Open AccessA THEORETICAL CALCULATION OF VALENCE-BAND OFFSETS AT HETEROJUNCTIONS
Author(s) -
Renzhi Wang,
Huang Mei-Chun
Publication year - 1991
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.40.1683
Subject(s) - heterojunction , superlattice , valence band , condensed matter physics , semiconductor , materials science , valence (chemistry) , density functional theory , electronic band structure , density of states , band gap , physics , optoelectronics , quantum mechanics
Basing on the density functional theory and LMTO-ASA band method, we study the properties of an average hybridization energy Ez of sp3 hydrid orbital, near the interface in semiconductor superlattice. It is shown that the Ez can be considered as a reference energy level for calculating the valence-band offsets △Ev at heterojunctions. The results indicate that the theo-retical values of the △Ev obtained with this method for several hererojunctions are in agreement with other theoretical and experimental results.