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2015-05-01
The spin–orbit splitting and magnetism of a single 3 d , 4 d impurity (Sc–Zn, Y–Cd) encapsulated in an icosahedral Ag_12 cage (M@Ag_12) are explored by using methods based on density functional theory. The large spin–orbit splittings of HOMO levels can be found in the clusters with heavy impurities in each series, espe...
Spin–orbit Splitting and Magnetism of Icosahedral M@Ag_12 Clusters (M = 3d and 4d atoms)
null
2015-05-01
In this article, we have presented the approximate solution of the Dirac equation with multiparameter exponential-type potential in ( $${{\rm D}+1}$$ D + 1 ) dimensions within the framework of spin and pseudospin symmetries. We have used the supersymmetric quantum mechanics formalism to obtain the energy eigenvalues an...
Relativistic Symmetries of ( $${{\rm D}+1}$$ D + 1 ) Dime...
null
2015-05-01
We consider the direct photon production in a two hadron collision with one of the hadrons transversely polarized. By using the contour gauge for gluon fields, we find that there are new twist- $$3$$ 3 terms present in the hadron tensor of the considered process in addition to the standard twist- $$3$$ 3 terms. In this...
New contributions to gluon poles in direct photon production
null
2015-05-01
A giant photonic spin Hall effect (SHE) has been predicted and experimentally observed in a dielectric metamaterial by scientists in China. The conventional SHE that occurs when light is reflected or refracted at an interface is inherently weak due to the weak spin–orbit interaction. Now, researchers at Hunan Universit...
Giant photonic spin Hall effect in momentum space in a structured metamaterial with spatially varying birefringence
null
2015-05-01
We study the exponentiation of elements of the gauge Lie algebras hs(λ) of three-dimensional higher spin theories. Exponentiable elements generate one-parameter groups of finite higher spin symmetries. We show that elements of hs(λ) in a dense set are exponentiable, when pictured in certain representations of hs(λ), in...
Finite Higher Spin Transformations from Exponentiation
null
2015-04-01
We consider a spin-1/2 Bose-Einstein condensate with equal Rashba and Dresselhaus spin-orbit coupling. After reviewing some relevant features of the quantum phases of the system, we present a short study on how their properties are changed by the presence of non-zero magnetic detunings and spin-asymmetric interactions....
Visibility and stability of superstripes in a spin-orbit-coupled Bose-Einstein condensate
null
2015-04-01
The orientation of spins of charge carriers has been studied during the passage of an electric current through a quasi-one-dimensional system. It has been established that the effect disappears in a strictly one-dimensional case, while in the case of the occupation of a large number of subbands and the possibility of i...
Orientation of electron spins by the current in a quasi-one-dimensional system
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2015-03-07
We calculate the proton and neutron spin contributions for nuclei using semi-empirical methods, as well as a novel hybrid ab initio/semi-empirical method, for interpretation of experimental data. We demonstrate that core-polarisation corrections to ab initio nuclear shell model calculations generally reduce discrepanci...
Nuclear spin-dependent interactions: searches for WIMP, axion and topological defect dark matter, and tests of fundamental symmetries
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2015-03-01
In this research, we have been obtained the Dirac equation for second Pöschl–Teller-like potential including a Coulomb-like tensor interaction with arbitrary spin–orbit coupling quantum number κ . Under the condition of spin and pseudospin (p-spin) symmetries, we use the basic concept of the supersymmetric shape invari...
Tensor coupling and relativistic spin and pseudospin symmetries of the Pöschl–Teller-like potential
null
2015-03-01
In this paper, we study the Dirac equation with a multiparameter exponential-type potential including two tensor interactions. We obtain the energy eigenvalues by using the Nikiforov-Uvarov method. The corresponding wave functions are obtained and expressed in terms of hypergeometric functions. The effects of the Coulo...
Relativistic symmetries of a multiparameter exponential-type potential within Coulomb-like and Yukawa-like tensor interactions
null
2015-02-01
By means of polarization-resolved photoluminescence spectroscopy, the sign reversal of the z component of the g -factor of two-dimensional electrons in a GaAs/Al_0.33Ga_0.67As quantum well in a strong perpendicular magnetic field in the vicinity of the filling factor ν= 3 is observed as the well width is reduced. The e...
Detecting the sign reversal of the g-factor of two-dimensional electrons in narrow GaAs/Al_ x Ga_1 − x As quantum wells
null
2015-01-22
It is widely believed that the spin of black holes in X-ray binaries is mainly natal. A significant spin-up from accretion is not possible. If the secondary has a low mass, the black hole spin cannot change too much even if the black hole swallows the whole stellar companion. If the secondary has a high mass, its lifet...
Attempt to explain black hole spin in X-ray binaries by new physics
null
2015-01-01
This work addresses a method for constructing supersymmetric vector coherent states (VCS) for a two-dimensional electron gas in a perpendicular magnetic field in the presence of both Rashba and Dresselhaus spin-orbit (SO) interactions, with an effective Zeeman coupling. The model Hamiltonian, decomposed into two conven...
