity tensor, facilitates efficient computation of the gradient. A quasi-Newton method for the solution of this optimization problem is presented, which requires the repeated solution of both nonlinear forward Stokes and linearized adjoint Stokes equations. For the solution of the nonlinear Stokes equations, we find that Newton’s method is significantly more efficient than a Picard fixed point method. Spectral analysis of the inverse operator given by the Hessian of the optimization problem reveals that the numerical eigenvalues collapse rapidly to zero, suggesting a high degree of ill-posedness of the inverse problem. To overcome this ill-posedness, we employ Tikhonov regularization (favoring smooth parameter fields) or total variation (TV) regularization (favoring piecewise-smooth parameter fields). Solution of two- and three-dimensional finite element-based model inverse problems show that a constant parameter in the constitutive law can be recovered well from surface velocity observations. Inverting for a spatially-varying parameter field leads to its reasonable recovery, in particular close to the surface. When inferring two spatially varying parameter fields, only an effective viscosity field and the total viscous dissipation are recoverable. Finally, a model of a subducting plate shows that a localized weak zone at the plate boundary can be partially recovered, especially with TV regularization.

Proton beam deflection in MRI fields: Implications for MRI-guided proton therapy.

PubMed

Oborn, B M; Dowdell, S; Metcalfe, P E; Crozier, S; Mohan, R; Keall, P J

2015-05-01

This paper investigates, via magnetic modeling and Monte Carlo simulation, the ability to deliver proton beams to the treatment zone inside a split-bore MRI-guided proton therapy system. Field maps from a split-bore 1 T MRI-Linac system are used as input to geant4 Monte Carlo simulations which model the trajectory of proton beams during their paths to the isocenter of the treatment area. Both inline (along the MRI bore) and perpendicular (through the split-bore gap) orientations are simulated. Monoenergetic parallel and diverging beams of energy 90, 195, and 300 MeV starting from 1.5 and 5 m above isocenter are modeled. A phase space file detailing a 2D calibration pattern is used to set the particle starting positions, and their spatial location as they cross isocenter is recorded. No beam scattering, collimation, or modulation of the proton beams is modeled. In the inline orientation, the radial symmetry of the solenoidal style fringe field acts to rotate the protons around the beam's central axis. For protons starting at 1.5 m from isocenter, this rotation is 19° (90 MeV) and 9.8° (300 MeV). A minor focusing toward the beam's central axis is also seen, but only significant, i.e., 2 mm shift at 150 mm off-axis, for 90 MeV protons. For the perpendicular orientation, the main MRI field and near fringe field act as the strongest to deflect the protons in a consistent direction. When starting from 1.5 m above isocenter shifts of 135 mm (90 MeV) and 65 mm (300 MeV) were observed. Further to this, off-axis protons are slightly deflected toward or away from the central axis in the direction perpendicular to the main deflection direction. This leads to a distortion of the phase space pattern, not just a shift. This distortion increases from zero at the central axis to 10 mm (90 MeV) and 5 mm (300 MeV) for a proton 150 mm off-axis. In both orientations, there is a small but subtle difference in the deflection and distortion pattern between protons fired parallel to the beam axis and those fired from a point source. This is indicative of the 3D spatially variant nature of the MRI fringe field. For the first time, accurate magnetic and Monte Carlo modeling have been used to assess the transport of generic proton beams toward a 1 T split-bore MRI. Significant rotation is observed in the inline orientation, while more complex deflection and distortion are seen in the perpendicular orientation. The results of this study suggest that due to the complexity and energy-dependent nature of the magnetic deflection and distortion, the pencil beam scanning method will be the only choice for delivering a therapeutic proton beam inside a potential MRI-guided proton therapy system in either the inline or perpendicular orientation. Further to this, significant correction strategies will be required to account for the MRI fringe fields.

Spin splitting in band structures of BiTeX (X=Cl, Br, I) monolayers

NASA Astrophysics Data System (ADS)

Hvazdouski, D. C.; Baranava, M. S.; Stempitsky, V. R.

2018-04-01

In systems with breaking of inversion symmetry a perpendicular electric field arises that interacts with the conduction electrons. It may give rise to electron state splitting even without influence of external magnetic field due to the spin-orbital interaction (SOI). Such a removal of the spin degeneracy is called the Rashba effect. Nanostructure with the Rashba effect can be part of a spin transistor. Spin degeneracy can be realized in a channel from a material of this type without additive of magnetic ions. Lack of additive increases the charge carrier mobility and reliability of the device. Ab initio simulations of BiTeX (X=Cl, Br, I) monolayers have been carried out using VASP wherein implemented DFT method. The study of this structures is of interest because such sort of structures can be used their as spin-orbitronics materials. The crystal parameters of BiTeCl, BiTeBr, BiTeI have been determined by the ionic relaxation and static calculations. It is necessary to note that splitting of energy bands occurs in case of SOI included. The values of the Rashba coefficient aR (in the range from 6.25 to 10.00 eV·Å) have high magnitudes for spintronics materials. Band structure of monolayers structures have ideal Rashba electron gas, i.e. there no other energy states near to Fermi level except Rashba states.

Split-wedge antennas with sub-5 nm gaps for plasmonic nanofocusing

DOE PAGES

Chen, Xiaoshu; Lindquist, Nathan C.; Klemme, Daniel J.; ...

2016-11-22

Here, we present a novel plasmonic antenna structure, a split-wedge antenna, created by splitting an ultrasharp metallic wedge with a nanogap perpendicular to its apex. The nanogap can tightly confine gap plasmons and boost the local optical field intensity in and around these opposing metallic wedge tips. This three-dimensional split-wedge antenna integrates the key features of nanogaps and sharp tips, i.e., tight field confinement and three-dimensional nanofocusing, respectively, into a single platform. We fabricate split-wedge antennas with gaps that are as small as 1 nm in width at the wafer scale by combining silicon V-grooves with template stripping and atomicmore » layer lithography. Computer simulations show that the field enhancement and confinement are stronger at the tip–gap interface compared to what standalone tips or nanogaps produce, with electric field amplitude enhancement factors exceeding 50 when near-infrared light is focused on the tip–gap geometry. The resulting nanometric hotspot volume is on the order of λ 3/10 6. Experimentally, Raman enhancement factors exceeding 10 7 are observed from a 2 nm gap split-wedge antenna, demonstrating its potential for sensing and spectroscopy applications.« less

Split-Wedge Antennas with Sub-5 nm Gaps for Plasmonic Nanofocusing

PubMed Central

2016-01-01

We present a novel plasmonic antenna structure, a split-wedge antenna, created by splitting an ultrasharp metallic wedge with a nanogap perpendicular to its apex. The nanogap can tightly confine gap plasmons and boost the local optical field intensity in and around these opposing metallic wedge tips. This three-dimensional split-wedge antenna integrates the key features of nanogaps and sharp tips, i.e., tight field confinement and three-dimensional nanofocusing, respectively, into a single platform. We fabricate split-wedge antennas with gaps that are as small as 1 nm in width at the wafer scale by combining silicon V-grooves with template stripping and atomic layer lithography. Computer simulations show that the field enhancement and confinement are stronger at the tip–gap interface compared to what standalone tips or nanogaps produce, with electric field amplitude enhancement factors exceeding 50 when near-infrared light is focused on the tip–gap geometry. The resulting nanometric hotspot volume is on the order of λ3/106. Experimentally, Raman enhancement factors exceeding 107 are observed from a 2 nm gap split-wedge antenna, demonstrating its potential for sensing and spectroscopy applications. PMID:27960527

Polarizability tensor retrieval for magnetic and plasmonic antenna design

NASA Astrophysics Data System (ADS)

Bernal Arango, Felipe; Femius Koenderink, A.

2013-07-01

A key quantity in the design of plasmonic antennas and metasurfaces, as well as metamaterials, is the electrodynamic polarizability of a single scattering building block. In particular, in the current merging of plasmonics and metamaterials, subwavelength scatterers are judged by their ability to present a large, generally anisotropic electric and magnetic polarizability, as well as a bi-anisotropic magnetoelectric polarizability. This bi-anisotropic response, whereby a magnetic dipole is induced through electric driving, and vice versa, is strongly linked to the optical activity and chiral response of plasmonic metamolecules. We present two distinct methods to retrieve the polarizibility tensor from electrodynamic simulations. As a basis for both, we use the surface integral equation (SIE) method to solve for the scattering response of arbitrary objects exactly. In the first retrieval method, we project scattered fields onto vector spherical harmonics with the aid of an exact discrete spherical harmonic Fourier transform on the unit sphere. In the second, we take the effective current distributions generated by SIE as a basis to calculate dipole moments. We verify that the first approach holds for scatterers of any size, while the second is only approximately correct for small scatterers. We present benchmark calculations, revisiting the zero-forward scattering paradox of Kerker et al (1983 J. Opt. Soc. Am. 73 765-7) and Alù and Engheta (2010 J. Nanophoton. 4 041590), relevant in dielectric scattering cancelation and sensor cloaking designs. Finally, we report the polarizability tensor of split rings, and show that split rings will strongly influence the emission of dipolar single emitters. In the context of plasmon-enhanced emission, split rings can imbue their large magnetic dipole moment on the emission of simple electric dipole emitters. We present a split ring antenna array design that is capable of converting the emission of a single linear dipole emitter in forward and backward beams of directional emission of opposite handedness. This design can, for instance, find application in the spin angular momentum encoding of quantum information.

Effect of natural homointerfaces on the magnetic properties of pseudomorphic La0.7Sr0.3MnO3 thin film: Phase separation vs split domain structure

NASA Astrophysics Data System (ADS)

Congiu, Francesco; Sanna, Carla; Maritato, Luigi; Orgiani, Pasquale; Geddo Lehmann, Alessandra

2016-12-01

We studied the effect of naturally formed homointerfaces on the magnetic and electric transport behavior of a heavily twinned, 40 nm thick, pseudomorphic epitaxial film of La0.7Sr0.3MnO3 deposited by molecular beam epitaxy on ferroelastic LaAlO3(001) substrate. As proved by high resolution X-ray diffraction analysis, the lamellar twin structure of the substrate is imprinted in La0.7Sr0.3MnO3. In spite of the pronounced thermomagnetic irreversibility in the DC low field magnetization, spin-glass-like character, possibly related to the structural complexity, was ruled out, on the base of AC susceptibility results. The magnetic characterization indicates anisotropic ferromagnetism, with a saturation magnetization Ms = 3.2 μB/Mn, slightly reduced with respect to the fully polarized value of 3.7 μB/Mn. The low field DC magnetization vs temperature is non bulklike, with a two step increase in the field cooled MFC(T) branch and a two peak structure in the zero field cooled MZFC(T) one. Correspondingly, two peaks are present in the resistivity vs temperature ρ(T) curve. With reference to the behavior of epitaxial manganites deposited on bicrystal substrates, results are discussed in terms of a two phase model, in which each couple of adjacent ferromagnetic twin cores, with bulklike TC = 370 K, is separated by a twin boundary with lower Curie point TC = 150 K, acting as barrier for spin polarized transport. The two phase scenario is compared with the alternative one based on a single ferromagnetic phase with the peculiar ferromagnetic domains structure inherent to twinned manganites films, reported to be split into interconnected and spatially separated regions with in-plane and out-of-plane magnetization, coinciding with twin cores and twin boundaries respectively.

High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: the role of 4f electrons.

PubMed

Kumari, Sudesh; Roudjane, Mourad; Hewage, Dilrukshi; Liu, Yang; Yang, Dong-Sheng

2013-04-28

Cerium, praseodymium, and neodymium complexes of 1,3,5,7-cyclooctatetraene (COT) complexes were produced in a laser-vaporization metal cluster source and studied by pulsed-field ionization zero electron kinetic energy spectroscopy and quantum chemical calculations. The computations included the second-order Møller-Plesset perturbation theory, the coupled cluster method with single, double, and perturbative triple excitations, and the state-average complete active space self-consistent field method. The spectrum of each complex exhibits multiple band systems and is assigned to ionization of several low-energy electronic states of the neutral complex. This observation is different from previous studies of M(COT) (M = Sc, Y, La, and Gd), for which a single band system was observed. The presence of the multiple low-energy electronic states is caused by the splitting of the partially filled lanthanide 4f orbitals in the ligand field, and the number of the low-energy states increases rapidly with increasing number of the metal 4f electrons. On the other hand, the 4f electrons have a small effect on the geometries and vibrational frequencies of these lanthanide complexes.

