Journal
NEW JOURNAL OF PHYSICS
Volume 15, Issue -, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1367-2630/15/5/053009
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Funding
- DFG [SFB 689, FOR 1346, SPP 1538]
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Finite-temperature effects in the first-principles calculations of electronic transport up to now include almost exclusively only electronic temperatures by means of the Fermi-distribution function neglecting the influence of lattice vibrations. Here, employing the linear response Kubo formalism as implemented in a fully relativistic multiple-scattering Korringa-Kohn-Rostoker Green function method a systematic first-principles study of the anomalous Hall conductivity (AHC) of the 3d-transition metals Fe, Co and Ni is presented. It is shown that the inclusion of both correlations and thermal lattice vibrations is needed to give a material-specific description of the AHC in transition metals. The employed general framework will allow a first-principles description of other transverse transport phenomena treating correlations, finite temperatures and disorder on the same footing, giving valuable insights for experiments.
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