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We present a weak-relativistic limit comparison between the Kohn-Sham-Dirac equation and its approximate form containing the exchange coupling, which is used in almost all relativistic codes of density-functional theory. For these two descriptions, an exact expression of the Dirac Green's function in terms of the non-relativistic Green's function is first derived and then used to calculate the effective Hamiltonian, i.e., Pauli Hamiltonian, and effective velocity operator in the weak-relativistic limit. We point out that, besides neglecting orbital magnetism effects, the approximate Kohn-Sham-Dirac equation also gives relativistic corrections which differ from those of the exact Kohn-Sham-Dirac equation. These differences have quite serious consequences: in particular, the magnetocrystalline anisotropy of an uniaxial ferromagnet and ...
A model to treat the anomalous Hall effect is developed. Based on the Kubo formalism and on the Dirac equation, this model allows the simultaneous calculation of the skew-scattering and side-jump contributions to the anomalous Hall conductivity. The continuity and the consistency with the weak-relativistic limit described by the Pauli Hamiltonian is shown. For both approaches, Dirac and Pauli, the Feynman diagrams, which lead to the skew-scattering and the side-jump contributions, are underlined. In order to illustrate this method, we apply it to a particular case: a ferromagnetic bulk compound in the limit of weak-scattering and free-electrons approximation. Explicit expressions for the anomalous Hall conductivity for both skew-scattering and side-jump mechanisms are obtained. Within this model, the recently predicted ''spin Hall ef...
Comment: 4 pages, 1 figure
Comment: 24 pages, 7 figures, Proceedings of the NATO ARW workshop on Quantum Noise, Y. Nazarov and Y. Blanter editors (Kluwer 2002)
Comment: Proceedings of the 6th Rencontres du Vietnam, Hanoi (2006)
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