Iron oxide nanoparticles in NaA zeolite cages

NASA Astrophysics Data System (ADS)

Kulshreshtha, S. K.; Vijayalakshmi, R.; Sudarsan, V.; Salunke, H. G.; Bhargava, S. C.

2013-07-01

Zeolite NaA samples with varying concentration of Fe3+ ions have been prepared by wet chemical method. Based on powder X-ray diffraction, 29Si and 27Al MAS NMR and Fe3+ EPR investigations, the formation of nano-sized ferric oxide particles inside the larger α-cages of zeolite NaA has been established. Both Mössbauer effect and magnetization measurements carried out down to 4.5 K established the superparamagnetic behaviour of these Fe2O3 particles with a blocking temperature of ≈20 K, where the magnetization values showed deviation for the zero field cooled and field cooled samples and the appearance of a very narrow magnetic hysteresis loop below this temperature. For all Fe3+ containing samples the room temperature Mössbauer spectrum is a broad quadrupole doublet with chemical shift, δ ≈ 0.33 mm/s and quadrupole splitting, ΔEq ≈ 0.68 mm/s. Variable temperature 57Fe Mössbauer effect measurements exhibited magnetic features below the blocking temperature and at 4.5 K, the observed spectrum is a broad magnetic sextet characterized by an internal hyperfine field value of ≈504 kOe along with a very weak central superparamagnetic quadrupole doublet.

Assessment and Selection of Competing Models for Zero-Inflated Microbiome Data

PubMed Central

Xu, Lizhen; Paterson, Andrew D.; Turpin, Williams; Xu, Wei

2015-01-01

Typical data in a microbiome study consist of the operational taxonomic unit (OTU) counts that have the characteristic of excess zeros, which are often ignored by investigators. In this paper, we compare the performance of different competing methods to model data with zero inflated features through extensive simulations and application to a microbiome study. These methods include standard parametric and non-parametric models, hurdle models, and zero inflated models. We examine varying degrees of zero inflation, with or without dispersion in the count component, as well as different magnitude and direction of the covariate effect on structural zeros and the count components. We focus on the assessment of type I error, power to detect the overall covariate effect, measures of model fit, and bias and effectiveness of parameter estimations. We also evaluate the abilities of model selection strategies using Akaike information criterion (AIC) or Vuong test to identify the correct model. The simulation studies show that hurdle and zero inflated models have well controlled type I errors, higher power, better goodness of fit measures, and are more accurate and efficient in the parameter estimation. Besides that, the hurdle models have similar goodness of fit and parameter estimation for the count component as their corresponding zero inflated models. However, the estimation and interpretation of the parameters for the zero components differs, and hurdle models are more stable when structural zeros are absent. We then discuss the model selection strategy for zero inflated data and implement it in a gut microbiome study of > 400 independent subjects. PMID:26148172

Assessment and Selection of Competing Models for Zero-Inflated Microbiome Data.

PubMed

Xu, Lizhen; Paterson, Andrew D; Turpin, Williams; Xu, Wei

2015-01-01

Typical data in a microbiome study consist of the operational taxonomic unit (OTU) counts that have the characteristic of excess zeros, which are often ignored by investigators. In this paper, we compare the performance of different competing methods to model data with zero inflated features through extensive simulations and application to a microbiome study. These methods include standard parametric and non-parametric models, hurdle models, and zero inflated models. We examine varying degrees of zero inflation, with or without dispersion in the count component, as well as different magnitude and direction of the covariate effect on structural zeros and the count components. We focus on the assessment of type I error, power to detect the overall covariate effect, measures of model fit, and bias and effectiveness of parameter estimations. We also evaluate the abilities of model selection strategies using Akaike information criterion (AIC) or Vuong test to identify the correct model. The simulation studies show that hurdle and zero inflated models have well controlled type I errors, higher power, better goodness of fit measures, and are more accurate and efficient in the parameter estimation. Besides that, the hurdle models have similar goodness of fit and parameter estimation for the count component as their corresponding zero inflated models. However, the estimation and interpretation of the parameters for the zero components differs, and hurdle models are more stable when structural zeros are absent. We then discuss the model selection strategy for zero inflated data and implement it in a gut microbiome study of > 400 independent subjects.

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

NASA Astrophysics Data System (ADS)

Wang, Yimin; Braams, Bastiaan J.; Bowman, Joel M.; Carter, Stuart; Tew, David P.

2008-06-01

Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcal/mol, in excellent agreement with the reported ab initio value. Model one-dimensional and ``exact'' full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased ``fixed-node'' diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm-1 in Cartesian coordinates and 22.6 cm-1 in normal coordinates, with an uncertainty of 2-3 cm-1. This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm-1. The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm-1. These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm-1, and agree well with the experimental values of 21.6 and 2.9 cm-1 for the H and D transfer, respectively.

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

PubMed

Wang, Yimin; Braams, Bastiaan J; Bowman, Joel M; Carter, Stuart; Tew, David P

2008-06-14

Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcalmol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively.

Propagation-invariant beams with quantum pendulum spectra: from Bessel beams to Gaussian beam-beams.

PubMed

Dennis, Mark R; Ring, James D

2013-09-01

We describe a new class of propagation-invariant light beams with Fourier transform given by an eigenfunction of the quantum mechanical pendulum. These beams, whose spectra (restricted to a circle) are doubly periodic Mathieu functions in azimuth, depend on a field strength parameter. When the parameter is zero, pendulum beams are Bessel beams, and as the parameter approaches infinity, they resemble transversely propagating one-dimensional Gaussian wave packets (Gaussian beam-beams). Pendulum beams are the eigenfunctions of an operator that interpolates between the squared angular momentum operator and the linear momentum operator. The analysis reveals connections with Mathieu beams, and insight into the paraxial approximation.

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.

Free-vibration characteristics of a large split-blanket solar array in a 1-g field

NASA Technical Reports Server (NTRS)

Shaker, F. J.

1976-01-01

Two methods for studying the free vibration characteristics of a large split blanket solar array in both a 0-g and a 1-g cantilevered configuration are presented. The 0-g configuration corresponds to an in-orbit configuration of the array; the 1-g configuration is a typical ground test configuration. The first method applies the equations of continuum mechanics to determine the mode shapes and frequencies of the array; the second method uses the Rayleigh-Ritz approach. In the Rayleigh-Ritz method the array displacements are represented by string modes and cantilevered beam modes. The results of this investigation are summarized by a series of graphs illustrating the effects of various array parameters on the mode shapes and frequencies of the system. The results of the two methods are also compared in tabular form.

Effectiveness, active energy produced by molecular motors, and nonlinear capacitance of the cochlear outer hair cell.

PubMed

Spector, Alexander A

2005-06-01

Cochlear outer hair cells are crucial for active hearing. These cells have a unique form of motility, named electromotility, whose main features are the cell's length changes, active force production, and nonlinear capacitance. The molecular motor, prestin, that drives outer hair cell electromotility has recently been identified. We reveal relationships between the active energy produced by the outer hair cell molecular motors, motor effectiveness, and the capacitive properties of the cell membrane. We quantitatively characterize these relationships by introducing three characteristics: effective capacitance, zero-strain capacitance, and zero-resultant capacitance. We show that zero-strain capacitance is smaller than zero-resultant capacitance, and that the effective capacitance is between the two. It was also found that the differences between the introduced capacitive characteristics can be expressed in terms of the active energy produced by the cell's molecular motors. The effectiveness of the cell and its molecular motors is introduced as the ratio of the motors'active energy to the energy of the externally applied electric field. It is shown that the effectiveness is proportional to the difference between zero-strain and zero-resultant capacitance. We analyze the cell and motor's effectiveness within a broad range of cellular parameters and estimate it to be within a range of 12%-30%.

Spin splitting generated in a Y-shaped semiconductor nanostructure with a quantum point contact

NASA Astrophysics Data System (ADS)

Wójcik, P.; Adamowski, J.; Wołoszyn, M.; Spisak, B. J.

2015-07-01

We have studied the spin splitting of the current in the Y-shaped semiconductor nanostructure with a quantum point contact (QPC) in a perpendicular magnetic field. Our calculations show that the appropriate tuning of the QPC potential and the external magnetic field leads to an almost perfect separation of the spin-polarized currents: electrons with opposite spins flow out through different output branches. The spin splitting results from the joint effect of the QPC, the spin Zeeman splitting, and the electron transport through the edge states formed in the nanowire at the sufficiently high magnetic field. The Y-shaped nanostructure can be used to split the unpolarized current into two spin currents with opposite spins as well as to detect the flow of the spin current. We have found that the separation of the spin currents is only slightly affected by the Rashba spin-orbit coupling. The spin-splitter device is an analogue of the optical device—the birefractive crystal that splits the unpolarized light into two beams with perpendicular polarizations. In the magnetic-field range, in which the current is carried through the edges states, the spin splitting is robust against the spin-independent scattering. This feature opens up a possibility of the application of the Y-shaped nanostructure as a non-ballistic spin-splitter device in spintronics.

Spin splitting generated in a Y-shaped semiconductor nanostructure with a quantum point contact

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

Wójcik, P., E-mail: pawel.wojcik@fis.agh.edu.pl; Adamowski, J., E-mail: janusz.adamowski@fis.agh.edu.pl; Wołoszyn, M.

2015-07-07

We have studied the spin splitting of the current in the Y-shaped semiconductor nanostructure with a quantum point contact (QPC) in a perpendicular magnetic field. Our calculations show that the appropriate tuning of the QPC potential and the external magnetic field leads to an almost perfect separation of the spin-polarized currents: electrons with opposite spins flow out through different output branches. The spin splitting results from the joint effect of the QPC, the spin Zeeman splitting, and the electron transport through the edge states formed in the nanowire at the sufficiently high magnetic field. The Y-shaped nanostructure can be usedmore » to split the unpolarized current into two spin currents with opposite spins as well as to detect the flow of the spin current. We have found that the separation of the spin currents is only slightly affected by the Rashba spin-orbit coupling. The spin-splitter device is an analogue of the optical device—the birefractive crystal that splits the unpolarized light into two beams with perpendicular polarizations. In the magnetic-field range, in which the current is carried through the edges states, the spin splitting is robust against the spin-independent scattering. This feature opens up a possibility of the application of the Y-shaped nanostructure as a non-ballistic spin-splitter device in spintronics.« less

Zero-voltage DC/DC converter with asymmetric pulse-width modulation for DC micro-grid system

NASA Astrophysics Data System (ADS)

Lin, Bor-Ren

2018-04-01

This paper presents a zero-voltage switching DC/DC converter for DC micro-grid system applications. The proposed circuit includes three half-bridge circuit cells connected in primary-series and secondary-parallel in order to lessen the voltage rating of power switches and current rating of rectifier diodes. Thus, low voltage stress of power MOSFETs can be adopted for high-voltage input applications with high switching frequency operation. In order to achieve low switching losses and high circuit efficiency, asymmetric pulse-width modulation is used to turn on power switches at zero voltage. Flying capacitors are used between each circuit cell to automatically balance input split voltages. Therefore, the voltage stress of each power switch is limited at Vin/3. Finally, a prototype is constructed and experiments are provided to demonstrate the circuit performance.

Rapid production of optimal-quality reduced-resolution representations of very large databases

DOEpatents

Sigeti, David E.; Duchaineau, Mark; Miller, Mark C.; Wolinsky, Murray; Aldrich, Charles; Mineev-Weinstein, Mark B.

2001-01-01

View space representation data is produced in real time from a world space database representing terrain features. The world space database is first preprocessed. A database is formed having one element for each spatial region corresponding to a finest selected level of detail. A multiresolution database is then formed by merging elements and a strict error metric is computed for each element at each level of detail that is independent of parameters defining the view space. The multiresolution database and associated strict error metrics are then processed in real time for real time frame representations. View parameters for a view volume comprising a view location and field of view are selected. The error metric with the view parameters is converted to a view-dependent error metric. Elements with the coarsest resolution are chosen for an initial representation. Data set first elements from the initial representation data set are selected that are at least partially within the view volume. The first elements are placed in a split queue ordered by the value of the view-dependent error metric. If the number of first elements in the queue meets or exceeds a predetermined number of elements or whether the largest error metric is less than or equal to a selected upper error metric bound, the element at the head of the queue is force split and the resulting elements are inserted into the queue. Force splitting is continued until the determination is positive to form a first multiresolution set of elements. The first multiresolution set of elements is then outputted as reduced resolution view space data representing the terrain features.

Spatiotemporal splitting of global eigenmodes due to cross-field coupling via vortex dynamics in drift wave turbulence.

