Half-Metallic Ferrimagnetism in Mn_2VAl

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.

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

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