| Atomic Layer Deposition of Al2O3 on H-Passivated GeSi： Initial Surface Reaction Pathways with H/GeSi（100）-2 × 1 |
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| 引用本文： | 施煜,孙清清,董琳,刘晗,丁士进,张卫.Atomic Layer Deposition of Al2O3 on H-Passivated GeSi： Initial Surface Reaction Pathways with H/GeSi（100）-2 × 1[J].中国物理快报,2009,26(5):64-66. |
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| 作者姓名： | 施煜 孙清清 董琳 刘晗 丁士进 张卫 |
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| 作者单位： | State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, Shanghai 200433 |
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| 基金项目： | Supported by the National High Technology Research and Development Program of China under Grant No 2006AA03Z307, the National Natural Science Foundation of China under Grant Nos 60628403 and 60776017, and SRFDP （20060246032）. |
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| 摘 要： | The reaction mechanisms of Al（CH3 ）3 （TMA） adsorption on H-passivated GeSi（100）-2 × 1 surface are investigated with density functional theory. The Si-Ge and Ge-Ge one-dimer cluster models are employed to represent the GeSi（100）-2 × 1 surface with different Ge compositions. For a Si-Ge dimer of a H-passivated SiGe surface, TMA adsorption on both Si-H^＊ and Ge-H^＊ sites is considered. The activation barrier of TMA with the Si-H^＊ site （1.2eV） is higher than that of TMA with the Ge-H^＊ site （0.91 eV）, which indicates that the reaction proceeds more slowly on the Si-H^＊ site than on the Ge-H^＊ site. In addition, adsorption of TMA is more energetically favorable on the Ge-Ge dimer than on the Si-Ge dimer of H-passivated SiGe.
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| 关 键 词： | 表面钝化 Al2O3 反应途径 原子层沉积 密度泛函理论 SiGe 二聚体 三甲胺 |
| 收稿时间： | 2008-11-11 |
Atomic Layer Deposition of Al2O3 on H-Passivated GeSi： Initial Surface Reaction Pathways with H/GeSi（100）-2 × 1 |
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| SHI Yu,SUN Qing-Qing,DONG Lin,LIU Han,DING Shi-Jin,ZHANG Wei.Atomic Layer Deposition of Al2O3 on H-Passivated GeSi： Initial Surface Reaction Pathways with H/GeSi（100）-2 × 1[J].Chinese Physics Letters,2009,26(5):64-66. |
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| Authors: | SHI Yu SUN Qing-Qing DONG Lin LIU Han DING Shi-Jin ZHANG Wei |
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| Institution: | State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, Shanghai 200433 |
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| Abstract: | The reaction mechanisms of Al(CH3)3 (TMA) adsorption on H-passivated GeSi(100)-2×1 surface are investigated with density functional theory. The Si-Ge and Ge-Ge one-dimer cluster models are employed to represent the GeSi(100)-2×1 surface with different Ge compositions. For a Si-Ge dimer of a H-passivated SiGe surface, TMA adsorption on both Si-H* and Ge-H* sites is considered. The activation barrier of TMA with the Si-H* site (1.2eV) is higher than that of TMA with the Ge-H* site (0.91eV), which indicates that the reaction proceeds more slowly on the Si-H* site than on the Ge-H* site. In addition, adsorption of TMA is more energetically favorable on the Ge-Ge dimer than on the Si-Ge dimer of H-passivated SiGe. |
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| Keywords: | 31 15 A- 31 15 E- 78 66 Db |
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