Search for half-metallic ferrimagnetism in V-based heusler alloys Mn(2)VZ (Z = Al, Ga, In, Si, Ge, Sn)


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Ozdogan K. , Galanakis I., Sasioglu E., Atkas B.

JOURNAL OF PHYSICS-CONDENSED MATTER, vol.18, no.10, pp.2905-2914, 2006 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 18 Issue: 10
  • Publication Date: 2006
  • Doi Number: 10.1088/0953-8984/18/10/013
  • Title of Journal : JOURNAL OF PHYSICS-CONDENSED MATTER
  • Page Numbers: pp.2905-2914

Abstract

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 Mn2V-based full Hensler 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 it induces some states within the gap, preserves the Slater-Pauling behaviour of the spin magnetic moments and the alloys keep a high degree of spin polarization at the Fermi level, opening the way for a half-metallic compensated ferrimagnet.