PubMed

Brandt, C; Thakur, S C; Light, A D; Negrete, J; Tynan, G R

2014-12-31

Spatiotemporal splitting events of drift wave (DW) eigenmodes due to nonlinear coupling are investigated in a cylindrical helicon plasma device. DW eigenmodes in the radial-azimuthal cross section have been experimentally observed to split at radial locations and recombine into the global eigenmode with a time shorter than the typical DW period (t≪fDW(-1)). The number of splits correlates with the increase of turbulence. The observed dynamics can be theoretically reproduced by a Kuramoto-type model of a network of radially coupled azimuthal eigenmodes. Coupling by E×B-vortex convection cell dynamics and ion gyro radii motion leads to cross-field synchronization and occasional mode splitting events.

Crack problem in superconducting cylinder with exponential distribution of critical-current density

NASA Astrophysics Data System (ADS)

Zhao, Yufeng; Xu, Chi; Shi, Liang

2018-04-01

The general problem of a center crack in a long cylindrical superconductor with inhomogeneous critical-current distribution is studied based on the extended Bean model for zero-field cooling (ZFC) and field cooling (FC) magnetization processes, in which the inhomogeneous parameter η is introduced for characterizing the critical-current density distribution in inhomogeneous superconductor. The effect of the inhomogeneous parameter η on both the magnetic field distribution and the variations of the normalized stress intensity factors is also obtained based on the plane strain approach and J-integral theory. The numerical results indicate that the exponential distribution of critical-current density will lead a larger trapped field inside the inhomogeneous superconductor and cause the center of the cylinder to fracture more easily. In addition, it is worth pointing out that the nonlinear field distribution is unique to the Bean model by comparing the curve shapes of the magnetization loop with homogeneous and inhomogeneous critical-current distribution.

Electric field metrology for SI traceability: Systematic measurement uncertainties in electromagnetically induced transparency in atomic vapor

NASA Astrophysics Data System (ADS)

Holloway, Christopher L.; Simons, Matt T.; Gordon, Joshua A.; Dienstfrey, Andrew; Anderson, David A.; Raithel, Georg

2017-06-01

We investigate the relationship between the Rabi frequency (ΩRF, related to the applied electric field) and Autler-Townes (AT) splitting, when performing atom-based radio-frequency (RF) electric (E) field strength measurements using Rydberg states and electromagnetically induced transparency (EIT) in an atomic vapor. The AT splitting satisfies, under certain conditions, a well-defined linear relationship with the applied RF field amplitude. The EIT/AT-based E-field measurement approach derived from these principles is currently being investigated by several groups around the world as a means to develop a new SI-traceable RF E-field measurement technique. We establish conditions under which the measured AT-splitting is an approximately linear function of the RF electric field. A quantitative description of systematic deviations from the linear relationship is key to exploiting EIT/AT-based atomic-vapor spectroscopy for SI-traceable field measurement. We show that the linear relationship is valid and can be used to determine the E-field strength, with minimal error, as long as the EIT linewidth is small compared to the AT-splitting. We also discuss interesting aspects of the thermal dependence (i.e., hot- versus cold-atom) of this EIT-AT technique. An analysis of the transition from cold- to hot-atom EIT in a Doppler-mismatched cascade system reveals a significant change of the dependence of the EIT linewidth on the optical Rabi frequencies and of the AT-splitting on ΩRF.

Conceptual design of the superconducting magnet for the 250 MeV proton cyclotron.

PubMed

Ren, Yong; Liu, Xiaogang; Gao, Xiang

2016-01-01

The superconducting cyclotron is of great importance to treat cancer parts of the body. To reduce the operation costs, a superconducting magnet system for the 250 MeV proton cyclotron was designed to confirm the feasibility of the superconducting cyclotron. The superconducting magnet system consists of a pair of split coils, the cryostat and a pair of binary high temperature superconductor current leads. The superconducting magnet can reach a central magnetic field of about 1.155 T at 160 A. The three GM cryocooler with cooling capacities of 1.5 W at 4.5 K and 35 W at 50 K and one GM cryocooler of 100 W at 50 K were adopted to cool the superconducting magnet system through the thermosiphon technology. The four GM cryocoolers were used to cool the superconducting magnet to realize zero evaporation of the liquid helium.

Laser profile changes due to photon-axion induced beam splitting

NASA Astrophysics Data System (ADS)

Scarlett, Carol

2013-09-01

This paper looks at a potentially unique measurable due to photon-axion coupling in an external magnetic field. Traditionally, detection of such a coupling has focused on observation of an optical rotation of the beam's polarization due to either a birefringence or a path length difference (p.l.d.) between two polarization states. Such experiments, utilizing mirror cavities, have been significantly limited in sensitivity; approaching coupling strengths of ~ga=10-7 GeV-1. Here the bifurcation of a beam in a cavity is explored along with the possibility of measuring its influence on the photon density. Simulations indicate that coupling to levels ga~10-12 are, with an appropriate choice of cavity, within measurable limits. This is due to a rapid growth of a signal defined by the energy loss from the center accompanying an increase in the region beyond the beam waist. Finally, the influence of a non-zero axion mass is explored.

Stable diffraction-management soliton in a periodic structure with alternating left-handed and right-handed media

NASA Astrophysics Data System (ADS)

Zhang, Jinggui

2017-09-01

In this paper, we first derive a modified two-dimensional non-linear Schrödinger equation including high-order diffraction (HOD) suitable for the propagation of optical beam near the low-diffraction regime in Kerr non-linear media with spatial dispersion. Then, we apply our derived physical model to a designed two-dimensional configuration filled with alternate layers of a left-handed material (LHM) and a right-handed media by employing the mean-field theory. It is found that the periodic structure including LHM may experience diminished, cancelled, and even reversed diffraction behaviours through engineering the relative thickness between both media. In particular, the variational method analytically predicts that close to the zero-diffraction regime, such periodic structure can support stable diffraction-management solitons whose beamwidth and peak amplitude evolve periodically with the help of HOD effect. Numerical simulation based on the split-step Fourier method confirms the analytical results.

Preparation and physical properties of polycrystalline (Bi1-xPbx)2Sr2Ca2Cu3Oy high T c superconductors

NASA Astrophysics Data System (ADS)

Awan, M. S.; Maqsood, M.; Mirza, S. A.; Yousaf, M.; Maqsood, A.

1995-02-01

(Bi1-xPbx:)2Sr2Ca2Cu3Oy ( x = 0.3) high critical transition temperature ( T c) superconductors are synthesized by the solid-state reaction method in polycrystalline form. X-ray diffraction (XRD) studies, direct current (dc) electrical resistivity measurements, scanning electron microscopic (SEM) studies, critical current density measurements, and zero-field alternating current (ac) susceptibility measurements are performed to investigate the physical changes, structural changes, and magnetic behavior of the superconducting samples. X-ray diffraction studies show that a high T c phase exists with orthorhombic symmetry in the specimen. According to the XRD data, the lattice parameters of the high T c phase were determined as a = 0.537(1) nm, b = 0.539(1) nm, and c = 3.70(1) nm. The compound exhibits a superconducting transition at 106 ±1 K for zero resistance. The ac susceptibility measurements in zero field confirm the dc electrical resistivity results; hence both support the XRD results. The particle size and structural changes as a function of the cold-pressing and aging effect are also reported.

Tsallis entropy and decoherence of CsI quantum pseudo dot qubit

NASA Astrophysics Data System (ADS)

Tiotsop, M.; Fotue, A. J.; Fotsin, H. B.; Fai, L. C.

2017-05-01

Polaron in CsI quantum pseudo dot under an electromagnetic field was considered, and the ground and first excited state energies were derived by employing the combining Pekar variational and unitary transformation methods. With the two-level system obtained, single qubit was envisioned and the decoherence was studied using non-extensive entropy (Tsallis entropy). Numerical results showed: (i) the increase (decrease) of the energy levels (period of oscillation) with the increase of chemical potential, the zero point of pseudo dot, cyclotron frequency, and transverse and longitudinal confinements; (ii) the Tsallis entropy evolved as a wave envelop that increase with the increase of non-extenxive parameter and with the increase of electric field strength, zero point of pseudo dot and cyclotron frequency the wave envelop evolve periodically with reduction of period; (iii) The transition probability increases from the boundary to the centre of the dot where it has its maximum value. It was also noted that the probability density oscillate with period T0 = ℏ / Δ Ε with the tunnelling of the chemical potential and zero point of the pseudo dot. These results are helpful in the control of decoherence in quantum systems and may also be useful for the design of quantum computers.

TBIEM3D: A Computer Program for Predicting Ducted Fan Engine Noise. Version 1.1

NASA Technical Reports Server (NTRS)

Dunn, M. H.

1997-01-01

This document describes the usage of the ducted fan noise prediction program TBIEM3D (Thin duct - Boundary Integral Equation Method - 3 Dimensional). A scattering approach is adopted in which the acoustic pressure field is split into known incident and unknown scattered parts. The scattering of fan-generated noise by a finite length circular cylinder in a uniform flow field is considered. The fan noise is modeled by a collection of spinning point thrust dipoles. The program, based on a Boundary Integral Equation Method (BIEM), calculates circumferential modal coefficients of the acoustic pressure at user-specified field locations. The duct interior can be of the hard wall type or lined. The duct liner is axisymmetric, locally reactive, and can be uniform or axially segmented. TBIEM3D is written in the FORTRAN programming language. Input to TBIEM3D is minimal and consists of geometric and kinematic parameters. Discretization and numerical parameters are determined automatically by the code. Several examples are presented to demonstrate TBIEM3D capabilities.

Spectroscopic studies and crystal-field analyses of Am{sup 3+}: LiYF{sub 4}

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

Cavellec, R.; Hubert, S.; Simoni, E.

1997-03-01

Fluorescence and laser selective excitation spectroscopy have been used to investigate the electronic energy level structure of the actinide Am{sup 3+} (5{line_integral}{sup 6}) in LiYF{sub 4}. From the analysis of the fluorescence in the visible and infrared spectra obtained at 10K, 29 crystal-field levels have been assigned in the D{sub 2d} approximation. Zeeman splitting observation permits one to index some doubly degenerated {Gamma}{sub 5} levels. The phenomenological crystal-field parameters have been calculated in the D{sub 2d} approximation. A least-square adjustment yields a mean error of 38 cm{sup {minus}1} with the following values (in cm{sup {minus}1}) of the B{sub q}{sup k}more » parameters: B{sub O}{sup 2} = 473, B{sub 0}{sup 4} = -1776, B{sub 4}{sup 4}=2253, B{sub 0}{sup 6} = 80, and B{sub 4}{sup 6} = -2222.« less

Numerical solutions of Navier-Stokes equations for a Butler wing

NASA Technical Reports Server (NTRS)

Abolhassani, J. S.; Tiwari, S. N.

1985-01-01

The flow field is simulated on the surface of a given delta wing (Butler wing) at zero incident in a uniform stream. The simulation is done by integrating a set of flow field equations. This set of equations governs the unsteady, viscous, compressible, heat conducting flow of an ideal gas. The equations are written in curvilinear coordinates so that the wing surface is represented accurately. These equations are solved by the finite difference method, and results obtained for high-speed freestream conditions are compared with theoretical and experimental results. In this study, the Navier-Stokes equations are solved numerically. These equations are unsteady, compressible, viscous, and three-dimensional without neglecting any terms. The time dependency of the governing equations allows the solution to progress naturally for an arbitrary initial initial guess to an asymptotic steady state, if one exists. The equations are transformed from physical coordinates to the computational coordinates, allowing the solution of the governing equations in a rectangular parallel-piped domain. The equations are solved by the MacCormack time-split technique which is vectorized and programmed to run on the CDC VPS 32 computer.

Magnetic blocking in a linear iron(I) complex.

PubMed

Zadrozny, Joseph M; Xiao, Dianne J; Atanasov, Mihail; Long, Gary J; Grandjean, Fernande; Neese, Frank; Long, Jeffrey R

2013-07-01

Single-molecule magnets that contain one spin centre may represent the smallest possible unit for spin-based computational devices. Such applications, however, require the realization of molecules with a substantial energy barrier for spin inversion, achieved through a large axial magnetic anisotropy. Recently, significant progress has been made in this regard by using lanthanide centres such as terbium(III) and dysprosium(III), whose anisotropy can lead to extremely high relaxation barriers. We contend that similar effects should be achievable with transition metals by maintaining a low coordination number to restrict the magnitude of the d-orbital ligand-field splitting energy (which tends to hinder the development of large anisotropies). Herein we report the first two-coordinate complex of iron(I), [Fe(C(SiMe3)3)2](-), for which alternating current magnetic susceptibility measurements reveal slow magnetic relaxation below 29 K in a zero applied direct-current field. This S =  complex exhibits an effective spin-reversal barrier of Ueff = 226(4) cm(-1), the largest yet observed for a single-molecule magnet based on a transition metal, and displays magnetic blocking below 4.5 K.