Supersymmetric Vector Coherent States for Systems with Zeeman Coupling and Spin-Orbit Interactions
null
2015-01-01
Structural and magnetic properties in a number of Van Vleck and Curie–Weiss paramagnetics A_3M_2X_9 compounds have been studied with DFT methods. The account of spin–orbit coupling is shown to provide a satisfactory agreement between experimental and calculated data on geometry and the type of magnetism for these compo...
Spin–Orbit Coupling and d^n–d^n Interactions in A_3M_2X_9 Enneahalodimetalates
null
2015-01-01
Phase-change materials (PCMs) [111, 112] are a class of materials which have become of tremendous technological importance over the last two decades. Their ability of a fast and reversible phase transition between an amorphous and crystalline phase makes them appropriate for the application in data storage. PCMs based ...
Identification of Tellurium based Phase-Change Materials as Strong Topological Insulators
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2015-01-01
Based on a new supercurrent generation mechanism proposed for the cuprate superconductivity (as reported by Koizumi (J. Supercond. Nov. Magn. 24:1997, 2011 ); Hidekata and Koizumi (J. Supercond. Nov. Magn. 24:2253, 2011 ); Koizumi et al. (J. Supercond. Nov. Magn. 27:121, 2014 ); Koizumi et al. (J. Supercond. Nov. Magn....
Supercurrent Generation by Spin-twisting Itinerant Motion of Electrons: Re-derivation of the ac Josephson Effect Including the Current Flow Through the Leads Connected to Josephson Junction
null
2015-01-01
This chapter describes the high-resolution spin- and angle-resolved photoemission spectroscopy (spin-resolved ARPES) result of bismuth thin film on silicon (111) substrate to investigate the spin structure of surface states. Unlike the conventional Rashba splitting, the magnitude of the in-plane spin polarization was f...
Anomalous Rashba Effect of a Bi Thin Film on Si(111)
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2015-01-01
All chemical reactions obey the law of conservation of spin angular momentum (‘spin’): any reaction is only allowed when the total spin of reactants is identical to the total spin of products. Correspondingly, free-radical reactions in molecular liquids can be accelerated by changing in electron spin of the reactants v...
Nuclear Spin Catalysis: From Molecular Liquids to Biomolecular Nanoreactors
null
2015-01-01
A convenient description of an interacting, inhomogeneous electron gas is derived within the second quantization. Electrons are described by fermionic field operators depending on space, spin, and time with either creation or annihilation character. The many-electron Hamiltonian including the longitudinal electron-elec...
Exchange and Correlation
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2015-01-01
The electronic structure of the bismuth thin film near the $${\overline{\text{M}}}$$ M ¯ point varies depending on the film thickness d due to the quantization along the thickness direction (perpendicular to the surface).
Rashba Effect at Interface of a Bi Thin Film on Si(111)
null
2015-01-01
To understand and discuss the experimentally obtained photoemission data, it is important to understand the principle of an experimental method and an analysis of the data. In this chapter, the basic principle of photoemission spectroscopy and the spin detector is explained, by particularly emphasizing the angle-resolv...
Basic Principle of Photoemission Spectroscopy and Spin Detector
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2015-01-01
Given a translation-invariant Hamiltonian $$H$$ H , a ground state on the lattice $$\mathbb {Z}^d$$ Z d is a configuration whose energy, calculated with respect to $$H$$ H , cannot be lowered by altering its states on a finite number of sites. The set formed by these configurations is translation-invariant. Given an ob...
An Ergodic Description of Ground States
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2015-01-01
Chronometry or numerical dating aims to provide age estimates in terms of years for archaeological and paleoanthropological events or processes. Most of the methods currently applied with success are based on the physical phenomenon of radioactivity, which provides the clock. Ongoing developments in the last few decade...
Chronometric Methods in Paleoanthropology
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2015-01-01
The density functional theory does not provide any useful computational scheme to apply it to real systems such as condensed matter. The way to make it applicable is based on the idea of Kohn and Sham to project the interacting electron gas onto a non-interacting reference or auxiliary system. More in detail, the Kohn-...
Kohn-Sham Scheme
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2015-01-01
This chapter describes an ultrahigh-resolution spin-resolved photoemission spectrometer with a highly efficient mini Mott detector. To determine the three-dimensional spin-polarization, an electron deflector has been situated between the analyzer and the Mott detector.
Development of High Resolution Spin-Resolved Photoemission Spectrometer
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2015-01-01
Oxidative stress overwhelms the natural antioxidant defense system by creating imbalance in production and consumption of reactive oxygen species (ROS). A number of reactive molecules and free radicals exemplify the ROS. Accurate measurement of ROS may help in the diagnosis of various diseases such as diabetes, cancer,...
