Static corrections versus dynamic correlation effects in the valence band Compton profile spectra of Ni

Abstract

We compute the Compton profile of Ni using the Local Density Approximation of Density Functional Theory supplemented with electronic correlations treated at different levels. The total/magnetic Compton profiles show not only quantitative but also qualitative significant differences depending weather Hubbard corrections are treated at a mean field +U or in a more sophisticated dynamic way. Our aim is to discuss the range and capability of electronic correlations to modify the kinetic energy along specific spatial directions. The second and the fourth order moments of the difference in the Compton profiles are discussed as a function of the strength of local Coulomb interaction $U$.

10 pages, 7 figs., submitted to PRB

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Cited by in corpus (5)

• Bulk and element specific magnetism of the medium and high entropy Cantor-Wu alloys
• Electron-electron interaction strength in ferromagnetic nickel determined by spin-polarized positron annihilation
• The isotropic Compton profile difference across the phase transition of VO${}_2$
• Magnetic Compton profiles of disordered Fe${}_{0.5}$Ni${}_{0.5}$ and ordered FeNi alloys
• Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory