Fully relaxed point defects in crystalline silicon
- 15 July 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 48 (3) , 1486-1489
- https://doi.org/10.1103/physrevb.48.1486
Abstract
We have studied intrinsic point defects in crystalline silicon via a tight-binding molecular-dynamics scheme. The intrinsic defects studied in this work are the vacancy, the interstitial, the divacancy, the split divacancy, and the vacancy-interstitial complex. Fully relaxed geometries, gap states, and formation energies are investigated. It is shown that the relaxation effects cannot be neglected, in particular, in the peak position of band-gap states.Keywords
This publication has 27 references indexed in Scilit:
- Total energy of isolated point defects in solidsPhysical Review B, 1983
- Total energies in Se. III. Defects in the glassPhysical Review B, 1983
- Theory of the silicon vacancy: An Anderson negative-systemPhysical Review B, 1980
- Simple parametrized model for Jahn-Teller systems: Vacancy in-type siliconPhysical Review B, 1980
- Calculation of Defect States in Amorphous SeleniumPhysical Review Letters, 1979
- Electron-Paramagnetic-Resonance Detection of Optically Induced Divacancy Alignment in SiliconPhysical Review B, 1972
- Defects in Irradiated Silicon: Electron Paramagnetic Resonance of the DivacancyPhysical Review B, 1965
- Silicon Divacancy and its Direct Production by Electron IrradiationPhysical Review Letters, 1961
- Defects in Irradiated Silicon. I. Electron Spin Resonance of the Si-CenterPhysical Review B, 1961
- Radiation-Induced Energy Levels in SiliconJournal of Applied Physics, 1959