Dresden 2014 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 51: Electron Theory of Magnetism

MA 51.1: Vortrag

Freitag, 4. April 2014, 09:30–09:45, HSZ 401

A coherent relativistic description of spin and orbital magnetisation of solids — •Hubert Ebert and Sergiy Mankovsky — Dept. Chemie/Physikalische Chemie, Universität München, Butenandtstr. 5-13, D-81377 München, Deutschland

Recently, a definition for the orbital magnetisation of magnetic solids was suggested using a Bloch representation of the electronic structure [1]. Results for the spin-orbit induced magnetisation of Fe, Co and Ni based on this approach were presented by various authors [2]. To avoid the approximations and limitations of these investigations we present a coherent relativistic definition for the total magnetisation that is derived from the interaction of the total electronic current density with an external magnetic vector potential. Representing the electronic structure in terms of the Green function using the KKR band structure method leads to two terms that can be related to the Van Vleck and Landau contributions of the magnetic susceptibility [3]. A decomposition of the total magnetisation may be obtained by subtracting the spin part, that can be unambiguously determined, from the total magnetisation. Another route is to make use of the Gordon decomposition of the total electronic current density leading in a natural way to a spin and orbital contribution. Numerical results for the elemental ferromagnets Fe, Co and Ni will be presented and discussed.

[1] J. Shi et al., PRL 99, 197202 (2007)

[2] D. Ceresoli et al. PRB 81 060409(R) (2010);

M. G. Lopez et al., PRB 85 014435 (2012)

[3] S. Mankovsky and H. Ebert, PRB 74, 054414 (2006)