Hybrid Functional Studies on Impurity-Concentration-Controlled Band Engineering of Chalcogen-Hyperdoped Silicon
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概要
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We employ the hybrid functional method to study the impurity-concentration-controlled band engineering of chalcogen-hyperdoped silicon. The variations of defect band width and distance to the conduction band with increasing impurity concentration are given, in which at very low concentration, the reasonable depths of defect states and the energy gap compared with the experiments indicate the good accuracy of hybrid functional calculations for the band structures. For S- and Se-doped silicon, the critical concentrations for the merging of defect and conduction bands are obtained. At the key concentrations related to the insulator-to-metal transition, the characteristics of band structures are discussed.
- 2013-08-25
著者
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Zhao Li
State Key Laboratory Of Bioreactor Engineering East China University Of Science And Technology
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Ning Bo-Yuan
Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
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Shao Hezhu
Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
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Liang Cong
State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433, China
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Zhu Zhen
Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
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Dong Xiao
Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
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Ning Xi-Jing
Applied Ion Beam Physics Laboratory, Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China
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Zhuang Jun
Shanghai Ultra-Precision Optical Manufacturing Engineering Center, Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
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