Tight-binding calculation of the properties of theFcenter and of isoelectronic defects in ZnS
- 15 November 1976
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 14 (10) , 4521-4526
- https://doi.org/10.1103/physrevb.14.4521
Abstract
Using a tight-binding parametrization of the band structure of ZnS, we calculate the energy levels of the center associated with a vacancy of S, and of some isoelectronic defects on Zn and S sites. The calculation is performed in a Koster-Slater scheme, using the Haydock, Heine, and Kelly recursion method to generate the Green's functions. The theoretical results agree reasonably well with the experimental data.
Keywords
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