Magnetic Compton profile of nickel

Sundararajan, V. ; Kanhere, D. G. (1991) Magnetic Compton profile of nickel Journal of Physics: Condensed Matter, 3 (19). pp. 3311-3315. ISSN 0953-8984

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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.

Item Type:Article
Source:Copyright of this article belongs to Institute of Physics Publishing.
ID Code:16039
Deposited On:16 Nov 2010 13:31
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