Journal Article PreJuSER-16691

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Ab Initio Theory of the Scattering-Independent Anomalous Hall Effect

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2011
APS College Park, Md.

Physical review letters 107, 106601 () [10.1103/PhysRevLett.107.106601]

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Abstract: We report on first-principles calculations of the side-jump contribution to the anomalous Hall conductivity (AHC) directly from the electronic structure of a perfect crystal. We implemented our approach for a short-range scattering disorder model within the density functional theory and computed the full scattering-independent AHC in elemental bcc Fe, hcp Co, fcc Ni, and L1(0) FePd and FePt alloys. The full AHC thus calculated agrees systematically with experiment to a degree unattainable so far, correctly capturing the previously missing elements of side-jump contributions, hence paving the way to a truly predictive theory of the anomalous Hall effect and turning it from a characterization tool to a probing tool of multiband complex electronic band structures.

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Note: We gratefully acknowledge Julich Supercomputing Centre for computing time and funding under the HGF-YIG Programme VH-NG-513. J.S. was supported under Grant Nos. ONR-N000141110780 and NSF-DMR-1105512 and by the Research Corporation Cottrell Scholar Award.

Contributing Institute(s):
  1. Quanten-Theorie der Materialien (PGI-1)
  2. Quanten-Theorie der Materialien (IAS-1)
  3. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
  4. Jülich-Aachen Research Alliance - Simulation Sciences (JARA-SIM)
Research Program(s):
  1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2011
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 Record created 2012-11-13, last modified 2020-04-23


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