相关论文: First-principles study of magnetic interactions in…
Because of large spatial separation of the Mn atoms in Heusler alloys the Mn 3d states belonging to different atoms do not overlap considerably. Therefore an indirect exchange interaction between Mn atoms should play a crucial role in the…
Magnetic exchange interactions (MEIs) in kagome magnets exhibit rich features due to the interplay of charge, spin, orbital and lattice degrees of freedom, giving rise to a variety of exotic quantum states. Through first-principles…
The problem of weak ferromagnetism in antiferromagnets due to canting of magnetic moments was treated using Green's function technique. At first the eigenvalues and eigenfunctions of the electronic Hamiltonian corresponding to collinear…
We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…
One initial and essential question of magnetism is whether the magnetic properties of a material are governed by localized moments or itinerant electrons. Here we expose the case for the weakly ferromagnetic system FeGa$_{3-y}$Ge$_y$…
The magnetic properties of the $Fe_{1-x}Ru_x$ alloy system for 0 $\leq$ x $\leq$ 0.10 are studied by using a mean-field approximation based on the Bogoliubov inequality. Ferromagnetic Fe-Fe spin correlations and antiferromagnetic Fe-Ru and…
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…
The internal energies, including transverse and longitudinal parts, of quantum Heisenberg systems for arbitrary spin S are investigated by the double-time Green's function method. The expressions for ferromagnetic (FM) and antiferromagnetic…
After the discovery of the phenomena of light-induced excited spin state trapping (LIESST), the functional properties of metal complexes have been studied intensively. Among them, cooperative phenomena involving low spin-high spin…
We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…
Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…
The magnetic force theorem provides convenient ways to study exchange interactions in magnetic systems. However, it is well known that short range interactions in itinerant magnetic systems are poorly described with the conventional use of…
It is assumed that U atoms in $UGe_2$ have a number of $f$ electrons appropriate to give them each a spin $s=1$ as well as one extra itinerant electron which may equally well be on one or other U atom. The dynamical degrees of freedom are…
The Ce$_2$Fe$_{17}$ intermetallic compound has been studied intensely for several decades; its low-temperature state is reported experimentally either as ferromagnetic or antiferromagnetic by different authors, with a measured ordering…
Thermodynamic properties and elementary excitations in $S=1/2$ one-dimensional Heisenberg antiferromagnet KCuGaF$_6$ were investigated by magnetic susceptibility, specific heat and ESR measurements. Due to the Dzyaloshinsky-Moriya…
The influence of substitutional disorder on the magnetic properties of disordered Heisenberg binary spin systems with long-range exchange integrals is studied. The equation of motion for the magnon Green's function which is decoupled by the…
The electronic structure and magnetic exchange interactions in pure and V-doped Fe16N2 are studied within the framework of density functional theory. The Curie temperatures were obtained with both mean field approximation (MFA) as well as…
We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary…
Systematic experimental (vibrating sample magnetometry) and theoretical (electronic structure calculations using charge and spin self-consistent Korringa-Kohn-Rostoker Green function method) studies were performed on a series of…