Theoretical Study for Ferromagnetic/Nonmagnetic Metallic Multilayrs

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1) The perpendicular magnetic anisotropy energy in the ferromagnetic/nonmagnetic metallic multilayrs were investigated calculating the electronic structures by LMTO-ASA method within the framework of the local-density-approximation, for X/Co (X= Pd, Pt, Cu, Ag, Au, Ni) and X/Fe (X=Ag, Au, Ni) systems. We have found that the general tendency of the perpendicular magnetic anisotropy energy (MAE) in these systems are well explained by first-principles calculations. The thickness of Co (ferromagnetic) layr dependence and the strain dependence of the MAE were also investigated.2) The magnetic properties of rare-earth and 3d transition metal compounds are enhanced by the addition of N,C or B.We have calculated the electronic charge density maps and the spindensity maps of GdFe_<12>, GdFe_<12>N,Gd_2Fe_<17> and Gd_2Fe_<17>N_3 by the FLAPW method and clarified the microscopic origin of the strong uniaxial magnetic anisotropy energy due to the addition of N or C.It was also found that the addition of N is most effective to enhance the magnetism of these compounds.3)We have also calculated the MAE due to the spin-orbit coupling of 3d transition metal itself for YCo_5, Y_2Co_7, YCo_3 and Y_2Co_<17> by the LMTO method including the spin-orbit coupling term.4)We have also performed the preliminary calculation of the magneto-optical (Kerr) effect by the LMTO method for hcp-Co, fcc-Co, and ferromagnetic/nonmagnetic metallic multilayrs Fe (nML) /Au (nML) (n=1,2,3,4) and TM (1ML) /X (2ML)(TM=Mn, Fe, Co ; X=Pd, Pt, Ag, Au) systems.5)We have also performed the first principles calculations to predict theoretically new half-metallic compounds to realize the half-metallic/nonmagnetic multilayr.