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
1 Structure Research Laboratory, 2 Department of Physics, 3 Center of Nonlinear Science, University of Science and Technology of China, Hefei 230026
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
1 Structure Research Laboratory, 2 Department of Physics, 3 Center of Nonlinear Science, University of Science and Technology of China, Hefei 230026
关键词 ：
61.72.Ji ,
71.15.-m ,
71.15.Fv
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.
Key words ：
61.72.Ji
71.15.-m
71.15.Fv
出版日期: 2000-03-01
引用本文:
PEI Min;WANG Wei;PAN Bi-Cai;;LI Yong-Ping;. Calculation of Defects in Silicon by a New Tight-Binding Model[J]. 中国物理快报, 2000, 17(3): 215-217.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2000/V17/I3/215
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2000, Vol. 17 
