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Calculation of the Electronic Structure and Energy Broadening of Si x Ge 1—x Alloys
Author(s) -
Vinga E.S.,
Theodorou G.
Publication year - 2001
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 - 10.1002/1521-3951(200102)223:3<793::aid-pssb793>3.0.co;2-0
Subject(s) - alloy , materials science , electronic band structure , condensed matter physics , band gap , symmetry (geometry) , range (aeronautics) , valence (chemistry) , silicon , electronic structure , valence band , metallurgy , physics , optoelectronics , quantum mechanics , composite material , mathematics , geometry
The Haydock recursion method is used to study the electronic structure of the Si x Ge 1— x alloy. The direct energy band gap of this material as a function of silicon concentration is calculated at the critical symmetry points Γ, X and L. A systematic theoretical study of the alloy's energy broadening, produced by disorder, at the same symmetry points is also presented. It was found that the broadening is significant mainly for the conduction band, while for the valence band it is negligible. The theoretical results are in satisfactory agreement with the reported experimental ones for the entire concentration range.