Search results for "–O"
showing 10 items of 201 documents
Synchronization of optical photons for quantum information processing
2015
We observe the Hong-Ou-Mandel interference via homodyne tomography on two photons extracted from two quantum memories.
Spheroidal and hyperspheroidal coordinates in the adiabatic representation of scattering states for the Coulomb three-body problem
2009
Recently, an involved approach has been used by Abramov (2008 J. Phys. B: At. Mol. Opt. Phys. 41 175201) to introduce a separable adiabatic basis into the hyperradial adiabatic (HA) approximation. The aim was to combine the separability of the Born–Oppenheimer (BO) adiabatic basis and the better asymptotic properties of the HA approach. Generalizing these results we present here three more different separable bases of the same type by making use of a previously introduced adiabatic Hamiltonian expressed in hyperspheroidal coordinates (Matveenko 1983 Phys. Lett. B 129 11). In addition, we propose a robust procedure which accounts in a stepwise procedure for the unphysical couplings that are …
Self-consistent field theory based molecular dynamics with linear system-size scaling
2012
We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented …
Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory.
2014
This work deals with the perturbative treatment of spin-orbit-coupling (SOC) effects within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e). We investigate two schemes for constructing the SFX2C-1e SOC matrix: the SFX2C-1e+SOC [der] scheme defines the SOC matrix elements based on SFX2C-1e analytic-derivative theory, hereby treating the SOC integrals as the perturbation; the SFX2C-1e+SOC [fd] scheme takes the difference between the X2C-1e and SFX2C-1e Hamiltonian matrices as the SOC perturbation. Furthermore, a mean-field approach in the SFX2C-1e framework is formulated and implemented to efficiently include two-electron SOC effects. Systematic approximations …
Spin-orbit torques from interfacial spin-orbit coupling for various interfaces
2017
We use a perturbative approach to study the effects of interfacial spin-orbit coupling in magnetic multilayers by treating the two-dimensional Rashba model in a fully three-dimensional description of electron transport near an interface. This formalism provides a compact analytic expression for current-induced spin-orbit torques in terms of unperturbed scattering coefficients, allowing computation of spin-orbit torques for various contexts, by simply substituting scattering coefficients into the formulas. It applies to calculations of spin-orbit torques for magnetic bilayers with bulk magnetism, those with interface magnetism, a normal metal/ferromagnetic insulator junction, and a topologic…
Spin-orbit-coupling induced torque in ballistic domain walls: equivalence of charge-pumping and nonequilibrium magnetization formalisms
2016
To study the effect of spin-orbit coupling (SOC) on spin-transfer torque in magnetic materials, we have implemented two theoretical formalisms that can accommodate SOC. Using the "charge-pumping" formalism, we find two contributions to the out-of-plane spin-transfer torque parameter $\beta$ in ballistic Ni domain walls (DWs). For short DWs, the nonadiabatic reflection of conduction electrons caused by the rapid spatial variation of the exchange potential results in an out-of-plane torque that increases rapidly with decreasing DW length. For long DWs, the Fermi level conduction channel anisotropy that gives rise to an intrinsic DW resistance in the presence of SOC leads to a linear dependenc…
Chaotic Cyclotron and Hall Trajectories Due to Spin-Orbit Coupling
2020
We demonstrate that the synergistic effect of a gauge field, Rashba spin-orbit coupling (SOC), and Zeeman splitting can generate chaotic cyclotron and Hall trajectories of particles. The physical origin of the chaotic behavior is that the SOC produces a spin-dependent (so-called anomalous) contribution to the particle velocity and the presence of Zeeman field reduces the number of integrals of motion. By using analytical and numerical arguments, we study the conditions of chaos emergence and report the dynamics both in the regular and chaotic regimes. {We observe the critical dependence of the dynamic patterns (such as the chaotic regime onset) on small variations in the initial conditions …
Understanding the Giant Enhancement of Exchange Interaction in Bi2Se3−EuS Heterostructures
2017
A recent experiment indicated that a ferromagnetic EuS film in contact with a topological insulator ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ might show a largely enhanced Curie temperature and perpendicular magnetic anisotropy [F. Katmis et al., Nature (London) 533, 513 (2016).]. Through systematic density functional calculations, we demonstrate that in addition to the factor that ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ has a strong spin orbit coupling, the topological surface states are crucial to make these unusual behaviors robust as they hybridize with EuS states and extend rather far into the magnetic layers. The magnetic moments of Eu atoms are nevertheless not much enhanced, unlike what was…
Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods.
2018
A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects using the SFX2C-1e scheme extends the applicability of the perturbative treatment of SOC to molecules that contain heavy elements. The contributions from relaxation of the coupled-cluster amplitudes are shown to be relatively small; significant contributions from correlating the inner-core orbitals are …
Chaotization of internal motion of excitons in ultrathin layers by spin–orbit coupling
2018
We show that Rashba spin-orbit coupling (SOC) can generate chaotic behavior of excitons in two-dimensional semiconductor structures. To model this chaos, we study a Kepler system with spin-orbit coupling and numerically obtain a transition to chaos at a sufficiently strong coupling. The chaos emerges since the SOC reduces the number of integrals of motion as compared to the number of degrees of freedom. Dynamically, the dependence of the exciton energy on the spin orientation in the presence of SOC produces an anomalous spin-dependent velocity resulting in chaotic motion. We observe numerically the critical dependence of the dynamics on the initial conditions, where the system can return to…