相关论文: Magnetic susceptibility, exchange interactions and…
Spin dynamics is calculated in the ferromagnetic (FM) state of the generalized Kondo lattice model taking into account strong on-site correlations between e_g electrons and antiferromagnetic (AFM) exchange among t_{2g} spins. Our study…
Applying the local density and dynamical mean field approximations to paramagnetic \gamma-iron we revisit the problem of theoretical description of magnetic properties in a wide temperature range. We show that contrary to \alpha-iron, the…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
We present an ab initio investigation of magnetic exchange interactions using the spin-spiral method implemented in the VASP code, with a comparative analysis of the self-consistent (SC) and magnetic force theorem (MFT) approaches. Using…
We use time-dependent spin-density-functional theory to study dynamical magnetic phenomena. First, we recall that the local-spin-density approximation (LSDA) fails to account correctly for magnetic fluctuations in the paramagnetic state of…
The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments,…
Spin excitation spectrum is studied in the double-exchange model with randomness. Applying the spin wave approximation and the spectral function analysis, we examine excitation energy and linewidth using analytical as well as numerical…
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…
We present a novel approach to calculate the effective exchange interaction parameters based on the realistic electronic structure of correlated magnetic crystals in local approach with the frequency dependent self energy. The analog of…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
A characteristic feature of the Gaussian approximation in the functional-integral approach to the spin-fluctuation theory is the jump phase transition to the paramagnetic state. We eliminate the jump and obtain a continuous second-order…
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…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
We introduce a novel approach for the investigation of spin-wave excitations in itinerant ferromagnets. Our theory is based on a variational treatment of general multi-band Hubbard models which describe elements and compounds of transition…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…
We discuss the spin fluctuations and the role played by the magnetic susceptibility in an atomic Fermi gas interacting with positive scattering length. Both thermal and quantum fluctuations are considered. Using a sum rule approach and…
Transport properties of itinerant electrons interacting with local spins are analyzed as function of the bandwidth, $W$, the exchange interaction, $J$, and the band filling, $n$, near the band edge. Numerical results have been obtained…
Previous work on the physical content of exchange correlation functionals that depend on both charge and spin densities is extended to elemental transition metals and a wider range of perovskite transition metal oxides. A comparison of…
We present a refinement of the widely accepted spin-wave spectrum that Kalinikos and Slavin computed for magnetic films with an in-plane magnetization (1986). The spin wave spectrum that follows from the diagonal approximation in this…