Premium
A non‐diagonally screened model potential for semiconductors applied to the band structure calculation of Si
Author(s) -
Pasemann L.
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.2220840120
Subject(s) - semiconductor , ionic bonding , electronic band structure , electronic structure , local density approximation , diagonal , electron , valence band , semimetal , charge (physics) , valence (chemistry) , molecular physics , materials science , chemistry , atomic physics , condensed matter physics , physics , band gap , ion , quantum mechanics , mathematics , geometry
On the basis of a non‐linear approximation of the electronic charge density in the perturbing potential the screening of the ionic model potential by the valence electrons of a semiconductor is described by a screening matrix and the depletion hole charge. Using the bare model potantial of Shaw the constructed screening model is tested by local and non‐local band structure calculations of Si. The band structure calculated with the non‐local model potential is in good agreement with experimentally established data. The local approximation is not appropriate.