This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

This contribution reviews an ab initio two-step procedure to determine exchange
interactions, spin-wave spectra, and thermodynamic properties of itinerant magnets. In the …

In this paper, we review some of the key concepts in ultrathin film magnetism which underpin
nanomagnetism. We survey the results of recent experimental and theoretical studies of well …

We have calculated Heisenberg exchange parameters for bcc Fe, fcc Co, and fcc Ni using
the nonrelativistic spin-polarized Green-function technique within the tight-binding linear …

Self-consistent periodic density functional theory calculations (GGA-PW91) have been
performed to study the adsorption of O and O2 and the dissociation of O2 on the (111) facets …

This paper summarises the theory and functionality behind Questaal, an open-source suite
of codes for calculating the electronic structure and related properties of materials from first …

The determination of collective spin excitations and their contribution to the intrinsic
resistivity via spin-flip electronic scattering are addressed for 3 d ferromagnets using …

We report a theoretical and experimental investigation of Cr-doped AlN. Density functional
calculations predict that the isolated Cr t 2 defect level in AlN is 1/3 full, falls approximately at …

Density-functional studies of the electronic structures and exchange interaction parameters
have been performed for a series of ferromagnetic full Heusler alloys of general formula Co …

One-dimensional Co atomic wires grown on Pt (997) have been investigated by x-ray
magnetic circular dichroism. Strong changes of the magnetic properties are observed as the …