التفاصيل البيبلوغرافية
| العنوان: |
Impact of finite temperatures and correlations on the anomalous Hall conductivity from ab initio theory. |
| المؤلفون: |
Ködderitzsch, Diemo, Chadova, Kristina, Minár, Ján, Ebert, Hubert |
| المصدر: |
New Journal of Physics; 2013, Vol. 15 Issue 5, p1-9, 9p |
| مصطلحات موضوعية: |
AB initio quantum chemistry methods, HALL effect, TEMPERATURE measurements, GREEN'S functions, ELECTRIC conductivity, TRANSITION metals |
| مستخلص: |
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. [ABSTRACT FROM AUTHOR] |
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