Regensburg 2010 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 30: Electron Theory of Magnetism

MA 30.2: Vortrag

Donnerstag, 25. März 2010, 17:15–17:30, H22

Theoretical description of spin-spirals using the KKR Green’s function method — •Sergiy Mankovsky¹, Gerhard H. Fecher², and Hubert Ebert¹ — ¹Dept. Chemie und Biochemie/Phys. Chemie, Universität München, Butenandtstr. 11, D-81377 München, Germany — ²Universität Mainz, Inst. of Anorg. und Analyt. Chemie, 55099 Mainz , Germany

We present a formalism for the theoretical description of spin-spirals within the KKR (Korringa-Kohn-Rostoker) Green’s function formalism. The present technique is applicable to any system, e.g., elemental solids, ordered compounds, as well as it allows also to deal with random alloys using the CPA (Coherent Potential Approximation) alloy theory. As examples, we present results of calculations for pure Fe (bcc and fcc), Ni (fcc), Fe-Pd alloys and Fe-Ni alloys in ordered and disordered phases and compare to available experimental data as well as theoretical results obtained by other authors.