Search for half-metallic ferrimagnetism in V-based Heusler alloys Mn$_2$VZ (Z$=$Al, Ga, In, Si, Ge, Sn)

Details Search for half-metallic ferrimagnetism in V-based Heusler alloys Mn$_2$VZ (Z$=$Al, Ga, In, Si, Ge, Sn) Search for half-metallic ferrimagnetism in V-based Heusler alloys Mn$_2$VZ (Z$=$Al, Ga, In, Si, Ge, Sn)

2005-12-15

arxiv.org/abs/cond-mat/0512361v1

J. Phys.: Condens. Matter 18, 2905-2914 (2006)

Physics

Condensed Matter

Materials Science

11 pages, 5 figures

Scientific paper

10.1088/0953-8984/18/10/013

Using a state-of-the-art full-potential electronic structure method within the local spin density approximation, we study the electronic and magnetic structure of Mn$_2$V-based full Heusler alloys: Mn$_2$VZ (Z=Al, Ga, In, Si, Ge, and Sn). We show that small expansion of the calculated theoretical equilibrium lattice constants restores the half-metallic ferrimagnetism in these compounds. Moreover a small degree of disorder between the V and Z atoms, although iduces some states within the gap, it preserves the Slater-Pauling behaviour of the spin magnetic moments and the alloys keep a high degree of spin-polarisation at the Fermi level opening the way for a half-metallic compensated ferrimagnet.

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