D.P. Divincenzo, J. Bernholc, et al.
Physical Review B
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.
D.P. Divincenzo, J. Bernholc, et al.
Physical Review B
D.B. Laks, C.G. Van De Walle, et al.
Physical Review Letters
M. Di Ventra, S.T. Pantelides, et al.
Physical Review Letters
S.T. Pantelides
MRS Proceedings 1993