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X‐Ray Electron Density Distribution of GaAs
Author(s) -
Pietsch U.,
Tsirelson V. G.,
Ozerov R. P.
Publication year - 1986
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.2221380104
Subject(s) - charge density , electron , electron density , atomic physics , condensed matter physics , dispersion (optics) , valence (chemistry) , amplitude , physics , germanium , x ray , molecular physics , chemistry , optics , nuclear physics , quantum mechanics , silicon , optoelectronics
Using ten X‐ray structure amplitudes of strong reflections and nine weak reflections both, the valence electron and the difference electron density distribution of GaAs, are calculated. The experimental data are corrected for anomalous dispersion using a bond charge model. The calculated plots are compared with up to now published band structure‐based and semiempirically calculated density plots. Taking into account the experimental data of germanium, measured on the same absolute scale, the difference density between GaAs and Ge is calculated. This exhibits the charge transfer between both the f.c.c.‐sublattices as well as both, the shift and the decrease of the bond charge, quite closely connected to the theoretical results published by Baur et al.