相关论文: Spin Spirals in Surface Alloys on Ru(0001): A Firs…

Magnetic and electronic structures in LaFeAsO in the single-stripe-type antiferromagnetic (AFM) phase are studied using first-principles density-functional calculations including the spin-orbit interaction. We show that the longitudinal…

Frustrated interactions in the Cu-based mineral rouaite with alternating antiferromagnetic and ferromagnetic spin chains, Cu$_2$(OH)$_3$NO$_3$, introduce non-trivial magnetic ground states and exotic excitations arising from them. We…

We present a theoretical investigation of the magnetic and thermodynamic properties of the triangular spin-1/2 cluster with Dzyaloshinskii-Moriya (DM) interaction, described by a spin-1/2 Heisenberg Hamiltonian with antisymmetric exchange…

The cause for the preferred spin orientation in magnetic systems containing spin-1/2 transition-metal ions was explored by studying the origin of the easy-plane anisotropy of the spin-1/2 Cu2+ ions in CuCl2.2H2O, LiCuVO4, CuCl2 and CuBr2 on…

We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin plays a critical role for even the most basic properties of…

The magnetic properties of monolayer FeSe films are investigated via first-principles spin-spiral calculations. Although the (pi,pi) collinear antiferromagnetic (CL-AFM) mode is lowest in energy, the spin-wave energy E(q) - which exhibits…

We investigate the chiral magnetic order in free-standing planar 3$d$-5$d$ bi-atomic metallic chains (3$d$: Fe, Co; 5$d$: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric…

An enhancement of the spin-orbit effects arising on an interface between a ferromagnet (FM) and a heavy metal (HM) is possible through the strong breaking of the structural inversion symmetry in the layered films. Here we show that the…

The structural and magnetic anomaly of the layered compound SrFeO$_{2}$ were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin Fe 3$d$ electron occupies the $d_{z^2}$ level rather than…

The compound Ba3HoRu2O9 magnetically orders at 50 K (TN1) followed by another complex magnetic ordering at 10.2 K (TN2). The 2nd magnetic phase transition was characterized by the co-existence of two competing magnetic ground states…

We investigate the magnetic properties of the multiferroic quantum-spin system LiCu$_2$O$_2$ by electron spin resonance (ESR) measurements at $X$- and $Q$-band frequencies in a wide temperature range $(T_{\rm N1} \leq T \leq 300$\,K). The…

We study the spin-orbit torques (SOTs) in Co/Cu/Co magnetic trilayers based on first-principles density-functional theory calculations in the case where the applied electric field lies in-plane, i.e., parallel to the interfaces. We assume…

We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…

We present ab-initio calculations of the magnetic moments and magnetic anisotropy energies of small FeCo clusters of varying composition on top of a Cu(100) substrate. Three different cluster layouts have been considered, namely 2x2, 3x3…

We present theoretical studies of the influence of spin orbit coupling on the spin wave excitations of the Fe monolayer and bilayer on the W(110) surface. The Dzyaloshinskii-Moriya interaction is active in such films, by virtue of the…

First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…

In contrast to conventional assumptions, we show that the Dzyaloshinskii-Moriya interaction can be of non-relativistic origin, in particular in materials with a non-collinear magnetic configuration, where non-relativistic contributions can…

By means of self-consistent semi-empirical LCAO calculations we study the itinerant magnetism of (Fe_{0.65}Ni_{0.35})_{1-y} Mn_y alloys for y between 0 and 0.22 at T=0 K, neglecting only the transverse spin components. We find that the…

We use first-principles calculations based on density functional theory to study how the magnetic properties of an Fe monolayer on a W(001) surface -- exhibiting a $c(2 \times 2)$ antiferromagnetic ground state -- can be modified by an…

We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…