| Electronic Structure and Optical Properties of Semiconducting Orthorhombic BaSi2 |
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| 引用本文： | 程正则 成泽 徐斌. Electronic Structure and Optical Properties of Semiconducting Orthorhombic BaSi2[J]. 中国物理快报, 2007, 24(9): 2646-2649 |
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| 作者姓名： | 程正则 成泽 徐斌 |
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| 作者单位： | [1]Department of Physics, Huazhong University of Science and Technology, Wuhan 430074 [2]Department of Physics, Xianning College, Xianning 437005 [3]North China Institute of Water Conservancy and Hydroelectric Power, Zhengzhou 450011 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant Nos 10174024 and 10474025. |
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| 摘 要： | Full potential linearized augmented plane wave （FPLAPW） method calculations are carried out for semiconducting orthorhombic BaSi2. The optical properties and the origin of the different optical transitions are investigated. Our calculated band gap of 1.0918eV is indirect, which is in good agreement with the experimental result. The bonds between Ba and Si are considered to be electrovalent bond. The anlsotropy in the imaginary part ε2（w） and real part εl（w） of the optical dielectric tensor are analysed. The contributions of various transition peaks are explained from the imagnary part of the dielectric function.
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| 关 键 词： | 电子结构 光学材料 BaSi2 半导体 正交实验 |
| 收稿时间： | 2007-05-29 |
| 修稿时间： | 2007-05-29 |
Electronic Structure and Optical Properties of Semiconducting Orthorhombic BaSi2 |
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| CHENG Zheng-Ze,CHENG Ze,XU Bin. Electronic Structure and Optical Properties of Semiconducting Orthorhombic BaSi2[J]. Chinese Physics Letters, 2007, 24(9): 2646-2649 |
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| Authors: | CHENG Zheng-Ze CHENG Ze XU Bin |
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| Affiliation: | 1 Department of Physics, Huazhong University of Science and Technology, Wuhan 430074 ;2 Department of Physics, Xianning College, Xianning 437005 ;3 North China Institute of Water Conservancy and Hydroelectric Power, Zhengzhou 450011 |
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| Abstract: | |
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| Keywords: | 71.20.Nr 71.20.-b 78.20.Ci |
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