| Structural Features of Boron-Doped Si（113） Surfaces Simulated by ab initio Calculations |
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| 引用本文： | 廖龙忠,;刘争晖,;张朝晖.Structural Features of Boron-Doped Si（113） Surfaces Simulated by ab initio Calculations[J].中国物理快报,2008,25(6):2177-2180. |
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| 作者姓名： | 廖龙忠 ;刘争晖 ;张朝晖 |
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| 作者单位： | [1]State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871; [2]Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123 |
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| 基金项目： | Supported by the National Natural Science Founidation of China with Grant Nos 90406007 and 10434010, and the National Basic Research Programme of China under Grant No 2007CB936804. |
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| 摘 要： | Based on ab initio calculations, boron-doped Si（113） surfaces have been simulated and atomic structures of the surfaces have been proposed. It has been determined that surface features of empty and filled states that are separately localized at pentamers and adatoms indicates a low surface density of B atoms, while it is attributed to heavy doping of B atoms at the second layer that pentamers and adatoms are both present in an image of scanning tunnelling microscopy. B doping at the second layer should be balanced by adsorbed B or Si atoms beside the adatoms and inserted B interstitials below the adatoms.
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| 关 键 词： | 硅 硼掺杂 表面特征 原子结构 从头计算 |
| 收稿时间： | 2008-3-13 |
Structural Features of Boron-Doped Si(113) Surfaces Simulated by ab initio Calculations |
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| LIAO Long-Zhong,LIU Zheng-Hui,ZHANG Zhao-Hui.Structural Features of Boron-Doped Si(113) Surfaces Simulated by ab initio Calculations[J].Chinese Physics Letters,2008,25(6):2177-2180. |
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| Authors: | LIAO Long-Zhong LIU Zheng-Hui ZHANG Zhao-Hui |
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| Institution: | State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou 215123 |
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| Abstract: | Based on ab initio calculations, boron-doped Si(113) surfaces have been simulated and atomic structures of the surfaces have been proposed. It has been determined that surface features of empty and filled states that are separately localized at pentamers and adatoms indicates a low surface density of B atoms, while it is attributed to heavy doping of B atoms at thesecond layer that pentamers and adatoms are both present in an image of scanning tunnelling microscopy. B doping at the second layer should be balanced by adsorbed B or Si atoms beside the adatoms and inserted B interstitials below the adatoms. |
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| Keywords: | 68 03 Hj 68 35 Dv 68 37 Ef |
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