Tools and Techniques to Measure Oxidative Stress
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2014-12-23
As the experimental data from kaonic atoms and $ K^{-}N$ scatterings imply that the $ K^{-}$ -nucleon intenraction is strongly attractive at saturation density, there is a possibility to form $ K^{-}$ -nuclear bound states or kaonic nuclei. In this work, we investigate the ground-state properties of the light kaonic nu...
Relativistic symmetry breaking in light kaonic nuclei
null
2014-12-01
Topological insulators have a bulk band gap like an ordinary insulator and conducting states on their edge or surface which are formed by spin-orbit coupling and protected by time-reversal symmetry. We report theoretical analyses of the electronic properties of three-dimensional topological insulator Bi_2Se_3 film on d...
A computational investigation of topological insulator Bi_2Se_3 film
null
2014-12-01
We investigated the dwell time of electrons tunneling through an asymmetric barrier in monolayer graphene with the Rashba spin–orbit interaction (RSOI). The results show that the dwell time oscillates by increasing the barrier width, RSOI strength, and the bias voltage. In addition, when an external electric field is p...
Rashba spin–orbit effect on dwell time in graphene asymmetrical barrier
null
2014-12-01
Polycrystalline BiFeO_3 (BFO), Bi_0.90Gd_0.10FeO_3 (BGF), Bi_0.90Gd_0.10Fe_1−xTi_xO_3 (x = 0.03–0.10; BGFT_x) ceramics were prepared via solid state reaction method. X-ray diffraction studies reveal R3c symmetry for BFO and BGF samples and coexistence of R3c  +  Pn2 _ 1 a symmetries for BGFT_x samples. The change in li...
Electron spin resonance study and improved magnetic and dielectric properties of Gd–Ti co-substituted BiFeO_3 ceramics
null
2014-12-01
The pseudospin and spin symmetric solutions of the Dirac equation with Hulthén-type tensor interaction are obtained under multi-parameter-exponential potential (MEP) for arbitrary κ states. The energy eigenvalues and the corresponding eigenfunctions are also obtained using the parametric Nikiforov-Uvarov (NU) method. S...
Dirac equation with multiparameter-potential and Hulthén tensor interaction under relativistic symmetries
null
2014-11-01
Using optimized iso-scalar and iso-vector tensor coupling constants in Skyrme Hartree–Fock calculation which reproduces the splitting of spin–orbit partners 1f_7/2–1f_5/2 in ^40,48Ca and ^56Ni, the evolution of shells in the nuclear chart have been studied through developments in spin–orbit splitting. Signatures for al...
Uses of tensor-induced spin–orbit splitting to locate spherical doubly-magic SHE
null
2014-11-01
The local lattice distortions and the electron paramagnetic resonance (EPR) parameters (anisotropic g factors and the hyperfine structure constants) for the two Pt^3+ centers in ZnWO_4 are theoretically investigated by utilizing the perturbation formulas of these parameters for a 5 d ^7 ion under rhombically elongated ...
Interpretation of the EPR parameters through investigating the local lattice deformations for the two Pt^3+ centers in ZnWO_4
null
2014-10-25
We have implemented the unrestricted DFT approach with one-electron spin–orbit operators in the massively parallel NWChem program. Also implemented is the analytic gradient in the DFT approach with spin–orbit interactions. The current capabilities include single-point calculations and geometry optimization. Vibrational...
Spin–orbit DFT with analytic gradients and applications to heavy element compounds
null
2014-10-14
Within the framework of the spin and pseudospin symmetry limit, we approximately present the analytical solutions of bound and scattering states of the Dirac equation with modified Yukawa potential including three-tensor interactions comprising Coulomb-like, Yukawa-like and Hulthén-type potentials. The energy equation,...
Bound and scattering states of modified Yukawa potential under relativistic spin and pseudospin symmetries with three tensor interactions
null
2014-10-01
Melting of N = 20 shell and development of N = 16 and 32 shells for neutron-rich nuclei have been studied extensively by including tensor interaction in Skyrme–Hartree–Fock theory optimized to reproduce the splitting Δ1 f shells of ^40,48Ca and ^56Ni nuclei. Evolution of gap generated by the energy difference of single...
Emergence of new magic numbers, N = 16 and 32 by tensor interaction in Skyrme–Hartree–Fock theory
null
2014-10-01
The electronic structure of the PuRhGa_5 compound has been investigated within the framework of the spin-fluctuation theory and the LDA + U +SO calculations (by means of LAPW basis). The parameter values of electron-electron interactions were determined from the best agreement between the experimental data and the temp...
Magnetic Susceptibility and Features of Electronic Structure PuRhGa_ 5
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2014-09-01
The electrical resistance of Gd_ x Mn_1 − x S solid solutions with x = 0.1, 0.15, and 0.2 has been measured at magnetic field H = 0.8 T and at zero magnetic field within the 100 K < T < 550 K temperature range. The magnetoresistance peak is observed above room temperature. On heating, the composition with x = 0.2 exhib...
