We derive rules for bonding at interfaces between Si and ionic oxides so that they satisfy valence requirements and give a defect-free interface. These rules are used to analyze epitaxial interfaces of SrTiO3 on (100)Si. The band offsets are found from the local density of states and it is found possible to modulate the offset. Some proposed interface structures are found to give gap states.
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Peacock et al. (2003) studied this question.
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