Related papers: Spin spirals in ordered and disordered solids
We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…
The alkali hyperoxide KO$_2$ is a molecular analog of strongly-correlated systems, comprising of orbitally degenerate magnetic O$_2^-$ ions. Using first-principles electronic structure calculations, we set up an effective spin-orbital model…
Electronic structures of MC where M is the alkali and alkaline earth metals with the rocksalt structure are calculated by full potential density functional codes. We find that the spin magnetic moment in the compounds is mainly contributed…
We present neutron diffraction analysis of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ over a wide temperature (10 to 300 K) and compositional ($0.11 \leq x \leq 0.79$) range, including the normal state, the magnetically ordered state, and the…
We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities…
We investigate magnetic properties induced by a spinless impurity in strongly correlated electron systems, i.e. the Hubbard model in the spatial dimension $D=1,2,$ and 3. For the 1D system exploiting the Bethe ansatz exact solution we find…
High-entropy spinel oxides provide an excellent platform for investigating entropy-stabilized correlated systems with strong configurational disorder. In this work, we systematically study the temperature evolution of the structural and…
A spin dynamics approach has been used to study the behavior of the magnetic spins and the electric pseudo-spins in a 1-D composite multiferroic chain with a linear magneto-electric coupling at the interface. The response is investigated…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
A novel, general Green's function technique for elastic spin-dependent transport calculations is presented, which (i) scales linearly with system size and (ii) allows straightforward application to general tight-binding Hamiltonians (spd in…
Experimental results on magnetic resonance (ESR) and magnetic susceptibility are given for single crystalline (VO)$_2$P$_2$O$_{7}$. The crystal growth procedure is briefly discussed. The susceptibility is interpreted numerically using a…
We apply variational principles from statistical physics and the Landau theory of phase transitions to multicomponent alloys using the multiple-scattering theory of Korringa-Kohn-Rostoker (KKR) and the coherent potential approximation…
Using quantum mechanical perturbation theory (PT) we analyze how the energy of perturbation of different orders is renormalized in solids. We test the validity of PT analysis by considering a specific case of spin-orbit coupling as a…
The angular dependence of spin-orbit torque in a disordered Co/Pt bilayer is calculated using a first-principles non-equilibrium Green's function formalism with an explicit supercell averaging over Anderson disorder. In addition to the…
We present an ab initio theoretical formalism for the static paramagnetic spin susceptibility of metals at finite temperatures. Since relativistic effects, e.g. spin-orbit coupling, are included, we can identify the anisotropy or easy axes…
Electronic structure calculations, using the charge and spin self-consistent Korringa- Kohn-Rostoker (KKR) method, have been performed for several $R$Mn$X$ compounds ($R$ = Mg, Ca, Sr, Ba, Y; $X$ = Si, Ge) of the CeFeSi-type structure. The…
A fully relativistic description of the spin-orbit induced spin Hall effect is presented that is based on Kubo's linear response formalism. Using an appropriate operator for the spin current density a Kubo-St\v{r}eda-like equation for the…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
We compute the electron spin susceptibility in the pseudogap regime of the two-dimensional Hubbard model in the framework of a SU(2) gauge theory of fluctuating magnetic order. The electrons are fractionalized in fermionic chargons with a…