Interlayer exchange coupling a comparison of two theoretical concepts.pdf

PHILOSOPHICAL MAGAZINE B, 1998, VOL.78, NOS. 5/6, 557±564 Interlayer exchange coupling: a comparison of two theoretical concepts J. Opitz, P. Zahn and I. Mertig Institut fuè r Theoretische Physik, Technische Universitaèt Dresden, 01062 Dresden, Germany Abstract Interlayer exchange coupling (IEC) is calculated for Co/Cu and Ni/Cu(100) multilayers. The calculations are based on density functional theory using two di?erent Green function methods. Results of a supercell formulation with periodically repeated layers are compared to results for bilayers treated as planar perturbations. The coupling energy is obtained employing a frozen potential approximation. It will be shown that the results of both methods are in good agreement concerning the oscillation periods. Slight variations of the amplitude might be caused by additional multiple scattering e?ects in the superlattice. § 1. Introduction For a large number of magnetic multilayers experiments show an oscillatory behaviour of the interlayer exchange coupling (IEC) (Gruènberg et al. 1986; Parkin et al. 1990) as a function of the thickness of the non-magnetic spacer. Based on a Ruderman±Kittel±Kasuya±Yosida ( RKKY ) picture (Bruno and Chappert 1991), the oscillation periods are related to extremal spanning vectors (callipers) of the Fermi surface of the spacer material. However, the RKKY results are incomplete since they determine neither the amplitudes nor the phases of the oscillations. Furthermore, the discussion is only valid within the asymptotic limit, that is, for large distances (Kudrnovsky? et al. 1997). Signi?cant progress has been made using reliable ab initio calculations (Hermann et al. 1991, Lang et al. 1993, Kudrnovsky? et al. 1997). Two di?erent types of calcula- tion for IEC can be distinguished. One is based on a supercel l geometry (e.g. Hermann et al. 1991), which means that translational invariance is assumed. The other type investigates a magnetic bi- or multilayer embedded as a perturbation in an