Calculated electronic structures and Néel temperatures of half-metallic diluted antiferromagnetic semiconductors

J Phys Condens Matter. 2007 Sep 12;19(36):365226. doi: 10.1088/0953-8984/19/36/365226. Epub 2007 Aug 24.

Abstract

The possibility of half-metallic diluted antiferromagnetic semiconductors of II-VI compounds is investigated on the basis of first-principles electronic structure calculation. The electronic structures of ZnS, ZnSe, ZnO, CdS and CdSe doped with two kinds of 3d transition metal ions are calculated using the Korringa-Kohn-Rostoker (KKR) method and their magnetic transition temperatures are determined using a cluster-type approximation. It is predicted that II-VI compound semiconductors doped with two kinds of magnetic ions might be good candidates for half-metallic antiferromagnets.