Magnetotransport effects in paramagnetic Gd_ x Mn_1 − x S
null
2014-09-01
The results of the study of the optical properties and electronic structure of the Er_5Ge_3 compound have been presented. In the wavelength range of 0.22–15 μm (0.083–5.64 eV), the optical constants have been measured, and the spectral and electronic characteristics have been determined. The spin-polarization calculati...
Optical spectroscopy and electronic structure of the Er_5Ge_3 compound
null
2014-08-01
We consider a two-dimensional system of harmonically trapped particles with pseudo-spin- $${\frac{1}{2}}$$ 1 2 degree of freedom. This degree of freedom is coupled to the particle’s momentum via the so-called Rashba spin-orbit interaction. We present our numerical results for a single-particle and few-particle systems,...
Spin-Orbit Coupling in Deformed Harmonic Traps
null
2014-08-01
Gas-phase CS_2 activation by M^+ (M = Ta, W, Re) was studied by the B3LYP density functional method.The geometries for reactants, transition states, and products were completely optimized. CS_2 activation mediated by M^+ (M = Ta, W, Re) were found to be a spin-forbidden process as a result of the crossing among the mul...
Theoretical studies of the reactions of M^+ (M = Ta, W, Re) with CS_2
null
2014-08-01
Single-particle sequential tunneling is studied through a negative- U center hybridized with a superconducting, a ferromagnetic, and a normal metal electrodes. In stark contrast to the case of positive U , the single-particle tunneling in attractive charging energy is usually prohibited by ground states with electrons ...
Generation of adjustable pure spin currents in negative-U systems
null
2014-08-01
On the example of a simple exactly solved model of the potential well formed by three piecewise-constant potentials, it is demonstrated that spin splitting of electronic levels (the Rashba effect) exists only for an approximate description with the Pauli equation. An exact problem solution based on the Dirac equation d...
Relativistic Corrections to the Theory of Nanostructures
null
2014-07-27
Electronic transport and spin-filtering effects in carbene-containing molecules were examined theoretically using first-principles density functional theory. A carbene-containing molecule sandwiched between gold electrodes was constructed as a model for calculating electronic and spin transport properties. Molecules co...
Spin-filtering effects in carbene-containing molecules
null
2014-07-17
A strategy to calculate spin-orbit splitting for inner-shell transitions at an ab initio level is presented. The initial wave function is calculated for a spinless Hamiltonian at a multiconfigurational level, with just a few configurations, followed by multireference configuration interaction in order to establish a se...
Spin-orbit splitting for inner-shell 2p states
null
2014-07-01
In this paper, we calculate the energy spectra and the corresponding wavefunction for the symmetric and asymmetric trigonometric Rosen-Morse potential of the Dirac equation within the framework of spin and pseudospin symmetry limits including the tensor interaction using the supersymmetric quantum mechanics (SUSYQM) fo...
Solutions to the Dirac equation for symmetric and asymmetric trigonometric Rosen-Morse potential using SUSYQM
null
2014-07-01
In this paper, we consider the relativistic Dirac equation with Tietz and general Manning-Rosen potential. By using appropriate approximation, we obtained the approximate analytical solutions of the Dirac equation for the combined potential via the supersymmetric quantum mechanics (SUSYQM). Within the framework of spin...
Approximate solutions of Dirac equation for Tietz and general Manning-Rosen potentials using SUSYQM
null
2014-07-01
The thermal behavior of the quantum correlations in a three-qubit Ising model with added Dzyaloshinskii–Moriya (DM) interaction is studied. Quantum correlations are calculated in the three-qubit system through symmetric (SY) and nonsymmetric (NYS) ways. In particular, the study is focused on the concurrence (C) and the...
Quantum Correlations in Three-Qubit Ising Model with Added Dzyaloshinskii–Moriya Interaction
null
2014-07-01
Heterometallic compounds of general formula [Fe _2 ^III M^IIO(O_2CR)_6(H_2O)_3] · 3H_2O (R = CH_3, M = Co, Ni; R = CCl_3, M = Co, Ni) have been studied by XPS. The compounds have been identified as high-spin complexes with metal atoms in oxidation states M(II) and M(III). Analysis of the XPS data revealed the tendency ...
XPS study of the electronic structure of heterometallic complexes [Fe_2MO(O_2CCH_3)_6(H_2O)_3] · 3H_2O (M = Co, Ni)
null
2014-07-01
How do the quark and gluon share the nucleon momentum? How does the nucleon spin distribute among its constituents? What means the quark and gluon momentum, spin and orbital angular momentum? These problems are analyzed and a solution is proposed based on gauge invariance principle, canonical quantization rule and Poin...
