Electronic structure of antiferromagnetic chromium (100) thin film

Abstract

The electronic structure of antiferromagnetic chromium (100) thin films with bulk interlayer distance and surface relaxation is calculated by the spin-polarised self-consistent-charge discrete variational X alpha method. The electronic bandstructures, the local density of states, atomic charges and spin polarisations of each of the atoms, including the spatial distributions and their dependence on the surface relaxation, are presented. The magnetic moments on the surface, second and third layers are 2.57, 0.96 and 0.64 mu B respectively. The surface spin polarisation decreases with surface contraction and increases with surface extension.