Tight-binding calculation of the properties of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>F</mml:mi></mml:math>center and of isoelectronic defects in ZnS

Abstract

Using a tight-binding parametrization of the band structure of ZnS, we calculate the energy levels of the $F$ 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.