2006/02/28 by L. Chioncel, Ph. Mavropoulos, M. Ležaić +4 · 1 citation
Materials Science · Physics and Astronomy · #Heusler alloys: electronic and magnetic properties #Surface and Thin Film Phenomena #ZnO doping and properties #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.96.197203
Published in Phys. Rev. Lett. 96, 197203 (2006)
arxiv created 2006/05/22 · arxiv updated 2009/12/01
The electronic structure of the VAs compound in the zinc-blende structure is investigated using a combined density-functional and dynamical mean-field theory approach. Contrary to predictions of a ferromagnetic semiconducting ground state obtained by density-functional calculations, dynamical correlations induce a closing of the gap and produce a half-metallic ferromagnetic state. These results emphasize the importance of dynamic correlations in materials suitable for spintronics.