Related papers: First Principles Study of the Giant Magnetic Aniso…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
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…
A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe$_{12}$N, is a material that goes beyond today's champion magnet compound Nd$_{2}$Fe$_{14}$B in its intrinsic…
An orthorhombic compound, NaMnSbO4, represents a square net of magnetic Mn2+ ions residing in vertex-shared oxygen octahedra. Its static and dynamic magnetic properties were studied using magnetic susceptibility, specific heat,…
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown…
Based on first-principles calculation, it has been predicted that the magnetic anisotropy energy (MAE) in Co-doped ZnO (Co:ZnO) depends on electron-filling. Results show that the charge neutral Co:ZnO presents a "easy plane" magnetic state.…
The interplay of strong single-ion anisotropy and magnetic interactions often give rise to novel magnetic behavior and can provide additional routes for controlling magnetization dynamics. However, novel effects arising from interactions…
Two-dimensional (2D) ferromagnets have been a fascinating subject of research, and magnetic anisotropy (MA) is indispensable for stabilizing the 2D magnetic order. Here, we investigate magnetic anisotropy energy (MAE), magnetic and…
In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…
We study the magnetic interactions in atomic layers of Fe and 5d transition-metals such as Os, Ir, and Pt on the (001) surface of Rh using first-principles calculations based on density functional theory. For both stackings of the 5d-Fe…
We report a comprehensive experimental investigation on the magnetic anisotropy in bulk single crystals of Cr$_2$Ge$_2$Te$_6$, a quasi-two-dimensional ferromagnet belonging to the family of magnetic layered transition metal trichalcogenides…
Sr2IrO4 is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr2RhO4 is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong…
Uniaxially strained Fe--Co disordered alloys have emerged as promising candidates for cost-effective rare-earth-free permanent magnets due to their high magnetocrystalline anisotropy energy (MAE). Using first-principles, fully relativistic…
Using density functional theory (DFT), we calculate the magnetic short-ranged exchange forces between a magnetic tip and an adatom adsorbed on the antiferromagnetic Mn monolayer on the W(110) surface [Mn/W(110)]. These exchange forces can…
We have constructed an analytic formula to treat the perpendicular magnetic anisotropy energy in ferromagnetic metals with low symmetry, such as C4V and C3V. We find that the anisotropy energy is proportional to a part of the expectation…
Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage, i.e. for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the…
We study here, both experimentally and theoretically, the anisotropy of magnetoresistance in atomic contacts. Our measurements on iron break junctions reveal an abrupt and hysteretic switch between two conductance levels when a large…
Complex oxides with $4d$ and $5d$ transition-metal ions recently emerged as a new paradigm in correlated electron physics, due to the interplay between spin-orbit coupling and electron interactions. For $4d$ and $5d$ ions, the spin-orbit…
We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…
Inelastic neutron scattering on the spin-chain compound Sr$_3$NiIrO$_6$ reveals gapped quasi-1D magnetic excitations. The observed one-magnon band between 29.5 and 39 meV consists of two dispersive modes. The spin wave spectrum could be…