In-beam measurement of the hydrogen hyperfine splitting and prospects for antihydrogen spectroscopy

NASA Astrophysics Data System (ADS)

Diermaier, M.; Jepsen, C. B.; Kolbinger, B.; Malbrunot, C.; Massiczek, O.; Sauerzopf, C.; Simon, M. C.; Zmeskal, J.; Widmann, E.

2017-06-01

Antihydrogen, the lightest atom consisting purely of antimatter, is an ideal laboratory to study the CPT symmetry by comparison with hydrogen. With respect to absolute precision, transitions within the ground-state hyperfine structure (GS-HFS) are most appealing by virtue of their small energy separation. ASACUSA proposed employing a beam of cold antihydrogen atoms in a Rabi-type experiment, to determine the GS-HFS in a field-free region. Here we present a measurement of the zero-field hydrogen GS-HFS using the spectroscopy apparatus of ASACUSA's antihydrogen experiment. The measured value of νHF=1,420,405,748.4(3.4) (1.6) Hz with a relative precision of 2.7 × 10-9 constitutes the most precise determination of this quantity in a beam and verifies the developed spectroscopy methods for the antihydrogen HFS experiment to the p.p.b. level. Together with the recently presented observation of antihydrogen atoms 2.7 m downstream of the production region, the prerequisites for a measurement with antihydrogen are now available within the ASACUSA collaboration.

Physical properties of i-R-Cd quasicrystals(R = Y, Gd-Tm)

NASA Astrophysics Data System (ADS)

Kong, Tai; Bud'Ko, Sergey L.; Jesche, Anton; Goldman, Alan I.; Kreyssig, Andreas; Dennis, Kevin W.; Ramazanoglu, Mehmet; Canfield, Paul C.; McArthur, John

2014-03-01

Detailed characterization of recently discovered i-R-Cd (R = Y, Gd-Tm) binary quasicrystals by means of room-temperature powder x-ray diffraction, dc and ac magnetization, resistivity and specific heat measurements will be presented. i-Y-Cd is weakly diamagnetic. The dc magnetization of i-R-Cd (R = Gd, Ho-Tm) shows typical spin-glass type splitting between field-cooled (FC) and zero-field-cooled (ZFC) data. i-Tb-Cd and i-Dy-Cd do not show a clear cusp in their ZFC dc magnetization. ac magnetization measured on i-Gd-Cd indicates a clear frequency-dependence and the third-order non-linear magnetization, χ3, is consistent with a spin-glass transition. The resistivity for i-R-Cd is of order 100 μΩ cm and weakly temperature-dependent. No feature that can be associated with long-range magnetic order was observed in any of the measurements. Characteristic freezing temperatures for i-R-Cd (R = Gd-Tm) deviate from ideal de Gennes scaling. This work is supported by the US DOE, Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

Semiconducting-metallic transition of singlecrystalline ferromagnetic Hf-doped CuCr2Se4 spinels

NASA Astrophysics Data System (ADS)

Maciążek, E.; Malicka, E.; Gągor, A.; Stokłosa, Z.; Groń, T.; Sawicki, B.; Duda, H.; Gudwański, A.

2017-09-01

Chalcogenide spinels show a variety of physical properties and are very good candidates for electronic and high-frequency applications. We report the measurements of magnetic susceptibility, magnetic isotherm, electrical conductivity, thermoelectric power and calculations of the superexchange and double-exchange integrals made for singlecrystalline Cu[CrxHfy]Se4 spinels. The results showed a ferromagnetic order of magnetic moments below the Curie temperatures of 390 K and, an increase in the splitting of the zero-field cooled and field cooled susceptibilities with increasing Hf-content below the room temperature suggesting a slight spin-frustration and a rapid transition from semiconducting to metallic state at room temperature. A quantitative evaluation of the exchange Hamiltonian showed that the total hopping integral rapidly decreased and the bandwidth of the 3d t2g band due to Cr3+ and Cr4+ ions strongly narrowed from 0.76 eV for y = 0 to 0.28 eV for y = 0.14. The narrowing of this band appears to be responsible for semiconducting properties of the Hf-doped CuCr2Se4 spinels below the room temperature.

Multifrequency Pulsed EPR Studies of Biologically Relevant Manganese(II) Complexes

PubMed Central

Stich, T. A.; Lahiri, S.; Yeagle, G.; Dicus, M.; Brynda, M.; Gunn, A.; Aznar, C.; DeRose, V. J.; Britt, R. D.

2011-01-01

Electron paramagnetic resonance studies at multiple frequencies (MF EPR) can provide detailed electronic structure descriptions of unpaired electrons in organic radicals, inorganic complexes, and metalloenzymes. Analysis of these properties aids in the assignment of the chemical environment surrounding the paramagnet and provides mechanistic insight into the chemical reactions in which these systems take part. Herein, we present results from pulsed EPR studies performed at three different frequencies (9, 31, and 130 GHz) on [Mn(II)(H2O)6]2+, Mn(II) adducts with the nucleotides ATP and GMP, and the Mn(II)-bound form of the hammerhead ribozyme (MnHH). Through line shape analysis and interpretation of the zero-field splitting values derived from successful simulations of the corresponding continuous-wave and field-swept echo-detected spectra, these data are used to exemplify the ability of the MF EPR approach in distinguishing the nature of the first ligand sphere. A survey of recent results from pulsed EPR, as well as pulsed electron-nuclear double resonance and electron spin echo envelope modulation spectroscopic studies applied to Mn(II)-dependent systems, is also presented. PMID:22190766

In-beam measurement of the hydrogen hyperfine splitting and prospects for antihydrogen spectroscopy.

PubMed

Diermaier, M; Jepsen, C B; Kolbinger, B; Malbrunot, C; Massiczek, O; Sauerzopf, C; Simon, M C; Zmeskal, J; Widmann, E

2017-06-12

Antihydrogen, the lightest atom consisting purely of antimatter, is an ideal laboratory to study the CPT symmetry by comparison with hydrogen. With respect to absolute precision, transitions within the ground-state hyperfine structure (GS-HFS) are most appealing by virtue of their small energy separation. ASACUSA proposed employing a beam of cold antihydrogen atoms in a Rabi-type experiment, to determine the GS-HFS in a field-free region. Here we present a measurement of the zero-field hydrogen GS-HFS using the spectroscopy apparatus of ASACUSA's antihydrogen experiment. The measured value of ν HF =1,420,405,748.4(3.4) (1.6) Hz with a relative precision of 2.7 × 10 -9 constitutes the most precise determination of this quantity in a beam and verifies the developed spectroscopy methods for the antihydrogen HFS experiment to the p.p.b. level. Together with the recently presented observation of antihydrogen atoms 2.7 m downstream of the production region, the prerequisites for a measurement with antihydrogen are now available within the ASACUSA collaboration.

Evolution of frozen magnetic state in co-precipitated ZnδCo1-δFe2O4 (0 ≤ δ ≤ 1) ferrite nanopowders

NASA Astrophysics Data System (ADS)

Kubisztal, M.; Kubisztal, J.; Karolus, M.; Prusik, K.; Haneczok, G.

2018-05-01

The evolution of frozen magnetic state of ZnδCo1-δFe2O4 (0 ≤ δ ≤ 1) ferrite nanoparticles was studied by applying vibrating sample magnetometer measurements in temperature range 5-350 K and magnetic fields up to 7 T. It was shown that gradual conversion from the inverse spinel (δ = 0) to the normal one (δ = 1.0) is correlated with a drop of freezing temperature Tf (corresponding to blocking of mean magnetic moment of the system) from 238 K (δ = 0) to 9 K (δ = 1.0) and with a decrease of magnetic anisotropy constant K1 from about 8 · 105 J/m3 to about 3 · 105 J/m3. The percolation threshold predicted for bulk ferrites at 1 - δ ≈ 0.33 was observed as a significant weakness of ferrimagnetic coupling. In this case magnetization curves, determined according to the zero field cooling protocol, reveal two distinct maxima indicating that the system splits into two assemblies with specific ions distribution between A and B sites.

In-beam measurement of the hydrogen hyperfine splitting and prospects for antihydrogen spectroscopy

PubMed Central

Diermaier, M.; Jepsen, C. B.; Kolbinger, B.; Malbrunot, C.; Massiczek, O.; Sauerzopf, C.; Simon, M. C.; Zmeskal, J.; Widmann, E.

2017-01-01

Antihydrogen, the lightest atom consisting purely of antimatter, is an ideal laboratory to study the CPT symmetry by comparison with hydrogen. With respect to absolute precision, transitions within the ground-state hyperfine structure (GS-HFS) are most appealing by virtue of their small energy separation. ASACUSA proposed employing a beam of cold antihydrogen atoms in a Rabi-type experiment, to determine the GS-HFS in a field-free region. Here we present a measurement of the zero-field hydrogen GS-HFS using the spectroscopy apparatus of ASACUSA's antihydrogen experiment. The measured value of νHF=1,420,405,748.4(3.4) (1.6) Hz with a relative precision of 2.7 × 10−9 constitutes the most precise determination of this quantity in a beam and verifies the developed spectroscopy methods for the antihydrogen HFS experiment to the p.p.b. level. Together with the recently presented observation of antihydrogen atoms 2.7 m downstream of the production region, the prerequisites for a measurement with antihydrogen are now available within the ASACUSA collaboration. PMID:28604657

The influence of magnetic order on the magnetoresistance anisotropy of Fe 1 + δ–xCu xTe

DOE PAGES

Helm, T.; Valdivia, P. N.; Bourret-Courchesne, E.; ...

2017-05-17

In this study, e performed resistance measurements onmore » $$\\text{F}{{\\text{e}}_{1+\\delta -x}}$$ Cu x Te with $${{x}_{\\text{EDX}}}\\leqslant 0.06$$ in the presence of in-plane applied magnetic fields, revealing a resistance anisotropy that can be induced at a temperature far below the structural and magnetic zero-field transition temperatures. The observed resistance anisotropy strongly depends on the field orientation with respect to the crystallographic axes, as well as on the field-cooling history. Our results imply a correlation between the observed features and the low-temperature magnetic order. Hysteresis in the angle-dependence indicates a strong pinning of the magnetic order within a temperature range that varies with the Cu content. The resistance anisotropy vanishes at different temperatures depending on whether an external magnetic field or a remnant field is present: the closing temperature is higher in the presence of an external field. For $${{x}_{\\text{EDX}}}=0.06$$ the resistance anisotropy closes above the structural transition, at the same temperature at which the zero-field short-range magnetic order disappears and the sample becomes paramagnetic. Finally, we suggest that under an external magnetic field the resistance anisotropy mirrors the magnetic order parameter. We discuss similarities to nematic order observed in other iron pnictide materials.« less

Characterization of the hyperfine interaction of the excited D50 state of Eu3 +:Y2SiO5

NASA Astrophysics Data System (ADS)

Cruzeiro, Emmanuel Zambrini; Etesse, Jean; Tiranov, Alexey; Bourdel, Pierre-Antoine; Fröwis, Florian; Goldner, Philippe; Gisin, Nicolas; Afzelius, Mikael

2018-03-01

We characterize the europium (Eu3 +) hyperfine interaction of the excited state (D50) and determine its effective spin Hamiltonian parameters for the Zeeman and quadrupole tensors. An optical free induction decay method is used to measure all hyperfine splittings under a weak external magnetic field (up to 10 mT) for various field orientations. On the basis of the determined Hamiltonian, we discuss the possibility to predict optical transition probabilities between hyperfine levels for the F70⟷D50 transition. The obtained results provide necessary information to realize an optical quantum memory scheme which utilizes long spin coherence properties of 3 + 151Eu :Y2SiO5 material under external magnetic fields.

Transport properties of strongly correlated electrons in quantum dots studied with a simple circuit model.

PubMed

Martins, G B; Büsser, C A; Al-Hassanieh, K A; Anda, E V; Moreo, A; Dagotto, E

2006-02-17

Numerical calculations are shown to reproduce the main results of recent experiments involving nonlocal spin control in quantum dots [Craig, Science 304, 565 (2004).]. In particular, the experimentally reported zero-bias-peak splitting is clearly observed in our studies. To understand these results, a simple "circuit model" is introduced and shown to qualitatively describe the experiments. The main idea is that the splitting originates in a Fano antiresonance, which is caused by having one quantum dot side connected in relation to the current's path. This scenario provides an explanation of the results of Craig et al. that is an alternative to the RKKY proposal, also addressed here.

