The Influence of Exchange Correlation Effects on the Stabilization of the Half-Metallic Properties of Mn2VAl and Mn2VSi Alloys

Abstract

Theoretical studies of the role of exchange correlation effects in the prediction of the half-metallic properties of ferrimagnetic Mn2VAl and Mn2VSi Heusler alloys, which are of interest in spintronics, are pre-sented. Electronic, magnetic, and structural properties are studied within the framework of density functional theory. It is shown that the correction for additional correlation effects makes it possible to reveal two states, which are close to each other in energy, but have different magnetic moments. The state with a low magneti-zation demonstrates a half-metallic character with 100% spin polarization, whereas the state with a high mag-netization has a metallic character.