Related papers: Electronic Structure and Bulk Spin Valve Behavior …
The laminar perovskite Ca3Ru2O7 naturally forms ferromagnetic double-layers of alternating moment directions, as in the spin-valve superlattices. The mechanism of huge magnetoresistive effect in the material has been controversial due to a…
The electronic structure and magnetic properties of a newly predicted stable ternary compound La$_{18}$Co$_{28}$Pb$_{3}$ are studied using electronic structure analysis. The ground state of this compound is ferromagnetic, with three…
We employ correlated density-functional theory methods (DFT + Hubbard $U$) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La$_{3}$Ni$_{2}$O$_{7}$ which becomes superconducting under pressure. We…
In this letter we describe the ground-state magnetic structure of the highly anisotropic helimagnet Cr$_{1/3}$NbS$_2$ in a magnetic field. A Heisenberg spin model with Dyzaloshinkii-Moriya interactions and magne- tocrystalline anisotropy…
We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent inter- actions at the metal-molecule interfaces.…
The electronic band structure of correlated Ca3Ru2O7 featuring an antiferromagnetic as well as a structural transition has been determined theoretically at high temperatures, which has led to the understanding of the remarkable properties…
We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO$_3$ in para, ferro, and $A$-, $C$-, and $G$-type antiferromagnetic states. Magnetic phase-diagram…
We consider charge transport properties in realistic, fabricable, Ferromagnet/Superconductor spin valves having a layered structure $F_1/N/F_2/S$, where $F_1$ and $F_2$ denote the ferromagnets, $S$ the superconductor, and $N$ the normal…
The $\nu=2/5$ state is spin-unpolarized at weak magnetic field and fully polarized at strong field. At intermediate field, a plateau of half the maximal polarization is observed. We study this phenomenon in the frame of composite fermion…
First principles density functional calculations for Fe$_{2}$O$_{3}$ has been performed over a wide range of pressures. The ground state is corundum-type hematite and is an antiferromagnetic insulator. This is in good agreement with…
The electronic structures of the metallic and insulating phases of Ca(2-x)Sr(x)RuO(4) (0<= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. For x=0 the ground state is an orbitally non-degenerate…
We present detailed calculations of the magnetic ground state properties of Cs$_2$CuCl$_4$ in an applied magnetic field, and compare our results with recent experiments. The material is described by a spin Hamiltonian, determined with…
Recently intrinsic ferromagnetism in two-dimensional(2D) van der Waals materials was discovered [1, 2, 3]. A monolayer of Chromiun triiodide(CrI3) is ferromagnetic while a bilayer structure was reported to be anti-ferro magnetic, moreover…
A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…
The electronic properties of two spinels Fe$_3$O$_4$ and Fe$_2$SiO$_4$ are studied by the density functional theory. The local Coulomb repulsion $U$ and the Hund's exchange $J$ between the $3d$ electrons on iron are included. For $U=0$,…
Understanding the role of spin-orbit coupling (SOC) has been crucial to controlling magnetic anisotropy in magnetic multilayer films. It has been shown that electronic structure can be altered via interface SOC by varying the superlattice…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
The magnetic properties and electronic structure of (K,Tl)y Fe1.6 Se2 is studied using first-principles calculations. The ground state is checkerboard antiferromagnetically coupled blocks of the minimal Fe4 squares, with a large block spin…
The ferroelectricity of the spiral magnets LiCu2O2 and LiCuVO4 was examined by calculating the electric polarizations of their spin spiral states on the basis of density functional theory with spin-orbit coupling. Our work unambiguously…
We present a computational study of antiferromagnetic transition in RuO$_2$. The rutile structure with the magnetic sublattices coupled by $\pi/2$-rotation leads to a spin-polarized band structure in the antiferromagnetic state, which gives…