| O_2/Si(100)非重构表面LEPS相互作用势模型 |
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| 引用本文： | 周立新,沈学英.O_2/Si(100)非重构表面LEPS相互作用势模型[J].真空科学与技术学报,1996(3). |
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| 作者姓名： | 周立新 沈学英 |
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| 作者单位： | 清华大学电子工程系!北京100084 |
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| 摘 要： | 对双原子分子O2与非重构Si（100）表面相互作用的LEPS半经验势模型进行了研究，其中表面作为具有波纹度的刚性表面进行处理。确立了系统的势能超曲面，得到的表面吸附特性与P．V．Smith等人基于ASED－MO方法的研究结果进行了定量对比分析。对不同入射条件下的分子－表面相互作用势也进行了研究。
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| 关 键 词： | LEPS势 分子反应势垒 分子吸附势阱 吸附能 |
THE LEPS INTERACTION POTENTIAL MODEL OF O_2/Si(100) UNRECONSTRUCTED SURFACE |
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| Zhou Lixin,Shen Xueying.THE LEPS INTERACTION POTENTIAL MODEL OF O_2/Si(100) UNRECONSTRUCTED SURFACE[J].JOurnal of Vacuum Science and Technology,1996(3). |
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| Authors: | Zhou Lixin Shen Xueying |
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| Abstract: | The semi-empirical LEPS model potential illustrating the interaction of a diatomic molecule O2 with Si(100) unreconstructed surface has been investigated while surface is treated as rigid but corrugated.The potential energy surface (PES) of the system has been established and the results of surface adsorption from it are compared and analyzed quantitatively with the ones based on ASED-MO method by P. V. Smith.The molecule-surface interaction potential for different positions of approach and different internuclear sepera tions are also analyed. |
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| Keywords: | LEPS potential Molecular reaction potential barrier Molecular adsorption potential well Adsorption energy |
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