Abstract

The normal ground state of LaOFeAs is an antiferromagnet (AFM) with magnetically stripe-ordered FeAs planes. By using a full-potential augmented plane wave method within density functional theory, we find LaOCr0.5Fe0.5As to be a quasi-2D half-metallic (HM) AFM, where two component magnetic ions in a unit cell have antialigned local moments that cancel exactly because of the integer filling of an insulating channel. Both striped and checkerboard structures in CrFeAs2 planes show stable HM-AFM behaviors in the ground state.

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