Exciton polarization, fine-structure splitting, and the asymmetry of quantum dots under uniaxial stress.

PubMed

Gong, Ming; Zhang, Weiwei; Guo, Guang-Can; He, Lixin

2011-06-03

We derive a general relation between the fine-structure splitting (FSS) and the exciton polarization angle of self-assembled quantum dots under uniaxial stress. We show that the FSS lower bound under external stress can be predicted by the exciton polarization angle and FSS under zero stress. The critical stress can also be determined by monitoring the change in exciton polarization angle. We confirm the theory by performing atomistic pseudopotential calculations for the InAs/GaAs quantum dots. The work provides deep insight into the dot asymmetry and their optical properties and a useful guide in selecting quantum dots with the smallest FSS, which are crucial in entangled photon source applications.

Enhanced valley splitting in monolayer WSe2 due to magnetic exchange field.

PubMed

Zhao, Chuan; Norden, Tenzin; Zhang, Peiyao; Zhao, Puqin; Cheng, Yingchun; Sun, Fan; Parry, James P; Taheri, Payam; Wang, Jieqiong; Yang, Yihang; Scrace, Thomas; Kang, Kaifei; Yang, Sen; Miao, Guo-Xing; Sabirianov, Renat; Kioseoglou, George; Huang, Wei; Petrou, Athos; Zeng, Hao

2017-08-01

Exploiting the valley degree of freedom to store and manipulate information provides a novel paradigm for future electronics. A monolayer transition-metal dichalcogenide (TMDC) with a broken inversion symmetry possesses two degenerate yet inequivalent valleys, which offers unique opportunities for valley control through the helicity of light. Lifting the valley degeneracy by Zeeman splitting has been demonstrated recently, which may enable valley control by a magnetic field. However, the realized valley splitting is modest (∼0.2 meV T -1 ). Here we show greatly enhanced valley spitting in monolayer WSe 2 , utilizing the interfacial magnetic exchange field (MEF) from a ferromagnetic EuS substrate. A valley splitting of 2.5 meV is demonstrated at 1 T by magnetoreflectance measurements and corresponds to an effective exchange field of ∼12 T. Moreover, the splitting follows the magnetization of EuS, a hallmark of the MEF. Utilizing the MEF of a magnetic insulator can induce magnetic order and valley and spin polarization in TMDCs, which may enable valleytronic and quantum-computing applications.

Quasiclassical Eilenberger theory of the topological proximity effect in a superconducting nanowire

NASA Astrophysics Data System (ADS)

Stanev, Valentin; Galitski, Victor

2014-05-01

We use the quasiclassical Eilenberger theory to study the topological superconducting proximity effects between a segment of a nanowire with a p-wave order parameter and a metallic segment. This model faithfully represents key qualitative features of an experimental setup, where only a part of a nanowire is in immediate contact with a bulk superconductor, inducing topological superconductivity. It is shown that the Eilenberger equations represent a viable alternative to the Bogoliubov-de Gennes theory of the topological superconducting heterostructures and provide a much simpler quantitative description of some observables. For our setup, we obtain exact analytical solutions for the quasiclassical Green's functions and the density of states as a function of position and energy. The correlations induced by the boundary involve terms associated with both p-wave and odd-frequency pairing, which are intertwined and contribute to observables on an equal footing. We recover the signatures of the standard Majorana mode near the end of the superconducting segment, but find no such localized mode induced in the metallic segment. Instead, the zero-bias feature is spread out across the entire metallic part in accordance with the previous works. In shorter wires, the Majorana mode and delocalized peak split up away from zero energy. For long metallic segments, nontopological Andreev bound states appear and eventually merge together, giving rise to a gapless superconductor.

Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

NASA Astrophysics Data System (ADS)

Kapranov, Sergey V.; Kouzaev, Guennadi A.

2018-01-01

Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.

Frictional sliding inclusions

NASA Astrophysics Data System (ADS)

Huang, Jin H.; Furuhashi, R.; Mura, T.

1993-02-01

S OLUTIONS ARE presented in closed form by using an averaging method for inclusions sliding along an interface due to uniform eigenstrains precribed in the inclusions. The associated stress fields are also analytically determined. A parameter s is introduced to indicate the relative magnitude of sliding compared with the extreme cases of perfect bonding and perfect sliding. When the parameter s becomes zero, the present solution coincides with Eshelby's solution which is the perfectly bonded case. In contrast, when the parameter s is unity, the solution agrees with Volterra's solution (M URA and F URUHASHI, 1984, J. appl. Mech.51, 308] for the perfect sliding case. Because of non-uniform elastic fields caused by sliding along the interface, the well-known Eshelby tensor is modified for the sliding inclusions. Moreover, based on the Mori-Tanaka theory (M ORI and T ANAKA, 1973, Acta Metall.21, 571), an overall stress-strain relation is established to characterize the sliding effect on the overall elastic moduli.

Zero-order metoprolol pharmacokinetics after therapeutic doses: severe toxicity and cardiogenic shock.

PubMed

Isbister, Geoffrey K; Ang, Karyn; Gorman, Kieron; Cooper, Joyce; Mostafa, Ahmed; Roberts, Michael S

2016-11-01

Acute beta-blocker overdose can cause severe cardiac dysfunction. Chronic toxicity is rare but potentially severe. We report therapeutic dosing of metoprolol resulting in unusual pharmacokinetics and toxicity, given high-dose insulin therapy for treatment. A 90-year-old female presented with hypotension, tachycardia and severe cardiac dysfunction after commencing a rapidly increasing metoprolol dose of 250 mg split daily. She was admitted to intensive care and given high-dose insulin therapy (10 U/kg/h), noradrenaline, adrenaline and dobutamine for severe cardiac dysfunction (cardiac index, 0.76 L/min/m 2 ). She developed acute renal failure, ischaemic hepatitis and disseminated intravascular coagulopathy. Inotropes and high-dose insulin were weaned over four days with complete recovery. Metoprolol was quantified with liquid chromatography-tandem mass spectrometry and concentration-time data were analysed using MONOLIX ® vs 4.3 ( www.lixoft.com ). Admission metoprolol concentration was 2.39 μg/mL (therapeutic reference range: 0.035-0.5 μg/mL). Data best fitted a one compartmental model with Michaelis-Menten kinetics and zero order elimination at high concentrations. Final parameter estimates were V, 63.4 L, maximum rate [V m ], 9.57 mg h -1 , Michaelis constant [K m ], 1.97 mg L -1 . Predicted elimination half-life decreased from 20 h over time until there was first order elimination with a half-life 9 h. The time course of cardiac dysfunction was longer than acute overdose but consistent with prolonged zero order elimination of metoprolol, suggesting the patient was a poor CYP2D6 metaboliser. High-dose insulin euglycaemia appeared to be effective in combination with vasoconstrictors/inotropes.

NMR in an electric field: A bulk probe of the hidden spin and orbital polarizations

NASA Astrophysics Data System (ADS)

Ramírez-Ruiz, Jorge; Boutin, Samuel; Garate, Ion

2017-12-01

Recent theoretical work has established the presence of hidden spin and orbital textures in nonmagnetic materials with inversion symmetry. Here, we propose that these textures can be detected by nuclear magnetic resonance (NMR) measurements carried out in the presence of an electric field. In crystals with hidden polarizations, a uniform electric field produces a staggered magnetic field that points to opposite directions at atomic sites related by spatial inversion. As a result, the NMR resonance peak corresponding to inversion partner nuclei is split into two peaks. The magnitude of the splitting is proportional to the electric field and depends on the orientation of the electric field with respect to the crystallographic axes and the external magnetic field. As a case study, we present a theory of electric-field-induced splitting of NMR peaks for 77Se,125Te, and 209Bi in Bi2Se3 and Bi2Te3 . In conducting samples with current densities of ≃106A/cm 2 , the splitting for Bi can reach 100 kHz , which is comparable to or larger than the intrinsic width of the NMR lines. In order to observe the effect experimentally, the peak splitting must also exceed the linewidth produced by the Oersted field. In Bi2Se3 , this requires narrow wires of radius ≲1 μ m . We also discuss other potentially more promising candidate materials, such as SrRuO3 and BaIr2Ge2 , whose crystal symmetry enables strategies to suppress the linewidth produced by the Oersted field.

Magnetic field induced mixing of light hole excitonic states in (Cd, Mn)Te/(Cd, Mg)Te core/shell nanowires

NASA Astrophysics Data System (ADS)

Płachta, Jakub; Grodzicka, Emma; Kaleta, Anna; Kret, Sławomir; Baczewski, Lech T.; Pietruczik, Aleksiej; Wiater, Maciej; Goryca, Mateusz; Kazimierczuk, Tomasz; Kossacki, Piotr; Karczewski, Grzegorz; Wojtowicz, Tomasz; Wojnar, Piotr

2018-05-01

A detailed magneto-photoluminescence study of individual (Cd, Mn)Te/(Cd, Mg)Te core/shell nanowires grown by molecular beam epitaxy is performed. First of all, an enhancement of the Zeeman splitting due to sp-d exchange interaction between band carriers and Mn-spins is evidenced in these nanostructures. Then, it is found that the value of this splitting depends strongly on the magnetic field direction with respect to the nanowire axis. The largest splitting is observed when the magnetic field is applied perpendicular and the smallest when it is applied parallel to the nanowire axis. This effect is explained in terms of magnetic field induced valence band mixing and evidences the light hole character of the excitonic emission. The values of the light and heavy hole splitting are determined for several individual nanowires based on the comparison of experimental results to theoretical calculations.

Magnetic field induced mixing of light hole excitonic states in (Cd, Mn)Te/(Cd, Mg)Te core/shell nanowires.

PubMed

Płachta, Jakub; Grodzicka, Emma; Kaleta, Anna; Kret, Sławomir; Baczewski, Lech T; Pietruczik, Aleksiej; Wiater, Maciej; Goryca, Mateusz; Kazimierczuk, Tomasz; Kossacki, Piotr; Karczewski, Grzegorz; Wojtowicz, Tomasz; Wojnar, Piotr

2018-05-18

A detailed magneto-photoluminescence study of individual (Cd, Mn)Te/(Cd, Mg)Te core/shell nanowires grown by molecular beam epitaxy is performed. First of all, an enhancement of the Zeeman splitting due to sp-d exchange interaction between band carriers and Mn-spins is evidenced in these nanostructures. Then, it is found that the value of this splitting depends strongly on the magnetic field direction with respect to the nanowire axis. The largest splitting is observed when the magnetic field is applied perpendicular and the smallest when it is applied parallel to the nanowire axis. This effect is explained in terms of magnetic field induced valence band mixing and evidences the light hole character of the excitonic emission. The values of the light and heavy hole splitting are determined for several individual nanowires based on the comparison of experimental results to theoretical calculations.

The Efficiency of Split Panel Designs in an Analysis of Variance Model

PubMed Central

Wang, Wei-Guo; Liu, Hai-Jun

2016-01-01

We consider split panel design efficiency in analysis of variance models, that is, the determination of the cross-sections series optimal proportion in all samples, to minimize parametric best linear unbiased estimators of linear combination variances. An orthogonal matrix is constructed to obtain manageable expression of variances. On this basis, we derive a theorem for analyzing split panel design efficiency irrespective of interest and budget parameters. Additionally, relative estimator efficiency based on the split panel to an estimator based on a pure panel or a pure cross-section is present. The analysis shows that the gains from split panel can be quite substantial. We further consider the efficiency of split panel design, given a budget, and transform it to a constrained nonlinear integer programming. Specifically, an efficient algorithm is designed to solve the constrained nonlinear integer programming. Moreover, we combine one at time designs and factorial designs to illustrate the algorithm’s efficiency with an empirical example concerning monthly consumer expenditure on food in 1985, in the Netherlands, and the efficient ranges of the algorithm parameters are given to ensure a good solution. PMID:27163447

Landau level splitting in Cd3As2 under high magnetic fields

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Cao, Junzhi; Liang, Sihang; Xia, Zhengcai; Li, Liang; Xiu, Faxian

2015-03-01

Three-dimensional (3D) topological Dirac semimetals (TDSs) are a new kind of Dirac materials that adopt nontrivial topology in band structure and possess degenerated massless Dirac fermions in the bulk. It has been proposed that TDSs can be driven to other exotic phases like Weyl semimetals, topological insulators and topological superconductors by breaking certain symmetries. Here we report the first transport evidence of Landau level splitting in TDS Cd3As2 single crystals under high magnetic fields, suggesting the removal of spin degeneracy by breaking time reversal symmetry (TRS). The observed Landau level splitting is originated from the joint contributions of orbit and Zeeman splitting in Cd3As2. In addition, the detected Berry phase is found to vary from nontrivial to trivial at different field directions, revealing a fierce competition between the orbit-coupled field strength and the field-generated mass term. Our results demonstrate a feasible path to generate a Weyl semimetal phase based on the TDSs by breaking TRS.

