volume 108, issue 2, P511-520 1981
DOI: 10.1002/pssb.2221080228
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Abstract: 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 …

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