Related papers: Comparison of exact-exchange calculations for soli…
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-field strength, the formulation allows us to test the range…
We find a specific mechanism of background spin currents in two-dimensional electron systems with spatially nonuniform spin-orbit interaction (SOI) at thermodynamic equilibrium, in particular, in the systems consisting of regions with and…
We consider the spin response of a normal Fermi liquid with noncentral interactions under conditions intermediate between the collisionless and hydrodynamic regimes. This problem is of importance for calculations of neutrino properties in…
An exact expression for the spin-spin correlation function is derived for the zero-temperature random-field Ising model defined on a Bethe lattice of arbitrary coordination number. The correlation length describing dynamic spin-spin…
Circulating orbital currents produced by the spin-orbit interaction for a single electron spin in a quantum dot are explicitly evaluated at zero magnetic field, along with their effect on the total magnetic moment (spin and orbital) of the…
We derive a spin-orbital Hamiltonian for a triangular lattice of e_g orbital degenerate (Ni^{3+}) transition metal ions interacting via 90 degree superexchange involving (O^{2-}) anions, taking into account the on-site Coulomb interactions…
The exact form of the kinetic energy functional has remained elusive in orbital-free models of density functional theory (DFT). This has been the main stumbling block for the development of a general-purpose framework on this basis. Here,…
A recently developed quasi two-dimensional exact-exchange formalism within the framework of Density Functional Theory has been applied to a strongly inhomogeneous interacting electron gas, and the results were compared with state-of-the-art…
In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When…
We present a numerical study of persistent currents in quantum rings using current spin density functional theory (CSDFT). This formalism allows for a systematic study of the joint effects of both spin, interactions and impurities for…
We first exploit the physical condition satisfying the symmetry relation of the ``exact'' spin-resolved exchange correlation kernel based on the ``mixed scheme'' in soft magnetic layered systems. The conditions are derived and examined by…
We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
Existence of spinons is the defining property of quantum spin liquids. These exotic excitations have (fractionalized) spin quantum number and no electric charge, and have been proposed to form Fermi surfaces in the recently discovered…
A spin model which exhibits glassy dynamics has been proposed by Newman and Moore. This model possesses no randomness for exchange interactions. We propose partial trace methods for obtaining static exact solutions of this model under free…
We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…
We study the spin-crossover molecule Fe(phen)$_2$(NCS)$_2$ using density functional theory (DFT) plus dynamical mean-field theory, which allows access to observables not attainable with traditional quantum chemical or electronic structure…
We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This method avoids computationally expensive sums over empty states…
Magnetization switching using spin-orbit torque offers a promising route to developing non-volatile memory technologies. The prerequisite, however, is the charge-to-spin current conversion, which has been achieved traditionally by…