Electronic Structure of the Jahn-Teller Distorted Vacancy in Silicon
- 29 October 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 43 (18) , 1354-1357
- https://doi.org/10.1103/physrevlett.43.1354
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.Keywords
This publication has 11 references indexed in Scilit:
- Self-Consistent Method for Point Defects in Semiconductors: Application to the Vacancy in SiliconPhysical Review Letters, 1978
- Self-Consistent Green's-Function Calculation of the Ideal Si VacancyPhysical Review Letters, 1978
- Scattering-theoretic method for defects in semiconductors. I. Tight-binding description of vacancies in Si, Ge, and GaAsPhysical Review B, 1978
- Surface reconstruction on semiconductorsSurface Science, 1976
- Self-consistent electronic states for reconstructed Si vacancy modelsPhysical Review B, 1976
- The Lattice Vacancy in Si and GePhysica Status Solidi (b), 1974
- Self-Consistent Pseudopotential for SiPhysical Review B, 1973
- Surface States and Surface Bonds of Si(111)Physical Review Letters, 1973
- Molecular-Orbital Treatment for Deep Levels in Semiconductors: Substitutional Nitrogen and the Lattice Vacancy in DiamondPhysical Review B, 1973
- Colour centres in irradiated diamonds. IProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1957