Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory
A. D. N. James,
M. Sekania,
S. B. Dugdale
et al.
Abstract:We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field theory (DMFT). We present comparisons between the theoretical and experimental MCPs. The theoretical MCPs were calculated using the KKR method with the perturbative spin-polarized T-matrix fluctuation exchange approximation DMFT solver, as well as with the full potential linear augmented planewave method with the numerically exact continuous-time q… Show more
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