Soft x-ray absorption spectra and their x-ray magnetic circular dichroism (XMCD) have been theoretically studied at the transition-metal $L_{2,3}$ thresholds of the Heusler-type ${\text{Fe}}_{2-x}{\text{V}}_{1+x}\text{Al}$. The electronic structure of ${\text{Fe}}_{2-x}{\text{V}}_{1+x}\text{Al}$ upon changing the content $x$ was theoretically investigated from first principles by using the fully relativistic Dirac linear-muffin-tin-orbital band structure method and the scalar relativistic Korringa–Kohn–Rostoker method within the coherent potential approximation generalized to treat disorder in multicomponent complex alloys. Densities of valence states and spin and orbital magnetic moments are analyzed and discussed. The origin of the XMCD spectra in the ${\text{Fe}}_{2-x}{\text{V}}_{1+x}\text{Al}$ compound is examined. The calculated results are compared to the experimental data.

• Received 11 July 2007

DOI:https://doi.org/10.1103/PhysRevB.77.134444