相关论文: Orbital magnetism in transition-metal systems: The…

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic…

The theory of orbital magnetism in disordered metals is reviewed, and extended to include a broad range of temperatures and fields. Sample-to-sample fluctuations in the orbital magnetic susceptibility are studied. In a given sample these…

The magnets are typically classified into Stoner and Heisenberg type, depending on the itinerant or localized nature of the constituent magnetic moments. In this work, we investigate theoretically the behaviour of the magnetic moments of…

Using the fully-relativistic screened Korringa-Kohn-Rostoker method I study the orbital magnetism in the half-metallic Heusler alloys. Orbital moments are almost completely quenched and they are negligible with respect to the spin moments.…

In the present review different effects related to the orbital degrees of freedom are discussed. Leaving aside such aspects as the superexchange mechanism of the cooperative Jahn-Teller distortions and different properties of…

The effect of electronic correlations on the orbital magnetization in real materials has not been explored beyond a static mean-field level. Based on the dynamical mean-field theory, the effect of electronic correlations on the orbital…

We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…

The new challenges posed by the need of finding strong rare-earth free magnets demand methods that can predict magnetization and magnetocrystalline anisotropy energy (MAE). We argue that correlated electron effects, which are normally…

The orbital contribution to the magnetic moment of the transition metal ion in the isostructural weak ferromagnets ACO$_3$ (A=Mn,Co,Ni) and FeBO$_3$ was investigated by a combination of first-principles calculations, non-resonant x-ray…

The magnetic properties of transition-like metals are discussed within the single site approximation, which is a picture to take into account electron correlations. The metal is described by two hybridized bands one of which includes…

The magnetic response of strongly localized electrons to a time-dependent vector potential is considered. The orbital magnetic moment of the system, away from steady-state conditions, is obtained. The expression involves the tunneling and…

Among the ferromagnetic binary alloys, body centered cubic (bcc) Fe-Co is the one showing the highest magnetization. It is known experimentally that ordered Fe-Co structures show a larger magnetization than the random solid solutions with…

A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…

Ab initio calculation results for the electronic structure of disordered bcc Fe(x)Al(1-x) (0.4<x<0.75), Co(x)Al(1-x) and Ni(x)Al(1-x) (x=0.4; 0.5; 0.6) alloys near the 1:1 stoichiometry, as well as of the ordered B2 (FeAl, CoAl, NiAl)…

Occupation numbers of natural orbitals capture the physics of strong electron correlations in momentum space. A Natural Orbital Density Functional Theory based on the antisymmetrized geminal product provides these occupation numbers and the…

Modern theory of the orbital magnetization is applied to the series of insulating perovskite transition metal oxides (orthorhombic YTiO$_3$, LaMnO$_3$, and YVO$_3$, as well as monoclinic YVO$_3$), carrying a net ferromagnetic (FM) moment in…

We develop a self-consistent relativistic disordered local moment (RDLM) scheme aimed at describing finite temperature magnetism of itinerant metals from first principles. Our implementation in terms of the Korringa--Kohn--Rostoker multiple…

Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down…

Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently…

We use the exact correlation function of the density of energy levels in the magnetic field to evaluate persistent currents in mesoscopic metals. We also analyze the perturbation theory limit of the correlation function vis-a-vis the…