Rashba Interaction and Local Magnetic Moments in a Graphene-BN Heterostructure Intercalated with Au

NASA Astrophysics Data System (ADS)

O'Farrell, E. C. T.; Tan, J. Y.; Yeo, Y.; Koon, G. K. W.; Ã-zyilmaz, B.; Watanabe, K.; Taniguchi, T.

2016-08-01

We intercalate a van der Waals heterostructure of graphene and hexagonal boron nitride with Au, by encapsulation, and show that the Au at the interface is two dimensional. Charge transfer upon current annealing indicates the redistribution of the Au and induces splitting of the graphene band structure. The effect of an in-plane magnetic field confirms that the splitting is due to spin splitting and that the spin polarization is in the plane, characteristic of a Rashba interaction with a magnitude of approximately 25 meV. Consistent with the presence of an intrinsic interfacial electric field we show that the splitting can be enhanced by an applied displacement field in dual gated samples. A giant negative magnetoresistance, up to 75%, and a field induced anomalous Hall effect at magnetic fields <1 T are observed. These demonstrate that the hybridized Au has a magnetic moment and suggests the proximity to the formation of a collective magnetic phase. These effects persist close to room temperature.

Quantitative analysis of dinuclear manganese(II) EPR spectra

NASA Astrophysics Data System (ADS)

Golombek, Adina P.; Hendrich, Michael P.

2003-11-01

A quantitative method for the analysis of EPR spectra from dinuclear Mn(II) complexes is presented. The complex [(Me 3TACN) 2Mn(II) 2(μ-OAc) 3]BPh 4 ( 1) (Me 3TACN= N, N', N''-trimethyl-1,4,7-triazacyclononane; OAc=acetate 1-; BPh 4=tetraphenylborate 1-) was studied with EPR spectroscopy at X- and Q-band frequencies, for both perpendicular and parallel polarizations of the microwave field, and with variable temperature (2-50 K). Complex 1 is an antiferromagnetically coupled dimer which shows signals from all excited spin manifolds, S=1 to 5. The spectra were simulated with diagonalization of the full spin Hamiltonian which includes the Zeeman and zero-field splittings of the individual manganese sites within the dimer, the exchange and dipolar coupling between the two manganese sites of the dimer, and the nuclear hyperfine coupling for each manganese ion. All possible transitions for all spin manifolds were simulated, with the intensities determined from the calculated probability of each transition. In addition, the non-uniform broadening of all resonances was quantitatively predicted using a lineshape model based on D- and r-strain. As the temperature is increased from 2 K, an 11-line hyperfine pattern characteristic of dinuclear Mn(II) is first observed from the S=3 manifold. D- and r-strain are the dominate broadening effects that determine where the hyperfine pattern will be resolved. A single unique parameter set was found to simulate all spectra arising for all temperatures, microwave frequencies, and microwave modes. The simulations are quantitative, allowing for the first time the determination of species concentrations directly from EPR spectra. Thus, this work describes the first method for the quantitative characterization of EPR spectra of dinuclear manganese centers in model complexes and proteins. The exchange coupling parameter J for complex 1 was determined ( J=-1.5±0.3 cm-1; H ex=-2J S1· S2) and found to be in agreement with a previous determination from magnetization. The phenomenon of exchange striction was found to be insignificant for 1.

Abundant stable gauge field hair for black holes in anti-de Sitter space.

PubMed

Baxter, J E; Helbling, Marc; Winstanley, Elizabeth

2008-01-11

We present new hairy black hole solutions of SU(N) Einstein-Yang-Mills (EYM) theory in asymptotically anti-de Sitter (AdS) space. These black holes are described by N+1 independent parameters and have N-1 independent gauge field degrees of freedom. Solutions in which all gauge field functions have no zeros exist for all N, and for a sufficiently large (and negative) cosmological constant. At least some of these solutions are shown to be stable under classical, linear, spherically symmetric perturbations. Therefore there is no upper bound on the amount of stable gauge field hair with which a black hole in AdS can be endowed.

Induced unconventional superconductivity on the surface states of Bi2Te3 topological insulator.

PubMed

Charpentier, Sophie; Galletti, Luca; Kunakova, Gunta; Arpaia, Riccardo; Song, Yuxin; Baghdadi, Reza; Wang, Shu Min; Kalaboukhov, Alexei; Olsson, Eva; Tafuri, Francesco; Golubev, Dmitry; Linder, Jacob; Bauch, Thilo; Lombardi, Floriana

2017-12-08

Topological superconductivity is central to a variety of novel phenomena involving the interplay between topologically ordered phases and broken-symmetry states. The key ingredient is an unconventional order parameter, with an orbital component containing a chiral p x  + ip y wave term. Here we present phase-sensitive measurements, based on the quantum interference in nanoscale Josephson junctions, realized by using Bi 2 Te 3 topological insulator. We demonstrate that the induced superconductivity is unconventional and consistent with a sign-changing order parameter, such as a chiral p x  + ip y component. The magnetic field pattern of the junctions shows a dip at zero externally applied magnetic field, which is an incontrovertible signature of the simultaneous existence of 0 and π coupling within the junction, inherent to a non trivial order parameter phase. The nano-textured morphology of the Bi 2 Te 3 flakes, and the dramatic role played by thermal strain are the surprising key factors for the display of an unconventional induced order parameter.

Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Blanchard, J. W.; Sjolander, T. F.; King, J. P.; Ledbetter, M. P.; Levine, E. H.; Bajaj, V. S.; Budker, D.; Pines, A.

2015-12-01

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from the effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the coupling averages to zero under isotropic molecular tumbling. Under partial alignment, this information is retained in the form of so-called residual dipolar couplings. We report zero- to ultralow-field NMR measurements of residual dipolar couplings in acetonitrile-2-13C aligned in stretched polyvinyl acetate gels. This permits the investigation of dipolar couplings as a perturbation on the indirect spin-spin J coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole coupling Hamiltonian that are invisible in conventional high-field NMR. This technique expands the capabilities of zero- to ultralow-field NMR and has potential applications in precision measurement of subtle physical interactions, chemical analysis, and characterization of local mesoscale structure in materials.

Crustal Fracturing Field and Presence of Fluid as Revealed by Seismic Anisotropy

NASA Astrophysics Data System (ADS)

Pastori, M.; Piccinini, D.; de Gori, P.; Margheriti, L.; Barchi, M. R.; di Bucci, D.

2010-12-01

In the last three years, we developed, tested and improved an automatic analysis code (Anisomat+) to calculate the shear wave splitting parameters, fast polarization direction (φ) and delay time (∂t). The code is a set of MatLab scripts able to retrieve crustal anisotropy parameters from three-component seismic recording of local earthquakes using horizontal component cross-correlation method. The analysis procedure consists in choosing an appropriate frequency range, that better highlights the signal containing the shear waves, and a length of time window on the seismogram centered on the S arrival (the temporal window contains at least one cycle of S wave). The code was compared to other two automatic analysis code (SPY and SHEBA) and tested on three Italian areas (Val d’Agri, Tiber Valley and L’Aquila surrounding) along the Apennine mountains. For each region we used the anisotropic parameters resulting from the automatic computation as a tool to determine the fracture field geometries connected with the active stress field. We compare the temporal variations of anisotropic parameters to the evolution of vp/vs ratio for the same seismicity. The anisotropic fast directions are used to define the active stress field (EDA model), finding a general consistence between fast direction and main stress indicators (focal mechanism and borehole break-out). The magnitude of delay time is used to define the fracture field intensity finding higher value in the volume where micro-seismicity occurs. Furthermore we studied temporal variations of anisotropic parameters and vp/vs ratio in order to explain if fluids play an important role in the earthquake generation process. The close association of anisotropic and vp/vs parameters variations and seismicity rate changes supports the hypothesis that the background seismicity is influenced by the fluctuation of pore fluid pressure in the rocks.

Thermal corrections to the Casimir energy in a general weak gravitational field

NASA Astrophysics Data System (ADS)

Nazari, Borzoo

2016-12-01

We calculate finite temperature corrections to the energy of the Casimir effect of a two conducting parallel plates in a general weak gravitational field. After solving the Klein-Gordon equation inside the apparatus, mode frequencies inside the apparatus are obtained in terms of the parameters of the weak background. Using Matsubara’s approach to quantum statistical mechanics gravity-induced thermal corrections of the energy density are obtained. Well-known weak static and stationary gravitational fields are analyzed and it is found that in the low temperature limit the energy of the system increases compared to that in the zero temperature case.

Improvement of calculation method for electrical parameters of short network of ore-thermal furnaces

NASA Astrophysics Data System (ADS)

Aliferov, A. I.; Bikeev, R. A.; Goreva, L. P.

2017-10-01

The paper describes a new calculation method for active and inductive resistance of split interleaved current leads packages in ore-thermal electric furnaces. The method is developed on basis of regression analysis of dependencies of active and inductive resistances of the packages on their geometrical parameters, mutual disposition and interleaving pattern. These multi-parametric calculations have been performed with ANSYS software. The proposed method allows solving split current lead electrical parameters minimization and balancing problems for ore-thermal furnaces.

Realizing InGaN monolithic solar-photoelectrochemical cells for artificial photosynthesis

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

Dahal, R.; Pantha, B. N.; Li, J.

2014-04-07

InGaN alloys are very promising for solar water splitting because they have direct bandgaps that cover almost the whole solar spectrum. The demonstration of direct solar-to-fuel conversion without external bias with the sunlight being the only energy input would pave the way for realizing photoelectrochemical (PEC) production of hydrogen by using InGaN. A monolithic solar-PEC cell based on InGaN/GaN multiple quantum wells capable to directly generate hydrogen gas under zero bias via solar water splitting is reported. Under the irradiation by a simulated sunlight (1-sun with 100 mW/cm{sup 2}), a 1.5% solar-to-fuel conversion efficiency has been achieved under zero bias,more » setting a fresh benchmark of employing III-nitrides for artificial photosynthesis. Time dependent hydrogen gas production photocurrent measured over a prolonged period (measured for 7 days) revealed an excellent chemical stability of InGaN in aqueous solution of hydrobromic acid. The results provide insights into the architecture design of using InGaN for artificial photosynthesis to provide usable clean fuel (hydrogen gas) with the sunlight being the only energy input.« less

Microwave resonant and zero-field absorption study of doped magnetite prepared by a co-precipitation method.

PubMed

Aphesteguy, Juan Carlos; Jacobo, Silvia E; Lezama, Luis; Kurlyandskaya, Galina V; Schegoleva, Nina N

2014-06-19

Fe3O4 and ZnxFe3-xO4 pure and doped magnetite magnetic nanoparticles (NPs) were prepared in aqueous solution (Series A) or in a water-ethyl alcohol mixture (Series B) by the co-precipitation method. Only one ferromagnetic resonance line was observed in all cases under consideration indicating that the materials are magnetically uniform. The shortfall in the resonance fields from 3.27 kOe (for the frequency of 9.5 GHz) expected for spheres can be understood taking into account the dipolar forces, magnetoelasticity, or magnetocrystalline anisotropy. All samples show non-zero low field absorption. For Series A samples the grain size decreases with an increase of the Zn content. In this case zero field absorption does not correlate with the changes of the grain size. For Series B samples the grain size and zero field absorption behavior correlate with each other. The highest zero-field absorption corresponded to 0.2 zinc concentration in both A and B series. High zero-field absorption of Fe3O4 ferrite magnetic NPs can be interesting for biomedical applications.

