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The quadratic response of a fermi gas. Building‐up of the covalent bonding in zineblende semiconductors. A nondiagonal density matrix treatment
Author(s) -
Milchev A.,
Pickenhain R.
Publication year - 1977
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.2220790219
Subject(s) - pseudopotential , density matrix , quadratic equation , diagonal , covalent bond , fermi gas , semiconductor , chemistry , valence (chemistry) , electron density , density of states , matrix (chemical analysis) , condensed matter physics , electron , physics , quantum mechanics , computational chemistry , mathematics , geometry , chromatography , quantum
The nondiagonal density matrix of a free electron gas, perturbed by a crystalline potential, is considered in the momentum‐space representation. One obtains for the second‐order correction to the unperturbed electron density on the diagonal an exact analytic expression for the quadratic filter function. It is used to evaluate the valence electron densities of Ge, Si, Sn, and GaAs. The influence of the separate pseudopotential formfactors, taken into account, on the bonding charge heaping up is thoroughly investigated.