J. Phys. I France
Volume 7, Numéro 11, November 1997
Page(s) 1299 - 1304
DOI: 10.1051/jp1:1997133
J. Phys. I France 7 (1997) 1299-1304

$\mathit{Ab\!-\!initio}$ Determination of Magnetic Interface Coupling Constants for Magnetic Multilayers

P. Weinberger1, 2, C. Sommers3, U. Pustogowa2, L. Szunyogh2, 4 and B. Újfalussy2

1  Institut für Technische Elektrochemie, Technical University Vienna, Getreidemarkt 9, 1060 Vienna, Austria
2  Center for Computational Materials Science, Vienna, austria
3  Laboratoire de Physique des Solides URA 2 CNRS, Université Paris-Sud, bâtiment 510, 91405 Orsay Cedex, France
4  Department of Theoretical Physics, Technical University of Budapest, Hungary

(Received 21 July 1997, received in final form 30 July 1997, accepted 8 September 1997)

The magnetic (in-plane) interface coupling energy of an Au(100)/FeAu 3Fe/Au(100) multilayer system has been calculated using the well-known fully relativistic spin-polarized Screened KKR method. The coupling energy was expanded in polynomials of cos( $\delta$) in order to compare it with calculations using the Force Theorem method prescription. The second order term in the polynomial expansion is important when looking at total energy differences. The intention of this paper is to show the numerical feasibility of using the force theorem on particular model systems. In another paper we apply it to existing physical systems.

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