How disorder affects the Berry-phase anomalous Hall conductivity: A reciprocal-space analysis

Under the terms of the Creative Commons Attribution License 3.0 (CC-BY).The anomalous Hall conductivity of “dirty” ferromagnetic metals is dominated by a Berry-phase contribution which is usually interpreted as an intrinsic property of the Bloch electrons in the pristine crystal. In this work we evaluate the geometric Hall current directly from the electronic ground state with disorder and then recast it as an integral over the crystalline Brillouin zone. The integrand is an effective k-space Berry curvature, obtained by unfolding the Berry curvature from the small Brillouin zone of a large supercell. Therein, disorder yields a net extrinsic Hall contribution, which we argue is related to the elusive side-jump effect. As an example, we unfold the first-principles Berry curvature of an ordered Fe3Co alloy from the original fcc-lattice Brillouin zone onto a bcc-lattice zone with four times the volume. Comparison with the virtual-crystal Berry curvature clearly reveals the symmetry-breaking effects of the substitutional Co atoms.This work was supported by Grants No. MAT2012-33720 from the Ministerio de Economía y Competitividad (Spain), No. CIG-303602 from the European Commission, and ONR Grant No. N00014-12-1-1041 (USA).Peer Reviewe