Problems related to gauge invariance and momentum, spin decomposition in nucleon structure study
null
2014-06-20
NBO-NJC decomposition of vicinal ^3 J _ HH spin-spin coupling constants into Lewis, delocalization, and repolarization contributions are presented. A deep study allows to assign the main contributions to specific orbitals or electron delocalizations between two orbitals. ^3 J _ HH torsional dependence and the substitue...
Natural bond orbital/natural J-coupling study of vicinal couplings
null
2014-06-01
We have studied the correlation between the structural distortion and the electronic/magnetic properties in single-crystalline (Lu,Sc)Fe2O4 (Sc = 0.05 and 0.3) by using X-ray diffraction (XRD), magnetic susceptibility, and X-ray absorption spectroscopy (XAS)/X-ray magnetic circular dichroism (XMCD) measurements. The Ri...
Effects of structural distortion induced by Sc substitution in LuFe_2O_4
null
2014-06-01
In the present work, the Schrödinger equation for a pseudo-dot is solved analytically by using the Laplace transformation. Then, by using the variational procedure, the donor binding energy is calculated with a hydrogenic donor impurity at the center. Finally, the hydrostatic pressure effect on the spin-orbit interacti...
Spin-orbit interaction in a quantum pseudodot: pressure effect
null
2014-06-01
The mechanism of the cyclic reaction N_2O(^1∑) + CO(^1∑^+) → N_2(^1∑ _g ^+ ) + CO_2(^1∑ _g ^+ ) catalyzed by Re^+ has been investigated on quintet and septet potential energy surfaces (PES). The reactions were studied by the B3LYP density functional method and the CCSD(T) theory. The calculated results of different PES...
On the catalytic role of Re^+ in the oxygen transport activation of N_2O by CO
null
2014-05-08
In this paper, we present the solutions of the Dirac equation for the Möbius square potential with arbitrary spin orbit coupling number κ under quasi-spin and quasi-pseudospin symmetry limits in ( D + 1) dimensions. The parametric Nikiforov-Uvarov method is used to obtain the energy eigenvalues and the corresponding wa...
Symmetry limits of (D+1)-dimensional Dirac equation with Möbius square potential
null
2014-05-01
This perspective article discusses some widely-known and some less-known consequences of spin-orbit effects in inorganic chemistry, and provides a brief outline of the theoretical methods currently in use, along with a discussion of recent developments and selected applications. This is of critical importance in the in...
Aspects of spin-orbit effects in compounds containing heavy elements
null
2014-05-01
Angular dependences of density matrix spin tensors and sublevel populations are experimentally reconstructed for the ^24Mg(2^+, 1.369 MeV) nucleus formed in the inelastic scattering of deuterons by ^24Mg at E _d = 15.3 MeV and deuteron emission angles from 25° to 165° (lab). The experimental results are compared to tho...
Populations of sublevels ^24Mg(2^+) nucleus formed in the reaction ^24Mg(d, d_1γ)^24Mg at E _d = 15.3 MeV
null
2014-05-01
Optical-model analysis of proton elastic scattering from ^6He has been carried out for eight sets of elastic scattering data at energies, 24.5, 25.0, 36.2, 38.3, 40.9, 41.6, 71.0 and 82.3 MeV/n respectively. The vector analyzing power and differential cross section for the elastic scattering of ^6He nucleus from polari...
Optical model analysis of p+^6He scattering over a wide range of energy
null
2014-05-01
Light beams with a helical phase-front possess orbital angular momentum along their direction of propagation in addition to the spin angular momentum that describes their polarisation. Until recently, it was thought that these two ‘rotational’ motions of light were largely independent and could not be coupled during li...
Generating optical orbital angular momentum at visible wavelengths using a plasmonic metasurface
null
2014-05-01
In this paper, we obtain the approximate analytical bound-state solutions of the Dirac particle with the generalized Yukawa potential within the framework of spin and pseudospin symmetries for the arbitrary к state with a generalized tensor interaction. The generalized parametric Nikiforov-Uvarov method is used to obta...
Approximate bound-state solutions of the Dirac equation for the generalized yukawa potential plus the generalized tensor interaction
null
2014-05-01
An analysis of the electron spin resonance (ESR) spectrum of transparent ceramics composed of yttrium oxide with zirconium and hafnium additives has revealed the presence of signals (with similar parameters) from Zr^3+ and Hf^3+ ions, which have a similar electron configurations of the ground states: [Kr]4 d ^1 and [Xe...
Trivalent zirconium and hafnium ions in yttrium oxide ceramics
null
2014-04-01
We investigate theoretically the ground states of Bose–Einstein condensates with Rashba spin–orbit coupling in optical lattices within mean-field framework. We obtain numerically the Bloch states and energy spectrum for the single particle Hamiltonian, meanwhile the analytical solution of Bloch states is also presented...
