Half-metallic ferrimagnetism in the and alloys adopting the zincblende and wurtzite structures from first-principles

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Half-metallic ferrimagnetism in the [Sc1−xVx]C and [Sc1−xVx]Si alloys adopting the zinc-blende and wurtzite structures from first-principles

Employing first-principles calculations we study the structural, electronic and magnetic properties of the [Sc1−xVx]C and [Sc1−xVx]Si alloys. In their equilibrium rocksalt structure all alloys are non-magnetic. The zincblende and wurtzite structures are degenerated with respect to the total energy. For all concentrations the alloys in these lattice structures are half-metallic with the gap loca...

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ژورنال

عنوان ژورنال: Journal of Magnetism and Magnetic Materials

سال: 2010

ISSN: 0304-8853

DOI: 10.1016/j.jmmm.2009.08.021