相关论文: Interstitial Mn in (Ga,Mn)As: Binding energy and e…
The ab initio electronic structure calculations of the Ni$_{2}$MnGa The alloy indicate that the orthorhombic 4O structure exhibits the lowest energy compared to all known martensitic structures. The 4O structure is formed by nanotwin double…
Considering spin-orbit coupling, the tetragonal crystal-field, and all relevant superexchange processes including quantum interference, we derive expressions for the energy levels of the vanadium ions in tetragonal Sr2VO4. The used…
The p-n junction has provided the basis for the semiconductor-device industry. Investigations of p-n junctions based on Mott insulators is still in its infancy. Layered Mott insulators, such as the cuprates or other transition metal-oxides,…
We consider a mesoscopic mechanism of the exchange interaction in a system of alternating ferromagnetic/nonmagnetic metallic layers. In the case of small mesoscopic samples the sign and the amplitude of the exchange energy turn out to be…
We present calculations of magnetic exchange interactions and critical temperature T_c in Mn:GaAs, Cr:GaAs and Cr:GaN. The local spin density approximation is combined with a linear-response technique to map the magnetic energy onto a…
A new scheme to calculate the exchange tensor $\underline{\underline{J}}_{ij}$ describing in a phenomenological way the anisotropic exchange coupling of two moments in a magnetically ordered system is presented. The ab-initio approach is…
The properties of diluted Ga$_{1-x}$Mn$_x$As are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. M\"ulliken population analyses and orbital-resolved densities of…
Manganese nitrides should be with amazing properties and promised application, because manganese atom is particular for its magnetism, valence states, high electron density, etc., and N atoms in compounds form different substructures. It is…
We present results of tight-binding spin-dynamics simulations of individual and pairs of substitutional Mn impurities in GaAs. Our approach is based on the mixed quantum-classical scheme for spin dynamics, with coupled equations of motions…
Here we report on accurate ab initio calculations to study astrophysically important electromagnetic transition parameters among different low-lying states of Sn IV. Our ab initio calculations are based on the sophisticated relativistic…
In this paper we present a method to accurately compute the energy of the magnetostatic interaction between linearly (or uniformly, as a special case) magnetized polyhedrons. The method has applications in finite element micromagnetics, or…
Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in newly discovered multiferroic material MnI$_2$. The exchange interactions among local moments on Mn are…
The magnetic and transport properties of (GaMn)As are known to be influenced by postgrowth annealing, and it is generally accepted that these modifications are due to outdiffusion of Mn interstitials. We show that the annealing-induced…
We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the $Mn-Mn$ exchange interactions for $Ga_{1-x}Mn_xAs$ diluted semiconductors. For a 128 atoms supercell, we…
Density functional calculations are used to study magnetic and electronic properties of the spinel ferrites, ZnFe$_2$O$_4$ and MnFe$_2$O$_4$. Correct magnetic orderings are obtained. ZnFe$_2$O$_4$ is predicted to be a small gap insulator in…
The partial wave projection of the Nijmegen soft-core potential model for Meson-Pair-Exchange (MPE) for NN-scattering in momentum space is presented. Here, nucleon-nucleon momentum space MPE-potentials are NN-interactions where either one…
Using first-principles calculations, we study the occurrence of non-collinear magnetic order in monatomic Mn chains. First, we focus on freestanding Mn chains and demonstrate that they exhibit a pronounced non-collinear ground state in a…
Starting with a microscopic model based on the Kohn-Luttinger Hamiltonian and kinetic p-d exchange combined with Boltzmann formula for conductivity we identify the scattering from magnetic Mn combined with the strong spin-orbit interaction…
Using hybrid density functional theory, we address point defects susceptible to cause charge compensation upon Mg doping of GaN. We determine the free energy of formation of the nitrogen vacancy and of several Mg-related defects. The…
The radiative capture process n+p-> d+gamma provides clear evidence for meson exchange currents in nuclear physics. We compute this process at low energies using a recently developed power counting for the effective field theory that…