相关论文: Surface magnetism of Rh(001) from LDA+U calculatio…
The Augmented Space Formalism coupled with Recursion method and Density Functional Theory based Tight-Binding Linear Muffin-Tin Orbitals have been applied for a first principles calculation of surface electronic and magnetic properties of…
In a very recent x-ray magnetic circular dichroism experiment concerning with Ru and Rh impurities and metal films on Ag(001) substrate, no local magnetic momen ts were displayed in direct contradiction with previous theoretical works. It…
Recently, there has been an increased interest in first-principles calculations of the actinides as well as in finding the new materials which display surface magnetism. We predict the existence of a magnetic moment on the uranium (001)…
The significant discrepancy between first-principles calculations and experimental analyses for the relaxation of the (001) surface of rhodium has been a puzzle for some years. In this paper we present density functional theory calculations…
The orbital and spin magnetic moments, and the X-ray-magnetic circular-dichroism (XMCD) spectra at the $M_{4,5}$ edges of the U atoms in a UAs/Co multilayer and in an $\alpha$-U film are calculated within the framework of the…
The magnetism of quench-condensed Ru and Rh impurities and metal films on Ag(100) and Pt(997) has been studied using x-ray magnetic circular dichroism. In the coverage range between 0.22 ML and 2.0 ML no dichroic signal was detected at the…
Experimental evidence both for and against a half-metallic ground-state of the Heusler compound Co2FeSi has been published. Density functional theory based calculations suggest a non half-metallic ground state. It has been argued, that…
We examine the mystery of the disputed high-magnetization \alpha"-Fe16N2 phase, employing the Heyd-Scuseria-Ernzerhof screened hybrid functional method, perturbative many-body corrections through the GW approximation, and onsite Coulomb…
After a brief historical introduction, we dwell on two recent experiments in the low-temperature, monoclinic phase of V$_2$O$_3$: K-edge resonant x-ray scattering and non-reciprocal linear dichroism, whose interpretations are in conflict,…
Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The…
The augmented space formalism coupled with the recursion method and a tight-binding linear Muffin-tin orbitals basis has been applied to study the effects of roughness on the properties of (001) surfaces of body-centered cubic Fe and…
SQUID magnetometry and polarised neutron reflectivity measurements have been employed to characterise the magnetic properties of U/Fe, U/Co and U/Gd multilayers. The field dependence of the magnetisation was measured at 10K in magnetic…
The metallic oxide RuO$_2$ hosts a fascinating edge case of magnetism: while nonmagnetic in ideal bulk material, density functional theory (DFT) predicts an altermagnetic ground state within the DFT$+U$ method. The magnetic state of…
We present evidence that the detection of surface magnetism without the application of an external magnetic field is possible by studying the x-ray emission of highly charged ions interacting at grazing incidence with the sample. Measuring…
The signature of magnetism without a ferromagnet in a non-magnetic heterostructure is novel as well as fascinating from fundamental research point of view. It has been shown by Al'Mari et al: that magnetism can be induced at the interface…
Fluorine adatoms on graphene induce local changes in electronic and magnetic properties, and subtle correlation effects. We investigate the GGA and GGA+U approaches as possible solutions to describe the magnetic moment and electronic band…
We give experimental and theoretical evidence of the Rashba effect at the magnetic rare-earth metal surface Gd(0001). The Rashba effect is substantially enhanced and the Rashba parameter changes its sign when a metal-oxide surface layer is…
Magnetism of FeRh (001) films strongly depends on film thickness and surface terminations. While magnetic ground state of bulk FeRh is G-type antiferromagnetism, the Rh-terminated films exhibit ferromagnetism with strong perpendicular MCA…
We report direct experimental evidence showing induced magnetic moments on Ge at the interface in an Fe/Ge system. Details of the x-ray magnetic circular dichroism and resonant magnetic scattering at the Ge L edge demonstrate the presence…
We use the local density approximation (LDA) and LDA+U schemes to study the magnetism of (GaMn)As and (GaMn)N for a number of Mn concentrations and varying number of holes. We show that for both systems and both calculational schemes the…