The influence of further-neighbor spin-spin interaction on a ground state of 2D coupled spin-electron model in a magnetic field

NASA Astrophysics Data System (ADS)

Čenčariková, Hana; Strečka, Jozef; Gendiar, Andrej; Tomašovičová, Natália

2018-05-01

An exhaustive ground-state analysis of extended two-dimensional (2D) correlated spin-electron model consisting of the Ising spins localized on nodal lattice sites and mobile electrons delocalized over pairs of decorating sites is performed within the framework of rigorous analytical calculations. The investigated model, defined on an arbitrary 2D doubly decorated lattice, takes into account the kinetic energy of mobile electrons, the nearest-neighbor Ising coupling between the localized spins and mobile electrons, the further-neighbor Ising coupling between the localized spins and the Zeeman energy. The ground-state phase diagrams are examined for a wide range of model parameters for both ferromagnetic as well as antiferromagnetic interaction between the nodal Ising spins and non-zero value of external magnetic field. It is found that non-zero values of further-neighbor interaction leads to a formation of new quantum states as a consequence of competition between all considered interaction terms. Moreover, the new quantum states are accompanied with different magnetic features and thus, several kinds of field-driven phase transitions are observed.

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

NASA Astrophysics Data System (ADS)

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V.; Ilyushin, V. V.; Alekseev, E. A.; Mescheryakov, A. A.; Hougen, J. T.; Xu, Li-Hong

2016-07-01

This paper presents an explanation based on torsionally mediated proton-spin-overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = - 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e., to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric "torsionally mediated spin-rotation operators" by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e±niα. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A1 and A2 states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

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

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V.

2016-07-14

This paper presents an explanation based on torsionally mediated proton-spin–overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = − 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e.,more » to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric “torsionally mediated spin-rotation operators” by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e{sup ±niα}. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A{sub 1} and A{sub 2} states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.« less

Quantitative analysis on electric dipole energy in Rashba band splitting.

PubMed

Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

2015-09-01

We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime.

Quantitative analysis on electric dipole energy in Rashba band splitting

PubMed Central

Hong, Jisook; Rhim, Jun-Won; Kim, Changyoung; Ryong Park, Seung; Hoon Shim, Ji

2015-01-01

We report on quantitative comparison between the electric dipole energy and the Rashba band splitting in model systems of Bi and Sb triangular monolayers under a perpendicular electric field. We used both first-principles and tight binding calculations on p-orbitals with spin-orbit coupling. First-principles calculation shows Rashba band splitting in both systems. It also shows asymmetric charge distributions in the Rashba split bands which are induced by the orbital angular momentum. We calculated the electric dipole energies from coupling of the asymmetric charge distribution and external electric field, and compared it to the Rashba splitting. Remarkably, the total split energy is found to come mostly from the difference in the electric dipole energy for both Bi and Sb systems. A perturbative approach for long wave length limit starting from tight binding calculation also supports that the Rashba band splitting originates mostly from the electric dipole energy difference in the strong atomic spin-orbit coupling regime. PMID:26323493

Ab Initio Crystal Field for Lanthanides.

PubMed

Ungur, Liviu; Chibotaru, Liviu F

2017-03-13

An ab initio methodology for the first-principle derivation of crystal-field (CF) parameters for lanthanides is described. The methodology is applied to the analysis of CF parameters in [Tb(Pc) 2 ] - (Pc=phthalocyanine) and Dy 4 K 2 ([Dy 4 K 2 O(OtBu) 12 ]) complexes, and compared with often used approximate and model descriptions. It is found that the application of geometry symmetrization, and the use of electrostatic point-charge and phenomenological CF models, lead to unacceptably large deviations from predictions based on ab initio calculations for experimental geometry. It is shown how the predictions of standard CASSCF (Complete Active Space Self-Consistent Field) calculations (with 4f orbitals in the active space) can be systematically improved by including effects of dynamical electronic correlation (CASPT2 step) and by admixing electronic configurations of the 5d shell. This is exemplified for the well-studied Er-trensal complex (H 3 trensal=2,2',2"-tris(salicylideneimido)trimethylamine). The electrostatic contributions to CF parameters in this complex, calculated with true charge distributions in the ligands, yield less than half of the total CF splitting, thus pointing to the dominant role of covalent effects. This analysis allows the conclusion that ab initio crystal field is an essential tool for the decent description of lanthanides. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Active and passive controls of Jeffrey nanofluid flow over a nonlinear stretching surface

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Aziz, Arsalan; Muhammad, Taseer; Alsaedi, Ahmed

This communication explores magnetohydrodynamic (MHD) boundary-layer flow of Jeffrey nanofluid over a nonlinear stretching surface with active and passive controls of nanoparticles. A nonlinear stretching surface generates the flow. Effects of thermophoresis and Brownian diffusion are considered. Jeffrey fluid is electrically conducted subject to non-uniform magnetic field. Low magnetic Reynolds number and boundary-layer approximations have been considered in mathematical modelling. The phenomena of impulsing the particles away from the surface in combination with non-zero mass flux condition is known as the condition of zero mass flux. Convergent series solutions for the nonlinear governing system are established through optimal homotopy analysis method (OHAM). Graphs have been sketched in order to analyze that how the temperature and concentration distributions are affected by distinct physical flow parameters. Skin friction coefficient and local Nusselt and Sherwood numbers are also computed and analyzed. Our findings show that the temperature and concentration distributions are increasing functions of Hartman number and thermophoresis parameter.

Doubly unusual 3D lattice honeycomb displaying simultaneous negative and zero Poisson’s ratio properties

NASA Astrophysics Data System (ADS)

Chen, Yu; Zheng, Bin-Bin; Fu, Ming-Hui; Lan, Lin-Hua; Zhang, Wen-Zhi

2018-04-01

In this paper, a novel three-dimensional (3D) lattice honeycomb is developed based on a two-dimensional (2D) accordion-like honeycomb. A combination of theoretical and numerical analysis is carried out to gain a deeper understanding of the elastic behavior of the new honeycomb and its dependence on the geometric parameters. The results show that the proposed new honeycomb can simultaneously achieve an in-plane negative Poisson’s ratio (NPR) effect and an out-of-plane zero Poisson’s ratio (ZPR) effect. This unique property may be very promising in some important fields, like aerospace, piezoelectric sensors and biomedicine engineering. The results also show that the geometric parameters, such as the slant angle, the strut thickness and the relative density, have a significant effect on the mechanical properties. Additionally, different dominant deformation models of the new honeycomb when compressed along the x (or y) and z directions are identified. This work provides a new concept for the design of honeycombs with a doubly unusual performance.

Classical dimer model with anisotropic interactions on the square lattice

NASA Astrophysics Data System (ADS)

Otsuka, Hiromi

2009-07-01

We discuss phase transitions and the phase diagram of a classical dimer model with anisotropic interactions defined on a square lattice. For the attractive region, the perturbation of the orientational order parameter introduced by the anisotropy causes the Berezinskii-Kosterlitz-Thouless transitions from a dimer-liquid to columnar phases. According to the discussion by Nomura and Okamoto for a quantum-spin chain system [J. Phys. A 27, 5773 (1994)], we proffer criteria to determine transition points and also universal level-splitting conditions. Subsequently, we perform numerical diagonalization calculations of the nonsymmetric real transfer matrices up to linear dimension specified by L=20 and determine the global phase diagram. For the repulsive region, we find the boundary between the dimer-liquid and the strong repulsion phases. Based on the dispersion relation of the one-string motion, which exhibits a twofold “zero-energy flat band” in the strong repulsion limit, we give an intuitive account for the property of the strong repulsion phase.

Noise and Sonic Boom Impact Technology. Initial Development of an Assessment System for Aircraft Noise (ASAN). Volume 3. Technical Description

DTIC Science & Technology

1989-06-01

field width, it will be padded on the left (or right, if the left adjustment indicator has been given) to make up the field width. The padding character...is blank (space) normally, and zero if the field width was specified with a leading zero (this zero does not imply an octal field width). 25 " a...unsigned octal notation (without a leading zero ). ’x The argument is coverted to unsigned hexadecimal notation (without a leading Ox). * u The argument is

Rashba effect in an asymmetric quantum dot in a magnetic field

NASA Astrophysics Data System (ADS)

Bandyopadhyay, S.; Cahay, M.

2002-12-01

We derive an expression for the total spin-splitting energy in an asymmetric quantum dot with ferromagnetic contacts, subjected to a transverse electric field. Such a structure has been shown by one of us to act as a spintronic quantum gate with in-built qubit readers and writers (Phys. Rev. B61, 13813 (2000)). The ferromagnetic contacts result in a magnetic field that causes a Zeeman splitting of the electronic states in the quantum dot. We show that this Zeeman splitting can be finely tuned with a transverse electric field as a result of nonvanishing Rashba spin-orbit coupling in an asymmetric quantum dot. This feature is critical for implementing a quantum gate.

Gravity-oriented satellite dynamics subject to gravitational and active damping torques

NASA Astrophysics Data System (ADS)

Sarychev, V. A.; Gutnik, S. A.

2018-01-01

The dynamics of the rotational motion of a satellite moving in the central Newtonian field of force over a circular orbit under the effect of gravitational and active damping torques, which depend on the satellite angular velocity projections, has been investigated. The paper proposes a method of determining all equilibrium positions (equilibrium orientations) of a satellite in the orbital coordinate system for specified values of damping coefficients and principal central moments of inertia. The conditions of their existence have been obtained. For a zero equilibrium position where the axes of the satellite-centered coordinate system coincide with the axes of the orbital coordinate system, the necessary and sufficient conditions for asymptotic stability are obtained using the Routh-Hurwitz criterion. A detailed analysis of the regions where the conditions of the asymptotic stability of a zero equilibrium position are fulfilled have been obtained depending on three dimensionless parameters of the problem, and the numerical study of the process of attenuation of satellite's spatial oscillations for various damping coefficients has been carried out. It has been shown that there is a wide range of damping parameters from which, by choosing the necessary values, one can provide the asymptotic stability of satellite's zero equilibrium position in the orbital coordinate system.

Enhanced Kerr nonlinearity in a quantized four-level graphene nanostructure

NASA Astrophysics Data System (ADS)

Ghahraman, Solookinejad; M, Panahi; E, Ahmadi; Seyyed, Hossein Asadpour

2016-07-01

In this paper, a new model is proposed for manipulating the Kerr nonlinearity of right-hand circular probe light in a monolayer of graphene nanostructure. By using the density matrix equations and quantum optical approach, the third-order susceptibility of probe light is explored numerically. It is realized that the enhanced Kerr nonlinearity with zero linear absorption can be provided by selecting the appropriate quantities of controllable parameters, such as Rabi frequency and elliptical parameter of elliptical polarized coupling field. Our results may be useful applications in future all-optical system devices in nanostructures.

The Effects of Sampling Probe Design and Sampling Techniques on Aerosol Measurements

DTIC Science & Technology

1975-05-01

Schematic of Extraction and Sampling System 39 16. Filter Housing 40 17. Theoretical Isokinetic Flow Requirements of the EPA Sampling...from the flow parameters based on a zero-error assumption at isokinetic sampling conditions. Isokinetic , or equal velocity sampling, was...prior to testing the probes. It was also used to measure the flow field adjacent to the probe inlets to determine the isokinetic condition of the

Splitting in large dimension and infrared estimates. II. Moment inequalities

NASA Astrophysics Data System (ADS)

Helffer, B.

1998-02-01

This is the continuation of notes written for the NATO-ASI conference in Il Ciocco (September 96) consisting of the analysis of the links between estimating the splitting between the two first eigenvalues for the Schrödinger operator H and the proof of infrared estimates for quantities attached to Gaussian-type measures. These notes were mainly reporting on the "old" contributions of Dyson, Fröhlich, Glimm, Jaffe, Lieb, Simon, and Spencer (in the 1970s) in connection with more recent contributions of Pastur, Khoruzhenko, Barbulyak, and Kondrat'ev which treat in general more sophisticated models. Here we concentrate on the simplest model related to field theory and extend the results of Barbulyak and Kondrat'ev by mixing ideas coming from Pastur and Khozurenko related to the use of Bogolyubov's inequality with classical inequalities due to Ginibre, Lebowitz, Sokal, and others, or, in the case when the temperature T is zero, by applying rather elementary estimates on Schrödinger operators, in order to find lower bounds for second-order moments attached to the measure φ⟼Trφ exp-βH/Tr exp-βH with β=1/T. This question was "left to the reader" in lectures given by J. Fröhlich in 1976 [Acta Phys. Austriaca, Suppl. XV, 133-269 (1976)], but we think that it is worthwhile to do this "homework" carefully.

