Half-metallicity and stability of ferromagnetism in (Fe 1-xCox)2CrZ (Z = s, p elements)

Abstract

The half-metallicity and the stability of the ferromagnetic state have been investigated in the Heusler type alloys (Fe1-xCox) 2CrZ (Z = s, p elements). If only the ferromagnetic state is assumed as the magnetic state of Fe2CrZ, the half-metallicity tends to appear easily as the total number of the valence electrons and the lattice constant decrease. Taking the paramagnetic and the antiferromagnetic state into account, it is predicted that Fe2CrSi and Fe2CrP may be half-metals among Fe2CrZ. However, if the Co atoms are partially substituted for the Fe atoms in Fe2CrZ (Z = Al, Si, P, Ge, Sn), the ferromagnetic state tends to become more stable as the Co composition increases, without losing the half-metallicity, These results suggest that partial substitution of the Co atoms for the Fe atoms is effective in improving the properties as spintronic materials in Fe2CrZ. © 2007 The Japan Institute of Metals.