Local interface composition and band discontinuities in heterovalent heterostructures
- Nicolini, R.
- Vanzetti, L.
- Mula, G.
- Bratina, G.
- Sorba, L.
- Franciosi, A.
- Peressi, M.
- Baroni, S.
- Resta, R.
- Baldereschi, A.
- Angelo, J. E.
- Gerberich, W. W.
DOIAbstract
The local Zn/Se relative concentration at the interface in ZnSe-GaAs(001) heterostructures synthesized by molecular beam epitaxy was found to be controlled by the Zn/Se flux ratio employed during the early growth stage of ZnSe on GaAs. Correspondingly, the valence band discontinuity varies from 1.20 eV (Zn-rich interface) to 0.58 eV (Se-rich interface). Comparison with the results of first-principles calculations suggests that the observed trend in band offsets is related to the establishment of neutral interfaces with different atomic configurations
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