Vortex–Antivortex-Pair Lattices in Spin–Orbit Coupled Bose–Einstein Condensates
null
2014-04-01
One- and two bond spin–spin coupling constants, ^1 J , ^1h J , and ^2h J across X–H⋯O hydrogen bonds and shielding constants of bridging hydrogens have been computed for complexes formed from interaction between the α-hydroxy- N -nitrosamine ( NP ) and four preferential binding sites of the uracil ( U ) at B3LYP/6-311+...
NMR chemical shielding and spin–spin coupling constants across hydrogen bonds in uracil–α-hydroxy-N-nitrosamine complexes
null
2014-04-01
We report on the temperature-dependent optical absorption spectra of an orthorhombic SrIrO_3 thin film in the energy region between 0.08 and 6 eV. The optical absorption spectra show the characteristic spectral features associated with spin-orbit coupling-induced effective total angular momentum J _ eff states. A Drude...
Temperature dependence of the optical response of perovskite-type SrIrO_3 thin film
null
2014-04-01
Quantum interference effects on the spin-dependent transport in a molecular spin-valve, as FM/Benzene/FM model junction, in which a benzene molecule attached to ferromagnetic (FM) three-dimensional leads is numerically investigated. Using a generalized Green’s function method and in the framework of Landauer–Büttiker f...
Influence of Quantum Interference on the Tunnel Magnetoresistance in a Molecular Junction in the Presence of In-Plane Electric Field
null
2014-04-01
In this paper, we have presented approximately analytical solution of Dirac equation under the pseudospin and spin symmetry for Deng–Fan potential. We have considered Yukawa potential as a tensor interaction. Some numerical results for energy eigenvalues and the corresponding wave functions of Dirac equation in both ps...
Pseudospin and spin symmetry of Dirac equation under Deng–Fan potential and Yukawa potential as a tensor interaction
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2014-03-11
Semiclassical Monte Carlo simulation is used to determine the effect of microscopic ripples on spin relaxation length in freely suspended single-layer graphene. Spin relaxation lengths are simulated using D’yakonov–Perel mechanisms, with comparisons made by including ripple scattering mechanisms along with phonon scatt...
Effect of microscopic ripples on spin relaxation length in single-layer graphene
null
2014-03-05
Ab initio MP2/aug’-cc-pVTZ calculations have been carried out on complexes H_2XP_s:P_tCX, for X = F, Cl, OH, NC, CN, CCH, CH_3, and H, in search of complexes stabilized by P···P pnicogen bonds. These intermolecular bonds arise when a pnicogen atom acts as a Lewis acid for complex formation. Three sets of equilibrium st...
σ–σ and σ–π pnicogen bonds in complexes H_2XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH_3, and H
null
2014-03-01
We derive a model of localized edge states in a finite-width strip for the two-dimensional electron gas formed in the hybrid system of a bismuth monolayer deposited on the silicon interface and described by the nearly free electron model with giant spin-orbit splitting. The edge states have the energy dispersion in the...
Edge states and topological properties of electrons on the bismuth on silicon surface with giant spin-orbit coupling
null
2014-03-01
We discuss the effect of the gravitational field of a massive body on the spin entanglement of a two-qubit system in the singlet and triplet spin states in circular geodesic motion. We study the entanglement transport using Wootters concurrence, which depends on the momentum state of the system. We describe the behavio...
Entangled spin states in geodesic motion around massive body
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2014-03-01
The structural, electronic, and magnetic phase transitions induced by the isovalent substitution of the rare-earth Nd^3+ ion for the La^3+ ion with a larger radius have been investigated in the system of self-doped manganites La_1 − y Nd_ y MnO_3 + δ (0 ≤ y ≤ 1; δ ∼ 0.1). For the average radius of the ions in A -sites ...
Modulated quasi-two-dimensional antiferromagnetic structures in La_1 − y Nd_ y MnO_3 + δ manganites
null
2014-03-01
Relativistic symmetries of Dirac equation, i.e. spin and pseudospin symmetries are investigated for a modified Yukawa potential including a Yukawa tensor interaction. Using supersymmetry quantum mechanics and a proper approximation to the inverse square centrifugal term, arbitrary-state solutions are reported in an ana...
Supersymmetry quantum mechanics to Dirac equation with a modified Yukawa potential and a Yukawa tensor term
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2014-03-01
We show that the spin angular momentum (SAM) flux in a space-variant linearly polarized beam can be separated in the focal plane. Such a beam carries only orbital angular momentum (OAM) and develops a net SAM flux upon focusing. The radial splitting of the SAM flux density is mediated by the phase vortex (or OAM) and c...
Separation of spin angular momentum in space-variant linearly polarized beam
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2014-02-01
The 1D spin-1/2 Ising model in a uniform magnetic field with added the Dzyaloshinskii–Moriya (DM) interaction is considered. The energy spectrum is obtained using the fermionization approach and defining some mean field order parameters. Then the specific heat is determined in an infinite chain system. Results show tha...
