R. Nicolini et al., LOCAL INTERFACE COMPOSITION AND BAND DISCONTINUITIES IN HETEROVALENT HETEROSTRUCTURES, Physical review letters, 72(2), 1994, pp. 294-297
The local Zn/Se relative concentration at the interface in ZnSe-GaAs(0
01) heterostructures synthesized by molecular beam epitaxy was found t
o be controlled by the Zn/Se flux ratio employed during the early grow
th stage of ZnSe on GaAs. Correspondingly, the valence band discontinu
ity varies from 1.20 eV (Zn-rich interface) to 0.58 eV (Se-rich interf
ace). Comparison with the results of first-principles calculations sug
gests that the observed trend in band offsets is related to the establ
ishment of neutral interfaces with different atomic configurations.