THE EMPIRICAL PSEUDOPOTENTIAL METHOD IN THE CALCULATION OF HETEROSTRUCTURE BAND OFFSETS

Authors
ZHENG YM WANG RZ LI YB
Citation
Ym. Zheng et al., THE EMPIRICAL PSEUDOPOTENTIAL METHOD IN THE CALCULATION OF HETEROSTRUCTURE BAND OFFSETS, Journal of physics. Condensed matter, 8(39), 1996, pp. 7321-7327
Citations number
29
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
8
Issue
39
Year of publication
1996
Pages
7321 - 7327
Database
ISI
SICI code
0953-8984(1996)8:39<7321:TEPMIT>2.0.ZU;2-9
Abstract
The empirical pseudopotential method, with the average bond energy E(m ) as the energy reference, is applied for the first time in the calcul ation of band offsets in semiconductor heterostructures. The-calculati ons are carried out for three heterostructures: GaAs/Ge, AlAs/GaAs and AlAs/Ge. A picture of the band structures and their alignments, inclu ding conduction bands and valence bands, is given. The calculated vale nce band offsets are 0.57 eV for GaAs/Ge, 0.50 eV for AlAs/GaAs, and 1 .07 eV for AlAs/Ge, in excellent agreement with experimental data.