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Thomas‐Fermi Approximation for the Valence Electron Densities in Cubic Semiconductors and Insulators
Author(s) -
Baldereschi A.,
Maschke K.,
Milchev A.,
Pickenhain R.,
Unger K.
Publication year - 1981
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.2221080228
Subject(s) - condensed matter physics , valence (chemistry) , semiconductor , fermi level , quasi fermi level , electron , fermi gamma ray space telescope , valence band , physics , band gap , quantum mechanics
The validity of the Thomas‐Fermi approximation for the calculation of valence charge densities in cubic semiconductors and insulators is investigated. Starting from local soft‐core pseudopotentials the valence charge densities are calculated via full band structure calculations and by using the Thomas‐Fermi approach. The results obtained by the two different methods agree surprisingly well. It is found that the validity of the Thomas‐Fermi approximation decreases with increasing ionicity and covalency of the considered compounds.