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Calculation of Defects in Silicon by a New Tight-Binding Model |
| PEI Min1;WANG Wei1;PAN Bi-Cai1,2,3;LI Yong-Ping1,2,3 |
| 1Structure Research Laboratory, 2Department of Physics, 3Center of Nonlinear Science, University of Science and Technology of China, Hefei 230026 |
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| Cite this article: |
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PEI Min, WANG Wei, PAN Bi-Cai et al 2000 Chin. Phys. Lett. 17 215-217 |
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Abstract The structural and electronic properties of monovacancy, divacancy defects within crystalline silicon have been investigated systematically using a new tight-binding model with a 216-atom supercell. The formation energies and energy levels of all the defect configurations are carefully calculated. The results show that atoms nearer to the defects naturally contribute to gap states more, and are comparable with the experimental values.
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| Keywords:
61.72.Ji
71.15.-m
71.15.Fv
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Published: 01 March 2000
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