Origins of k · p errors for [001] GaAs/AlAs heterostructures

Autor: Alex Zunger, David Gershoni, D. M. Wood
Rok vydání: 1996
Předmět:
Zdroj: Europhysics Letters (EPL). 33:383-390
ISSN: 1286-4854
0295-5075
DOI: 10.1209/epl/i1996-00351-x
Popis: T he k ¢ pmethod + envelope function combination used for semiconductor het- erostructures is based on approximations dubious under some conditions. We directly compare 8-band k¢p with pseudopotential results for (001) GaAs/AlAs superlattices and quantum wells with all k¢p input parameters directly computed from bulk GaAs and AlAs pseudopotential bands. We flnd generally very good agreement for zone-center hole states within» 200 meV of the GaAs valence band maximum, but i) systematic errors deeper in the valence band and ii) qualitative errors for even the lowest conduction bands with appreciable contributions from ofi-i zinc-blende states. We trace these errors to inadequate k¢p description of bulk GaAs and AlAs band dispersion away from the zone center.
Databáze: OpenAIRE