Related papers: Spin spirals in ordered and disordered solids
Magnetic properties of a $\sigma-$Fe$_{16}$Cr$_{14}$ alloy calculated with the charge and spin self- consistent Korringa-Kohn-Rostoker (KKR) and combined with coherent potential approximation (KKR-CPA) methods are reported. Non-magnetic…
Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker (KKR)…
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…
A combined experimental, using X-ray Magnetic Circular Dichroism and theoretical investigation, using full-potential Korringa-Kohn-Rostoker (KKR) Green function method, is carried out to study the spin structure of small magnetic Cr…
Within the Kubo-Greenwood formalism we use the fully relativistic, spin-polarized, screened Korringa-Kohn-Rostoker method together with the coherent-potential approximation for layered systems to calculate the resistivity for the permalloy…
In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…
We describe our theoretical formalism and computational scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is Time-Dependent Density Functional…
We introduce the Korringa-Kohn-Rostocker non-local coherent potential approximation (KKR-NLCPA) for describing the electronic structure of disordered systems. The KKR-NLCPA systematically provides a hierarchy of improvements upon the widely…
Spin states of two-dimensional Wigner clusters are considered at low temperatures, when all electrons are in ground coordinate states. The spin subsystem behavior is determined by antiferromagnetic exchange integrals. The spin states in…
Spin coupling between magnetic metal atoms and organic radicals plays a pivotal role in high-performance magnetic materials. The complex interaction involving multi-spin centers in bulk materials makes it challenging to study spin coupling…
The entropy stabilized oxide Mg$_{0.2}$Co$_{0.2}$Ni$_{0.2}$Cu$_{0.2}$Zn$_{0.2}$O exhibits antiferromagnetic order and magnetic excitations, as revealed by recent neutron scattering experiments. This observation raises the question of the…
We study weakly coupled antiferromagnetic spin chains in their ordered phase by combinining an exact solution of the single-chain problem with an RPA analysis of the interchain interaction. A single chain is described by a quantum…
An averaging procedure is proposed to account for spectral features of correlated one-dimensional systems in the presence of non-magnetic impurities. The dynamical spin structure factor for a corresponding random ensemble of Heisenberg…
Spin-polarization is known to lead to important {\it magnetic} and {\it optical} effects in open-shell atoms and elemental solids, but has rarely been implicated in controlling {\it structural} selectivity in compounds and alloys. Here we…
The engineered spin structures recently built and measured in scanning tunneling microscope experiments are calculated using density functional theory. By determining the precise local structure around the surface impurities, we find the Mn…
We investigate interacting spin susceptibilities in lattice models for $\mathcal{T}$-reversal symmetry-broken Weyl semimetals. We employ a random phase approximation (RPA) method for the spin-SU(2)-symmetry-broken case that includes…
The spin structure of the nucleon is analyzed in the framework of a Lorentz-invariant formulation of baryon chiral perturbation theory. The structure functions of doubly virtual Compton scattering are calculated to one-loop accuracy (fourth…
We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe$_{1-x}$Ni$_x$ alloy from a first principles. Calculated uniform magnetic susceptibilities have a…
Frustrated magnetism plays a central role in the phenomenology of exotic quantum states. However, because the magnetic structures of frustrated systems are aperiodic, there has always been the problem that they cannot be determined using…
Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy. We present a first-principles method for the calculation of inelastic…