Vacancy formation energies in II–VI semiconductors
- 1 September 1987
- journal article
- Published by American Vacuum Society in Journal of Vacuum Science & Technology A
- Vol. 5 (5) , 3009-3013
- https://doi.org/10.1116/1.574248
Abstract
Cation and anion vacancy formation energies are calculated for HgTe, ZnTe, CdTe, and their dilute alloys. Harrison’s tight-binding theory is extended to a cluster embedded in an extended crystal. Only neutral vacancies have been considered and two final states for the removed atom have been addressed: a free atom in vacuum and an atom on an ideal (111) surface. Corrections caused by rehybridization of the dangling bonds and Coulomb energies resulting from charge redistribution have been included.Keywords
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