Specific Heat of the 1D Spin-1/2 Ising Model with Added Dzyaloshinskii–Moriya Interaction
null
2014-01-01
The structural, electronic, and vibrational properties of MoS_2 together with other semiconducting transition metal dichalcogenides (TMDCs) are investigated based on first principles calculations. Due to its layered structure, single-layer MoS_2 can be fabricated by the mechanical exfoliation method. The band structure...
MoS_2: A First-Principles Perspective
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2014-01-01
The two-state reaction mechanism of CpCo(C_4H_4) with isocyanate on the triplet and singlet potential energy surfaces has been investigated at the B3LYP level. A study is described for the computation of spin–orbit coupling of triplet state of the minimal energy crossing point (CP) with their singlet states and of the ...
Theoretical study of spin–orbit coupling and zero-field splitting in the spin-forbidden two-state reaction between cobaltacyclopentadiene and isocyanate
null
2014-01-01
The electronic and spin structure of quantum-well and interface states, formed in the system, consisting of bilayer of Bi on 1 ML Ag/W(110) was investigated by angle- and spin- resolved photoelectron spectroscopy. It has been shown that interface states are formed in local surface-projected gap of W(110) and are charac...
Spin polarization of quantum-well and interface states of ultrathin films of Bi on w(110) with Ag interlayers
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2014-01-01
Spectroscopic measurements normally reach a very high level of accuracy, which means that the non-relativistic approximation introduced in the previous chapter is not sufficient, in the vast majority of cases, to give a quantitatively adequate description of the atomic spectra. In particular, on the basis of this appro...
More Details on Atomic Spectra
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2014-01-01
The Bogoliubov-de Gennes equation is applied to the study of the spin-orbit coupling (SOC) effects in s-wave superconductor/insulator/d-wave superconductor junctions. It is found that the dc Josephson currents show a nonmonotonic dependence on SOC scattering strength. The phase-current relationship for the spin-up and ...
Spin-Orbit Coupling Effects in the dc Josephson Current in the s Wave Superconductor/Insulator/d Wave Superconductor Junction
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2014-01-01
Quantum nanostructures are frequently referred to as artificial atoms. Like the natural atoms they show a discrete spectrum of energy levels but at the same time they exhibit new physics which has no analogue in real atoms. Electrons in an atom are attracted to the nucleus by a potential that diminishes inversely propo...
Engineering of Electron States and Spin Relaxation in Quantum Rings and Quantum Dot-Ring Nanostructures
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2014-01-01
Many applications of semiconductor quantum dots rely on the use of valence band holes. A prominent example is current endeavour to develop quantum information science using the spin of holes rather than that of electrons. Understanding the spin and orbital properties of holes is necessary for further progress. In self-...
Hole Mixing in Semiconductor Quantum Rings
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2014-01-01
Electronic structure computations have been performed on diradical systems composed of two carborane radicals CB_11H_12 ^. connected through acetylene, ethylene and ethane bridge units, leading, respectively, to a linear and two trans structures. Each cage possesses one unpaired electron and the total system can thus b...
Electronic structure studies of diradicals derived from Closo-Carboranes
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2014-01-01
Angular momentum is a critical part of quantum mechanics (QM), with applications throughout spectroscopy, magnetism, and solid state physics. This chapter assumes you are somewhat familiar with quantum angular momentum, and therefore we focus on the more conceptually challenging aspects.
Angular Momentum
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2014-01-01
In this chapter we investigate spin relaxation in thin silicon films. We employ a k · p based approach to investigate surface roughness and phonon induced momentum and spin relaxation matrix elements. We show that the spin relaxation matrix elements strongly decrease with shear strain increased. In order to meet comput...
Uniaxial Shear Strain as a Mechanism to Increase Spin Lifetime in Thin Film of a SOI-Based Silicon Spin FETs
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2014-01-01
Due to the particular confinement and reduced dimensionality of quantum rings, Coulomb interaction plays an important role for their electronic structure. In this chapter, we discuss the dependency of the ground state of an idealized quantum ring contained a small number of interacting electrons on geometric parameters...
Coulomb Interaction in Finite-Width Quantum Rings
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2014-01-01
Geometric parameters of 5-methylresorcinol (MR) molecules in different spin states (^1,3,5MR) and its complexes with oxygen (^1,3(O_2-MR)) are determined within the DFT/B3LYP method. Cross-sections of potential energy surfaces of the formation reaction of the intermolecular complex ^1,3(O_2-MR) are plotted in MCSCF fun...
Effect of 5-methylresorcinol on spin conversion in molecular oxygen
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2014-01-01
Polarization phenomena are expected and are important whenever we deal with particles with spin and especially whenever spin-dependent forces contribute to the interaction. Such forces such as a nuclear spin-orbit ( L S ) force, a spin-spin force, and a tensor force are present already in the interaction between two nu...
