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    潘必才

    TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN

    PAN BI-CAI
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    • 在已有的硅势模型基础上,引进氢原子,计及Si-H键环境的影响,构造出新的硅氢紧束缚势模型.通过测试计算,这一新的硅氢势模型显示出较好的传递性,可适宜于研究复杂的硅氢体系.
      We have developed a new Si-H tight-binding potential through introducing hydrogen atom into the previous silicon tight-binding potential model,in which the correction of environment around a Si-H bond is considered for the interaction between silicon and hydrogen.The testing results show good transferability,hence this new model can be used to do research on complicated silicon-hydrogen systems.
        • 基金项目:教育部留学基金;中国科学院留学基金;中国科学院基金;国家自然科学基金(批准号:69876035)资助的课题.
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      • 被引次数:0
      出版历程
      • 收稿日期:2000-05-18
      • 修回日期:2000-08-07
      • 刊出日期:2001-01-05

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