Premium
Tight‐binding calculations of the valence bands of diamond and zincblende crystals
Author(s) -
Chadi D. J.,
Cohen M. L.
Publication year - 1975
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.2220680140
Subject(s) - tight binding , valence (chemistry) , diamond , valence band , k nearest neighbors algorithm , binding energy , materials science , condensed matter physics , density of states , molecular physics , chemistry , electronic structure , crystallography , band gap , atomic physics , physics , organic chemistry , artificial intelligence , computer science , composite material
Abstract Using the tight‐binding method, the valence band structures and densities of states for C, Si, Ge, GaAs, and ZnSe are calculated. Very good agreement is obtained with other calculations when all nearest‐ and one second‐nearest‐neighbor interactions are included. The effects of the various interactions on the density of states are discussed.