相关论文: Spin-Polarized Extended Lagrangian Born-Oppenheime…

We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…

The models of spin systems defined on Euclidean space provide powerful machinery for studying a broad range of condensed matter phenomena. While the non-relativistic effective description is sufficient for most of the applications, it is…

Manipulating the spin polarization of electron beams using light is highly desirable but exceedingly challenging, as the approaches proposed in previous studies using free-space light usually require enormous laser intensities. Here, we…

We present a theoretical study of the low-energy physics of a quarter-hole-filled two-orbital bilayer Hubbard model motivated by transition-metal bilayer systems with strong orbital-selective interlayer hybridization. By explicitly treating…

By leveraging the hyperfine interaction between the rotational and nuclear spin degrees of freedom, we demonstrate extensive magnetic control over the electric dipole moments, electric dipolar interactions, and ac Stark shifts of…

We present a Lagrangian-based implementation of Ehrenfest dynamics with nuclear-electronic orbital (NEO) theory and real-time time-dependent density functional theory (RT-TDDFT) for extended periodic systems. In addition to a quantum…

We develop an excited-state real-space renormalization group (RSRG-X) formalism to describe the dynamics of conserved densities in randomly interacting spin-$\frac{1}{2}$ systems. Our formalism is suitable for systems with $\textrm{U}(1)$…

We evaluate the non-equilibrium spin polarization induced by an applied electric field for a tight-binding model of electron states at oxides interfaces in LAO/STO heterostructures. By a combination of analytic and numerical approaches we…

From the study of long-range-interacting systems to the simulation of gauge fields, open-shell Lanthanide atoms with their large magnetic moment and narrow optical transitions open novel directions in the field of ultracold quantum gases.…

We summarize recent developments of the semiclassical description of shell effects in finite fermion systems with explicit inclusion of spin degrees of freedom, in particluar in the presence of spin-orbit interactions. We present a new…

We show that it is possible to obtain self-consistent and physically acceptable relativistic classical equations of motion for a point-like spin-half particle possessing an electric charge and a magnetic dipole moment, directly from a…

With the continuous growth of processing power for scientific computing, first principles Born-Oppenheimer molecular dynamics (MD) simulations are becoming increasingly popular for the study of a wide range of problems in materials science,…

We suggest a new spin orientation mechanism for localized electrons: $dynamic~electron~spin~polarization~provided~by~nuclear~spin~fluctuations$. The angular momentum for the electrons is gained from the nuclear spin system via the hyperfine…

We show that the electron spin polarization generated by an electrical current may have its direction controlled and magnitude amplified by periodic optical excitation. The electrical and optical spin control methods were combined and…

Through solution of the multielectron, semi-relativistic, time-dependent Schr\"{o}dinger equation, we show that angular streaking produces strongly spin-polarized electrons in a noble gas. The degree of spin polarization increases with the…

Time-dependent spin phenomena in condensed matter are most often either described in the weakly correlated limit of metallic Stoner/Slater-like magnetism via band theory or in the strongly correlated limit of Heisenberg-like interacting…

We present an Augmented Lagrangian formulation and its real-space implementation for non-periodic orbital-free Density Functional Theory (OF-DFT) calculations. In particular, we rewrite the constrained minimization problem of OF-DFT as a…

Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…

A remarkably long-lived spin plasmon may exist in two-dimensional electron liquids with imbalanced spin up and spin down population. Predictions for this interesting mode by Agarwal et al. [Phys. Rev. B 90, 155409 (2014)] are based on the…

Based on spin-charge coupled drift-diffusion equations, which are derived from kinetic equations for the spin-density matrix in a rigorous manner, the electric-field-induced nonequilibrium spin polarization is treated for a two-dimensional…