Band offsets at the Si/SiO2 interface from many-body perturbation theory.
We use many-body perturbation theory, the state-of-the-art method for band-gap calculations, to compute the band offsets at the Si/SiO2 interface. We examine the adequacy of the usual approximations in this context. We show that (i) the separate treatment of band structure and potential lineup contr...
Hauptverfasser: | Shaltaf, R, Rignanese, G, Gonze, X, Giustino, F, Pasquarello, A |
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Format: | Journal article |
Sprache: | English |
Veröffentlicht: |
2008
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