Related papers: Magnetism in Exact Exchange Density Functional The…
Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…
We investigated the magnetic properties of Sendust (Fe-Al-Si) alloys not only at 0 K but also at finite-temperatures by means of the first-principles calculations assuming A2, B2, and DO3 structures. We confirmed that the itinerant…
This work analyzes the behavior of the interface between a ferromagnetic material and an alter-magnet. We use a well-established line of arguments based on electronic mean-field calculations to show that new surface phenomena that lead to…
Magnetic 2D materials have achieved significantly consideration owing to their encouraging applications. A variation of these 2D materials by occurrence of defects, by the transition-metal doping or adsorption or by the surface…
Weyl semimetals exhibit exceptional quantum electronic transport due to the presence of topologically-protected band crossings called Weyl nodes. The nodes come in pairs with opposite chirality, but their number and location in momentum…
The electronic structure and magnetism of chromia (corundum-type Cr2O3) are studied using full-potential first-principles calculations. The electronic correlations are included within the LSDA+U method. The energies of different magnetic…
We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using the susceptibilities obtained within the ladder…
Inter-band effects of magnetic field on orbital magnetic susceptibility and Hall effect in weak magnetic field have been studied theoretically at absolute zero for the model of massless Fermions in two dimension described by Weyl equation…
Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the density. Hybrid functionals incorporate some amount of exact…
We investigate the magnetic properties of TaAs, a prototype Weyl semimetal. TaAs crystals show weak diamagnetism with magnetic susceptibility of about -7 * 10^{-7} emu/(g*Oe) at 5 K. A general feature is the appearance of a minimum at…
Theory and recent experiments concerning exchange-driven magnetic excitation (EDME) are reviewed. This phenomenon employs the exchange field produced by a narrowly distributed spin-polarized electron current to excite Larmor precession in a…
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…
An efficient method to compute magnetic exchange interactions in systems with strong correlations is introduced. It is based on a magnetic force theorem which evaluates linear response due to rotations of magnetic moments and uses a novel…
Element specific ultrafast demagnetization was studied in Fe$_{1-x}$Ni$_{x}$ alloys, covering the concentration range between $0.1<x<0.9$. For all compositions, we observe a delay in the onset of Ni demagnetization relative to the Fe…
Ferrimagnetic alloys are extensively studied for their unique magnetic properties leading to possible applications in perpendicular magnetic recording, due to their deterministic ultrafast switching and heat assisted magnetic recording…
We present the results of a variational Monte Carlo calculation of the exchange-correlation energy for a spin-polarized two-dimensional electron gas in a perpendicular magnetic field. These energies are a necessary input to the recently…
Linear magnetoelectric effect is an attractive phenomenon in condensed matters and provides indispensable technological functionalities. Here a colossal linear magnetoelectric effect with diagonal component alfa_33 reaching up to ~480 ps/m…
Interfacial magnetism stimulates the discovery of giant magnetoresistance and spin-orbital coupling across the heterointerfaces, facilitating the intimate correlation between spin transport and complex magnetic structures. Over decades,…
We have investigated the magnetic properties of Fe, Co, and Ni at finite temperatures on the basis of the first-principles dynamical coherent potential approximation (CPA) in order to clarify the role of the exchange interaction energy…
First principles density functional theory based calculations have been carried out to predict the effects of Mn replacement by Fe and Cr on electronic as well as magnetic properties of Pt$_{2}$MnGa as well as Ni$_{2}$MnGa. All the…