Magnetic Compton profile of nickel

Abstract

Spin-dependent momentum densities in ferromagnetic nickel have been calculated by using the self-consistent spin-polarized linear combination of Gaussian orbitals (LCGO) method. The resulting magnetic Compton profiles have been compared with the recently measured experimental profiles reported by Timms et al. (1990). The LCGO magnetic profile along (111) direction disagrees with the experimental profile near the origin (p_z=0), in that the central dip seen in the experimental profile is not reproduced, a feature shared by APW profile. It is argued that the overestimation of the profiles near the origin is mainly due to electron-electron correlation effects inadequately treated in the local-density approximation.