Publication
Physical Review Letters
Paper

Electronic structure of the Jahn-Teller distorted vacancy in silicon

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Abstract

This Letter reports self-consistent-field calculations of the electronic structure of the Jahn-Teller distorted vacancy in Si. With use of the tetragonal atomic displacements estimated by Watkins, it is found that the Jahn-Teller splitting of the sixfold-degenerate bound state in the gap is of the order of 0.5 eV. This, together with small breathing-mode displacements, results in a fully occupied doublet in the lower part of the band gap, in agreement with experimental observations. © 1979 The American Physical Society.

Date

29 Oct 1979

Publication

Physical Review Letters

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