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中国物理学会期刊

包含键环境修正的硅氢紧束缚势模型

CSTR: 32037.14.aps.50.268

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

CSTR: 32037.14.aps.50.268
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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.

     

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