Modern quasiparticle calculations based on hybrid functionals are used to predict natural band discontinuities between silicon and In2O3, ZnO, and SnO2 by two alignment methods, a modified Tersoff method for the branch-point energy and the Shockley–Anderson model via the electron affinity rule. The results of both methods are found to be in good agreement. A tendency for misaligned type-II heterostructures is predicted, indicating efficient electron-hole separation at the Si-oxide interfaces.
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Höffling et al. (2010) studied this question.
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