Related papers: Anisotropy and Magnetism in the LSDA+U Method
Magnetic anisotropy controls the orientational stability and switching properties of magnetic states, and therefore plays a central role in spintronics. First-principles density-functional-theory calculations are able, in most cases, to…
The nature of the interaction between ultracold atoms with a large orbital and spin angular momentum has attracted considerable attention. It was suggested that such interactions can lead to the realization of exotic states of highly…
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…
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…
Single-ion magnetic anisotropy in molecular magnets leads to spin flip excitations that can be measured by inelastic scanning tunneling microscope (STM) spectroscopy. Here I present a semi ab initio scheme to compute the spectral features…
The electronic structure of the monoclinic structure of Fe$_3$O$_4$ is studied using both the local density approximation (LDA) and the LDA+$U$. The LDA gives only a small charge disproportionation, thus excluding that the structural…
The effect of the canting of local anisotropy axes on the ground-state phase diagram and magnetization of a ferrimagnetic chain with regularly alternating Ising and Heisenberg spins is exactly examined in an arbitrarily oriented magnetic…
Charge density functional plus $U$ calculations are carried out to examine the validity of molecular $J_\text{eff}$=1/2 and 3/2 state in lacunar spinel GaM$_4$X$_8$ (M = Nb, Mo, Ta, and W). With LDA (spin-unpolarized local density…
Magnetic tunnel junction-based molecular spintronics devices (MTJMSDs) are designed by covalently connecting the paramagnetic molecules across two ferromagnets (FM) electrodes of a magnetic tunnel junction (MTJ). MTJMSD provides…
31^P NMR spectral features in polycrystalline SmCoPO reveal an axially symmetric local magnetic field. At low temperature, the anisotropy of the internal magnetic field increases rapidly, with K_ab increasing faster than that of K_c. The…
A first-principles electronic structure study of orthorhombic, monoclinic and rhombohedral LiMnO$_{2}$ has been carried out using the full-potential linearized augmented plane-wave method. The exchange and correlations have been treated…
Even though it has been known for decades that the magnetocrystalline anisotropy is linked to the spin-orbit coupling (SOC), the mechanism how it arises for specific systems is still subject of debate. We focused on finding markers of SOC…
We study the interplay of the Kondo effect and spin-polarized tunneling in a class of systems exhibiting uniaxial magnetic anisotropy, such as magnetic molecules, magnetic adatoms, or quantum dots coupled to a single localized magnetic…
The reorientation of the magnetization of a ferromagnetic monolayer is calculated with the help of many-body Green's function theory. This allows, in contrast to other spin wave theories, a satisfactory calculation of magnetic properties…
We investigate the effects of an in-plane magnetic field on the weak antilocalization signature of near-surface quantum wells lacking bulk and inversion symmetry. The measured magnetoconductivity exhibits a strong anisotropy with respect to…
Antiferromagnets (AFM) with a nonrelativistic spin splitting (NSS) of electronic bands expand the range of spin-dependent phenomena and their applications. A crucial understanding for both of them pertains to the inherent spin dynamics. We…
The internal energies, including transverse and longitudinal parts, of quantum Heisenberg systems for arbitrary spin S are investigated by the double-time Green's function method. The expressions for ferromagnetic (FM) and antiferromagnetic…
g-factor tuning of electrons in quantum dots is studied as function of in-plane and perpendicular magnetic fields for different confinements. Rashba and Dresselhaus effects are considered, and comparison is made between wide- and narrow-gap…
We present a computational study of individual and pairs of substitutional Mn impurities on the (110) surface of GaAs samples based on density functional theory. We focus on the anisotropy properties of these magnetic centers and their…
In 3d-electron magnetic systems, the magnetic structures that transform each other by spin rotation have very close degenerate energies due to small spin-orbit coupling and can be easily controlled by chemical substitution and external…