Magnetic Compton profile of nickel

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Published under licence by IOP Publishing Ltd
, , Citation V Sundararajan and D G Kanhere 1991 J. Phys.: Condens. Matter 3 3311 DOI 10.1088/0953-8984/3/19/009

0953-8984/3/19/3311

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 (pz=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.

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10.1088/0953-8984/3/19/009