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Reconstructed Three‐Dimensional Valence Electron Momentum Density of Si from Compton Profile Measurements
Author(s) -
Schülke W.
Publication year - 1974
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.2220620214
Subject(s) - pseudopotential , compton scattering , electron , physics , momentum (technical analysis) , valence electron , valence (chemistry) , atomic physics , anisotropy , electron density , optics , quantum mechanics , finance , economics
Recently measured anisotropies of Si valence electron Compton profiles with the scattering vector in the [100], [110], and [111] direction are analyzed together with calculated anisotropies of the corresponding Compton profiles from a modified free electron model. From both sets of profiles the momentum density ϱ( p ) is reconstructed. In comparison with the modified free electron model the experimental momentum density is strongly reduced in the vicinity of p =0.6 to 1.0 at. units along the [100] direction and enhanced mainly in the vicinity of p =1.1 at. units along the [110] direction. These main features of the reconstructed experimental momentum density are well reproduced by a pseudopotential band calculation of valence electron momentum densities along the [100], [110], and [111] directions. Also the influence of the orthogonalization term on the momentum density is estimated.