Polarization in Nuclear Reactions—Formalism
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2014-01-01
Using the continual model of a semi-infinite three dimensional (3D) topological insulator (TI) we study the effect of the surface potential (SP) on the formation of helical topological states near the surface. The results reveal that spatial profile and spectrum of these states strongly depend on the SP type and streng...
Engineering near-surface electron states in three-dimensional topological insulators
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2014-01-01
Polymers for Organic Spintronics
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2014-01-01
This chapter describes the optical properties of graphene quantum dots. It discusses the size, shape and edge dependence of the energy gap, optical joint density of states, excitons, charged excitons, optical spin blockade and optical control of the magnetic moment in triangular graphene quantum dots with zigzag edges....
Optical Properties of Graphene Nanostructures
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2014-01-01
We study the spin transport in ferromagnet/ferromagnet/s-wave superconductor hybrid system with the extended Blander-Tinkham-Klapwijk formalism. We show the subgap spin conductance dominated by Andreev reflection is susceptible to the relative orientation of the two magnetizations. A giant spin tunneling magnetoresista...
Spin Transport in Ferromagnet/Ferromagnet/s-Wave Superconductor Hybrid System
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2013-11-01
Approximate analytical solutions of the Dirac equation are obtained for the Yukawa potential plus a tensor interaction with any κ -value for the cases having the Dirac equation pseudospin and spin symmetry. The potential describing tensor interaction has a Yukawa-like form. Closed forms of the energy eigenvalue equatio...
Approximate Analytical Solutions of the Dirac Equation for Yukawa Potential Plus Tensor Interaction with Any κ-Value
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2013-11-01
The Dirac equation for the combined Mobius square and inversely quadratic Yukawa potentials including a Coulomb-like interaction term has been investigated in the presence of spin and pseudospin symmetries with arbitrary spin-orbit quantum number κ .We have obtained the explicit energy eigenvalues and the corresponding...
Relativistic Spin and Pseudospin Symmetries of Inversely Quadratic Yukawa-like plus Mobius Square Potentials Including a Coulomb-like Tensor Interaction
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2013-11-01
The exact pseudospin symmetry solutions of Dirac equation with position-dependent mass (PDM) Coulomb potential in the presence of Colulomb-like tensor potential are obtained by using Laplace transform (LT) approach. The energy eigenvalue equation of the Dirac particles is found and some numerical results are given. By ...
Pseudospin Symmetry in Position-Dependent Mass Dirac-Coulomb Problem by Using Laplace Transform and Convolution Integral
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2013-11-01
The solutions of the Dirac equation with Modified Tietz and Modified Poschl-Teller scaler and vector potentials including the tensor interaction term for arbitrary spin-orbit quantum number κ are presented. We obtained the energy eigenvalues and the corresponding wave functions using the supersymmetry method. To show t...
Solutions of Dirac Equation in the Presence of Modified Tietz and Modified Poschl-Teller Potentials Plus a Coulomb-Like Tensor Interaction Using SUSYQM
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2013-11-01
In this letter, we present exact solutions of the Dirac equation with the mixed scalar-vector-pseudoscalar spatially dependent mass Coulomb potential under spin and pseudospin (p-spin) symmetry limits in 1+1 dimensions.
Spin-1/2 Particle in Scalar-Vector-Pseudoscalar Spatially Dependent Mass Coulomb Fields: 1 + 1 Dimensions
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2013-11-01
The Klein–Gordon equation with vector and scalar Woods–Saxon potentials is solved in terms of hypergeometric functions. The transmission and reflection coefficients as well as the bound state solutions are reported.
Scattering of Relativistic Spinless Particles by the Woods–Saxon Potential
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2013-11-01
The reactivity of aryl cations toward molecular nitrogen is studied systematically in an ion trap mass spectrometer at 10^2 Pascal of nitrogen, the pressure of the Titan main haze layer. Nucleophilic addition of dinitrogen occurs and the nature of aryl group has a significant influence on the reactivity, through induct...
Nucleophilic Addition of Nitrogen to Aryl Cations: Mimicking Titan Chemistry
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2013-10-04
Based on the concept of the SUSYQM approach and the functional analysis method, we have obtained the energy eigenvalues and the corresponding eigenfunctions of the Dirac equation under the Deng-Fan potential with the Hulthén potential as tensor interaction. We have reported the results in pseudospin and spin symmetry l...
Dirac equation under the Deng-Fan potential and the Hulthén potential as a tensor interaction via SUSYQM
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2013-10-01
In this paper, we investigate the bound-state solutions of the Dirac equation with the generalized Deng-Fan potential within the framework of spin and pseudospin symmetries and with Coulomblike and Yukawa-like tensor interactions by using a supersymmetric quantum-mechanics (SUSYQM) formulation. We obtain the energy eig...
Dirac equation for the generalized Deng-Fan potential with coulomb and Yukawa tensor interactions
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