Analytical solution for static and dynamic analysis of magnetically affected viscoelastic orthotropic double-layered graphene sheets resting on viscoelastic foundation

NASA Astrophysics Data System (ADS)

Jalaei, M. H.; Arani, A. Ghorbanpour

2018-02-01

By considering the small scale effect based on the nonlocal Eringen's theory, the static and dynamic analysis of viscoelastic orthotropic double-layered graphene sheets subjected to longitudinal magnetic field and mechanical load is investigated analytically. For this objective, first order shear deformation theory (FSDT) is proposed. The surrounding medium is simulated by visco-Pasternak foundation model in which damping, normal and transverse shear loads are taken into account. The governing equations of motion are obtained via energy method and Hamilton's principle which are then solved analytically by means of Navier's approach and Laplace inversion technique in the space and time domains, respectively. Through various parametric studies, the influences of the nonlocal parameter, structural damping, van der Waals (vdW) interaction, stiffness and damping coefficient of the foundation, magnetic parameter, aspect ratio and length to thickness ratio on the static and dynamic response of the nanoplates are examined. The results depict that when the vdW interaction is considered to be zero, the upper layer deflection reaches a maximum point whereas the lower layer deflection becomes zero. In addition, it is observed that with growing the vdW interaction, the effect of magnetic field on the deflection of the lower layer increases while this effect reduces for the upper layer deflection.

p -wave superconductivity in weakly repulsive 2D Hubbard model with Zeeman splitting and weak Rashba spin-orbit coupling

NASA Astrophysics Data System (ADS)

Hugdal, Henning G.; Sudbø, Asle

2018-01-01

We study the superconducting order in a two-dimensional square lattice Hubbard model with weak repulsive interactions, subject to a Zeeman field and weak Rashba spin-orbit interactions. Diagonalizing the noninteracting Hamiltonian leads to two separate bands, and by deriving an effective low-energy interaction we find the mean field gap equations for the superconducting order parameter on the bands. Solving the gap equations just below the critical temperature, we find that superconductivity is caused by Kohn-Luttinger-type interaction, while the pairing symmetry of the bands is indirectly affected by the spin-orbit coupling. The dominating attractive momentum channel of the Kohn-Luttinger term depends on the filling fraction n of the system, and it is therefore possible to change the momentum dependence of the order parameter by tuning n . Moreover, n also determines which band has the highest critical temperature. Rotating the magnetic field changes the momentum dependence from states that for small momenta reduce to a chiral px±i py type state for out-of-plane fields, to a nodal p -wave-type state for purely in-plane fields.

Design and calibration of zero-additional-phase SPIDER

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

Baum, Peter; Riedle, Eberhard

2005-09-01

Zero-additional-phase spectral phase interferometry for direct electric field reconstruction (ZAP-SPIDER) is a novel technique for measuring the temporal shape and phase of ultrashort optical pulses directly at the interaction point of a spectroscopic experiment. The scheme is suitable for an extremely wide wavelength region from the ultraviolet to the near infrared. We present a comprehensive description of the experimental setup and design guidelines to effectively apply the technique to various wavelengths and pulse durations. The calibration of the setup and procedures to check the consistency of the measurement are discussed in detail. We show experimental data for various center wavelengthsmore » and pulse durations down to 7 fs to verify the applicability to a wide range of pulse parameters.« less

Shear Wave Splitting Underneath Northwest Canada and Eastern Alaska from Transportable Array and Mackenzie Mountains Data

NASA Astrophysics Data System (ADS)

Schutt, D.; Witt, D. R.; Aster, R. C.; Freymueller, J.; Cubley, J. F.

2017-12-01

Shear wave splitting results from the Northern Cordillera and surroundings will be presented. This complex tectonic setting contains a subduction zone responding to the Yakutat Indenter, an oceanic plateau fragment, a slab window under the Yukon Territory, and the actively uplifting Mackenzie Mountains. A particular goal of this project is to understand whether asthenospheric tractions play a significant role in Mackenzie Mountain uplift. Using a new method for calculating station-averaged splitting parameters, we have analyzed stations that span a large part of the region and therefore can see the variation in splitting parameters from the dynamic NA-PA subduction zone to the stable Slave Craton. Like other shear wave splitting studies in the Northern Cordillera, we find abrupt changes in fast axis direction along the continental margin, while the continental interior displays more coherent splitting parameters. This study is also the first to look at data from a recent deployment through center of the Mackenzie Mountains. Northeast of the Tintina Fault, we find average fast axes directions that are very close to the absolute NA plate motion but our large deviations from event to event suggest that there is some crustal anisotropy and/or dipping structure present. This observation appears to support the idea of a lower crustal décollement that has been put forth by Mazzoti and Hyndman [2002]. These results serve as a broad regional overview of mantle anisotropy and may also shed light on frozen lithospheric deformation.

Splitting of turbulent spot in transitional pipe flow

NASA Astrophysics Data System (ADS)

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.

2017-11-01

Recent study (Wu et al., PNAS, 1509451112, 2015) demonstrated the feasibility and accuracy of direct computation of the Osborne Reynolds' pipe transition problem without the unphysical, axially periodic boundary condition. Here we use this approach to study the splitting of turbulent spot in transitional pipe flow, a feature first discovered by E.R. Lindgren (Arkiv Fysik 15, 1959). It has been widely believed that spot splitting is a mysterious stochastic process that has general implications on the lifetime and sustainability of wall turbulence. We address the following two questions: (1) What is the dynamics of turbulent spot splitting in pipe transition? Specifically, we look into any possible connection between the instantaneous strain rate field and the spot splitting. (2) How does the passive scalar field behave during the process of pipe spot splitting. In this study, the turbulent spot is introduced at the inlet plane through a sixty degree wide numerical wedge within which fully-developed turbulent profiles are assigned over a short time interval; and the simulation Reynolds numbers are 2400 for a 500 radii long pipe, and 2300 for a 1000 radii long pipe, respectively. Numerical dye is tagged on the imposed turbulent spot at the inlet. Splitting of the imposed turbulent spot is detected very easily. Preliminary analysis of the DNS results seems to suggest that turbulent spot slitting can be easily understood based on instantaneous strain rate field, and such spot splitting may not be relevant in external flows such as the flat-plate boundary layer.

Diffraction inspired unidirectional and bidirectional beam splitting in defect-containing photonic structures without interface corrugations

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

Colak, Evrim; Serebryannikov, Andriy E., E-mail: andser@amu.edu.pl; Usik, P. V.

2016-05-21

It is shown that strong diffractions and related dual-beam splitting can be obtained at transmission through the nonsymmetric structures that represent two slabs of photonic crystal (PhC) separated by a single coupled-cavity type defect layer, while there are no grating-like corrugations at the interfaces. The basic operation regimes include unidirectional and bidirectional splitting that occur due to the dominant contribution of the first positive and first negative diffraction orders to the transmission, which is typically connected with different manifestations of the asymmetric transmission phenomenon. Being the main component of the resulting transmission mechanism, diffractions appear owing to the effect exertedmore » by the defect layer that works like an embedded diffractive element. Two mechanisms can co-exist in one structure, which differ, among others, in that whether dispersion allows coupling of zero order to a wave propagating in the regular, i.e., defect-free PhC segments or not. The possibility of strong diffractions and efficient splitting related to it strongly depend on the dispersion properties of the Floquet-Bloch modes of the PhC. Existence of one of the studied transmission scenarios is not affected by location of the defect layer.« less

Potential-splitting approach applied to the Temkin-Poet model for electron scattering off the hydrogen atom and the helium ion

NASA Astrophysics Data System (ADS)

Yarevsky, E.; Yakovlev, S. L.; Larson, Å; Elander, N.

2015-06-01

The study of scattering processes in few body systems is a difficult problem especially if long range interactions are involved. In order to solve such problems, we develop here a potential-splitting approach for three-body systems. This approach is based on splitting the reaction potential into a finite range core part and a long range tail part. The solution to the Schrödinger equation for the long range tail Hamiltonian is found analytically, and used as an incoming wave in the three body scattering problem. This reformulation of the scattering problem makes it suitable for treatment by the exterior complex scaling technique in the sense that the problem after the complex dilation is reduced to a boundary value problem with zero boundary conditions. We illustrate the method with calculations on the electron scattering off the hydrogen atom and the positive helium ion in the frame of the Temkin-Poet model.

Quasi-chemical theory of F-(aq): The "no split occupancies rule" revisited

NASA Astrophysics Data System (ADS)

Chaudhari, Mangesh I.; Rempe, Susan B.; Pratt, Lawrence R.

2017-10-01

We use ab initio molecular dynamics (AIMD) calculations and quasi-chemical theory (QCT) to study the inner-shell structure of F-(aq) and to evaluate that single-ion free energy under standard conditions. Following the "no split occupancies" rule, QCT calculations yield a free energy value of -101 kcal/mol under these conditions, in encouraging agreement with tabulated values (-111 kcal/mol). The AIMD calculations served only to guide the definition of an effective inner-shell constraint. QCT naturally includes quantum mechanical effects that can be concerning in more primitive calculations, including electronic polarizability and induction, electron density transfer, electron correlation, molecular/atomic cooperative interactions generally, molecular flexibility, and zero-point motion. No direct assessment of the contribution of dispersion contributions to the internal energies has been attempted here, however. We anticipate that other aqueous halide ions might be treated successfully with QCT, provided that the structure of the underlying statistical mechanical theory is absorbed, i.e., that the "no split occupancies" rule is recognized.

Splitting of the Low Landau Levels into a Set of Positive Lebesgue Measure under Small Periodic Perturbations

NASA Astrophysics Data System (ADS)

Dinaburg, E. I.; Sinai, Ya. G.; Soshnikov, A. B.

We study the spectral properties of a two-dimensional Schrödinger operator with a uniform magnetic field and a small external periodic field: where and , are small parameters. Representing as the direct integral of one-dimensional quasi-periodic difference operators with long-range potential and employing recent results of E.I.Dinaburg about Anderson localization for such operators (we assume to be typical irrational) we construct the full set of generalised eigenfunctions for the low Landau bands. We also show that the Lebesgue measure of the low bands is positive and proportional in the main order to .

Strike point splitting in the heat and particle flux profiles compared with the edge magnetic topology in a n = 2 resonant magnetic perturbation field at JET

NASA Astrophysics Data System (ADS)

Harting, D. M.; Liang, Y.; Jachmich, S.; Koslowski, R.; Arnoux, G.; Devaux, S.; Eich, T.; Nardon, E.; Reiter, D.; Thomsen, H.; EFDA contributors, JET

2012-05-01

At JET the error field correction coils can be used to generate an n = 1 or n = 2 magnetic perturbation field (Liang et al 2007 Plasma Phys. Control. Fusion 49 B581). Various experiments at JET have already been carried out to investigate the mitigation of ELMs by resonant magnetic perturbations (RMPs) (Liang et al 2010 Nucl. Fusion 50 025013, Liang et al 2011 Nucl. Fusion 51 073001). However, the typical formation of a secondary strike point (strike point splitting) by RMPs observed in other machines (Jakubowski et al 2010 Contrib. Plasma Phys. 50 701-7, Jakubowski et al 2004 Nucl. Fusion 44 S1-11, Nardon et al 2011 J. Nucl. Mater. 415 S914-7, Eich et al 2003 Phys. Rev. Lett. 91 195003, Evans et al 2007 J. Nucl. Mater. 363-365 570-4, Evans et al 2005 J. Phys.: Conf. Ser. 7 174-90, Watkins et al 2009 J. Nucl. Mater. 390-391 839-42) has never been observed at JET before. In this work we will present discharges where for the first time a strike point splitting by RMPs at JET has been observed. We will show that in these particular cases the strike point splitting matches the vacuum edge magnetic field topology. This is done by comparing heat and particle flux profiles on the outer divertor plate with the magnetic footprint pattern obtained by field line tracing. Further the evolution of the strike point splitting during the ramp up phase of the perturbation field and during a q95-scan is investigated, and it will be shown that the spontaneous appearance of the strike point splitting is only related to some geometrical effects of the toroidal asymmetric magnetic topology.

Temporal self-splitting of optical pulses

NASA Astrophysics Data System (ADS)

Ding, Chaoliang; Koivurova, Matias; Turunen, Jari; Pan, Liuzhan

2018-05-01

We present mathematical models for temporally and spectrally partially coherent pulse trains with Laguerre-Gaussian and Hermite-Gaussian Schell-model statistics as extensions of the standard Gaussian Schell model for pulse trains. We derive propagation formulas of both classes of pulsed fields in linearly dispersive media and in temporal optical systems. It is found that, in general, both types of fields exhibit time-domain self-splitting upon propagation. The Laguerre-Gaussian model leads to multiply peaked pulses, while the Hermite-Gaussian model leads to doubly peaked pulses, in the temporal far field (in dispersive media) or at the Fourier plane of a temporal system. In both model fields the character of the self-splitting phenomenon depends both on the degree of temporal and spectral coherence and on the power spectrum of the field.