Theory of Semiconductor Heterojunction Valence-Band Offsets: From Supercell Band-Structure Calculations toward a Simple Model
- 10 October 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 61 (15) , 1764-1767
- https://doi.org/10.1103/physrevlett.61.1764
Abstract
Supercell band-structure calculations of semiconductor heterojunctions were carried out with a significantly simplified description of self-consistency. The results show that the interface dipole, which is an important part of the band offset, is essentially dielectrically screened. A new simple model, emphasizing the charge transfer in the interfacial bonds, is proposed. Satisfactory results for a large number of lattice-matched (110) heterojunctions are presented.Keywords
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