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Theoretical compton profiles of magnesium
Author(s) -
Rennert P.,
Carl G.,
Gläser U.H.
Publication year - 1983
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221150125
Subject(s) - pseudopotential , magnesium , compton scattering , anisotropy , electron , atomic physics , physics , materials science , nuclear physics , optics , metallurgy
Abstract Starting from a pseudopotential calculation Compton profiles for h.c.p. magnesium single crystals are calculated. They are given for nine directions and for the directionally averaged case. The complete 〈001〉 profile of Mg is compared with an experimental result. The experimental Compton profile is slightly broader than the theoretical one because of the electron‐electron correlation. The anisotropy for I 〈001〉– I 〈100〉 and I 〈001〉– I 〈110〉 is found to be smaller than for experimental profiles but larger than for theoretical ones calculated by the APW method.