Related papers: Second-order Perturbation Formula for Magnetocryst…
Magnetic anisotropy phenomena in bimetallic antiferromagnets Mn$_2$Au and MnIr are studied by first-principles density functional theory calculations. We find strong and lattice-parameter dependent magnetic anisotropies of the ground state…
The local magnetic anisotropy of a typical crystalline compound is usually attributed to the combined effect of crystal electric fields and spin-orbit coupling. We show that this simple local picture is transformed in heavy-fermion…
High perpendicular magnetic anisotropy (PMA), a property needed for nanoscale spintronic applications, is rare in oxide conductors. We report the observation of a PMA up to 0.23 MJ/m3 in modestly strained epitaxial NiCo2O4 (NCO) films which…
Magnetic anisotropy in an antiferromagnet (AFM) with inversion symmetry breaking (ISB) is investigated. The magnetic anisotropy energy (MAE) resulting from the Rashba spin-orbit and s-d type exchange interactions is determined for two…
We theoretically analyze the influence of chemical disorder on magnetic anisotropy in Ge_{1-x}Mn_{x}Te semiconductor layers known to exhibit carrier-induced ferromagnetism and ferroelectric distortion of rhombohedral crystal lattice. Using…
The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calculations give a basic understanding of the underlying physics…
Phenomena originated from spin-orbit interaction, such as magnetic anisotropy (MA), Rashba-type interactions, or topological insulators, have drawn huge attention for its intriguing physics. In particular, the search for a novel…
KO2 exhibits concomitant antiferromagnetic (AFM) and structural transitions, both of which originate from the open-shell 2p electrons of O$_{2}^{-}$ molecules. The structural transition is accompanied by the coherent tilting of O$_{2}^{-}$…
Here we report on a new effect similar to the spin reorientation transition (SRT) that takes place at two magnetic fields of $B_{SORT1}$ and $B_{SORT2}$. The effect is observed in the magnetization curves of small Mn$^{3+}$ magnetic…
Low-energy orbital magnetic dipole excitations, known as scissors mode (SM), are studied in alkali metal clusters. Subsequent dynamic and static effects are explored. The treatment is based on a self-consistent microscopic approach using…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
By combining first-principles electronic-structure calculations with the model Hamiltonian approach, we systematically study the magnetic properties of sodium superoxide (NaO2), originating from interacting superoxide molecules. We show…
Magneto-resistance is a physical effect of great fundamental and industrial interest since it is the basis for the magnetic field sensors used in computer read-heads and Magnetic Random Access Memories. As device dimensions are reduced,…
We analyze the interplay of spin-valley coupling, orbital physics and magnetic anisotropy taking place at single magnetic atoms adsorbed on semiconducting transition-metal dichalcogenides, MX$_2$ (M = Mo, W; X = S, Se). Orbital selection…
Single molecule magnets (SMMs) with single-ion anisotropies $\mathbf d$, comparable to exchange interactions J, between spins have recently been synthesized. In this paper, we provide theoretical insights into the magnetism of such systems.…
The correlation kinetic equation approach is developed that allows describing spin correlations in a material with hopping transport. The quantum nature of spin is taken into account. The approach is applied to the problem of the bipolaron…
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced density matrix (2RDM) of the multiplet, that is, of the mixed…
Computational design of more efficient rare earth/transition metal (RE-TM) permanent magnets requires accurately calculating the magnetocrystalline anisotropy (MCA) at finite temperature, since this property places an upper bound on the…
The angle-dependences of the magnetoresistance of two different isotopic substitutions (deuterated and undeuterated) of the layered organic superconductor \kappa-(ET)2Cu(NCS)2 are presented. The angle dependent magnetoresistance…
Including the orbital off-diagonal spin and charge condensates in the self consistent determination of magnetic order within a realistic three-orbital model for the $4d^4$ compound $\rm Ca_2 Ru O_4$, reveals a host of novel features…