STRAIN-INDUCED MAGNETOCRYSTALLINE ANISOTROPY IN NI ON CU(001)

The origin of the observed perpendicular magnetic anisotropy (PMA) in Ni/Cu(001) for thick Ni layers is investigated using the ab initio ful l potential linearized augmented plane wave method. With the aid of th e state tracking and torque approaches, very stable results are obtain ed for the magnetocrystalline anisotropy (MCA) energies for both the N i/Cu(001) overlayer systems and the distorted bulk fct Ni. We find tha t the PMA is due mainly to the strain induced bulk contribution rather than to interfacial hybridization. The calculated value of the bulk M CA energy, 65 mu eV/atom, is very close to recent experimental data ex trapolated to zero temperature, 70 mu eV/atom. (C) 1997 American Insti tute of Physics.