Related papers: Anisotropy and Magnetism in the LSDA+U Method
Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+$U$ calculations to investigate the magnetic properties of…
Density functional theory (DFT), including its extensions designed to treat strongly correlated localized electron systems such as DFT+$U$ and DFT+dynamical mean field theory, has proven exceedingly useful in studying the magnetic…
We study local regularity properties of solutions to stationary anisotropic magnetic Schr\"odinger equations in $\mathbb{R}^d$, $d \ge 2$, arising from singular magnetic potentials concentrated along manifolds of general codimension $2 \le…
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 thermodynamics of a site-diluted ferromagnetic Heisenberg model for spin $S=1/2$ with interaction anisotropy in spin space is investigated. The study is aimed at presenting the magnetocaloric properties of such a model, including the…
We carry out a systematic theoretical investigation of Magneto Crystalline Anisotropy (MCA) of L10 FePt clusters with alternating Fe and Pt planes along the (001) direction. We calculate the structural relaxation and magnetic moment of each…
The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic…
Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interactions. In their earliest implementations, methods like…
The LSDA+U approach to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site…
The solution of the mean spherical approximation (MSA) integral equation for isotropic multicomponent dipolar hard sphere fluids without external fields is used to construct a density functional theory (DFT), which includes external fields,…
We investigate electronic and magnetic structures of the Mn chains supported on the CuN surface using first-principle LSDA and LDA+U calculations. The isotropic exchange integrals and anisotropic Dzyaloshinskii-Moriya interactions between…
Nd-Fe-B magnets are the most widely used high performance magnets in the world today, and remain the subject of both experimental and computational research aimed at understanding and optimizing them. Atomistic spin dynamics (ASD) is one…
The magnetization of anisotropic quantum dots in the presence of the Rashba spin-orbit interaction has been studied for three interacting electrons in the dot. We observe unique behaviors of magnetization that are direct reflections of the…
We re-examine the commonly used density functional theory plus Hubbard \textit{U} (DFT$+U$) method for the case of non-collinear magnets. While many studies neglect to explicitly include the exchange correction parameter \textit{J}, or…
Probing magnetic fields in the interstellar medium (ISM) is notoriously challenging. Motivated by the modern theories of magnetohydrodynamic (MHD) turbulence and turbulence anisotropy, we introduce the Structure-Function Analysis (SFA) as a…
Effects associated with the interference of electron waves around a magnetic point defect in two-dimensional electron gas with combined Rashba-Dresselhaus spin-orbit interaction in the presence of a parallel magnetic field are theoretically…
We propose a magnetic analogy of the Duffing oscillator--magnetic Duffing oscillator--which is characterized by a double-well magnetic potential of a ferromagnet with a uniaxial magnetic anisotropy. Based on the linear stability analysis of…
Spins in molecular magnets can experience both anisotropic exchange interactions and on-site magnetic anisotropy. In this paper we study the effect of exchange anisotropy on the molecular magnetic anisotropy both with and without on-site…
The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations (LSDA+$U$) included. We show that the inclusion of Coulomb…
The effect of dipolar interaction and local uniaxial anisotropy on the magnetic response of small spin clusters where spins are located on the vertices of icosahedron, cuboctahedron, tetrahedron and square geometry have been investigated.…