Half-Metallic Ferrimagnetism in Mn_2VAl

Ruben Weht; Warren E. Pickett

doi:10.1103/PhysRevB.60.13006

Half-Metallic Ferrimagnetism in Mn_2VAl

Materials Science 2009-10-31 v2

Authors: Ruben Weht , Warren E. Pickett

View on arXiv ↗ PDF ↗ DOI ↗

Abstract

We show that Mn_2VAl is a compound for which the generalized gradient approximation (GGA) to the exchange-correlation functional in density functional theory makes a qualitative change in predicted behavior compared to the usual local density approximation (LDA). Application of GGA leads to prediction of Mn_2VAl being a half-metallic ferrimagnet, with the minority channel being the conducting one. The electronic and magnetic structure is analyzed and contrasted with the isostructural enhanced semimetal Fe_2VAl.

Keywords

magnetocaloric effect density functional theory and electronic structure

Cite

@article{arxiv.cond-mat/9901253,
  title  = {Half-Metallic Ferrimagnetism in Mn_2VAl},
  author = {Ruben Weht and Warren E. Pickett},
  journal= {arXiv preprint arXiv:cond-mat/9901253},
  year   = {2009}
}

Comments

5 pages, Latex, 6 postscript figures. Description and figures of the (minority) Fermi surfaces have been added

Related papers

View all related →