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Three dimensional magnetism and coupling to conduction electrons in PdCrO2

arXiv:1111.4015 · doi:10.1103/PhysRevB.85.134403

Abstract

We report density functional calculations addressing the electronic structure and magnetic properties of delafossite PdCrO2. We find substantial magnetic interactions in the c-axis direction as well as beyond first nearest neighbors in-plane, so that PdCrO2 is a 3D frustrated antiferromagnet. We also find substantial coupling between the Cr moments and the Pd derived conduction electrons.