Predicted half-metallicity with no net magnetization in [Ca.sub.075][Cr.sub.0.25]As from a first-principles study

The first-principles study is used for analyzing the magnetic and half-metallic properties of ordered Ca-Cr-As alloy with zinc-blende like structure. The results have shown that the compounds are half-metallic with magnetic moment determined by the Ca concentration and [Ca.sub.0.75][Cr.sub.0.25]As is a half-metallic antiferromagnet with no net magnetization.