Related papers: Dynamical magnetic excitations of nanostructures f…
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth…
On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extracted from the momentum-dependence of the inelastic neutron…
Interaction between local magnetization and conduction electrons is responsible for a variety of phenomena in magnetic materials. We have shown that the spin-dependent motive force induced by magnetization dynamics in a conducting…
The frequency-dependent transport through a nano-device containing a large-spin magnetic molecule is studied theoretically in the Kondo regime. Specifically, the effect of magnetic anisotropy on dynamical spin accumulation is of primary…
We investigate the spin-dependent thermoelectric effect of graphene flakes with magnetic edges in the ballistic regime. Employing static, respectively, dynamic mean-field theory we first show that magnetism appears at the zigzag edges for a…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
This study demonstrates how the spin quantum dynamics of a single Fe atom adsorbed on Cu(001) can be controlled and manipulated by the vibrations of a nearby copper tip attached to a nano cantilever by virtue of the dynamic magnetic…
We study the Landau damping of ferromagnetic magnons in Fe, Co, and Ni as the dimensionality of the system is reduced from three to two. We resort to the \textit{ab initio} linear response time dependent density functional theory in the…
The longitudinal dipole response of a quantum dot has been calculated in the far-infrared regime using local spin density functional theory. We have studied the coupling between the collective spin and density modes as a function of the…
While the ground state of magnetic materials is in general well described on the basis of spin density functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond…
We study the spin-wave excitations in $\alpha$-RuCl$_3$ by the spin-wave theory. Starting from the five-orbital Hubbard model and the perturbation theory, we derive an effective isospin-$1/2$ model in the large Hubbard ($U$) limit. Based on…
We analyze theoretically the demagnetization dynamics in a ferromagnetic model system due to the interplay of spin-orbit coupling and electron-electron Coulomb scattering. We compute the $k$-resolved electronic reduced spin-density matrix…
The time-dependent transport through a nano-scale device, consisting of a single spin-degenerate orbital with on-site Coulomb interaction, coupled to two leads, is investigated. Various gate and bias voltage time-dependences are considered.…
Magnetic nanostructures on non-magnetic or magnetic substrates have attracted strong attention due to the development of new experimental methods with atomic resolution. Motivated by this progress we have extended the full-potential…
We derive and analyse the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). Results are (i) a prescription for obtaining many-body corrections to the single-particle spin…
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…
We propose and compare different strategies to construct dynamic density functional theories (DDFTs) for inhomogeneous polymer systems close to equilibrium from microscopic simulation trajectories. We focus on the systematic construction of…
A spin dynamics approach has been used to study the behavior of the magnetic spins and the electric pseudo-spins in a 1-D composite multiferroic chain with a linear magneto-electric coupling at the interface. The response is investigated…
The magnetoresistivity tensor of an interacting two-dimensional electron system with a lateral and unidirectional electric or magnetic modulation, in a perpendicular quantizing magnetic field, is calculated within the Kubo formalism. The…
We use the constrained random phase approximation (cRPA) to derive from first principles the Ru-$t_{2g}$ Wannier function based model for the Kitaev spin-liquid candidate material $\alpha$-RuCl$_3$. We find the non-local Coulomb repulsion…