硅中取代碳的合金散射:第一性原理方法

Martin Paul Vaughan, F. Murphy-Armando, S. Fahy
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引用次数: 0

摘要

提出了一种利用第一性原理计算合金散射系数的方法。发现散射矩阵可以分解为两个可加性成分:原子取代的化学成分和离子弛豫的化学成分。然后应用该方法计算了硅中取代碳的谷内和谷间电子散射率。胞内散射是主要的过程。
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Alloy scattering of substitutional carbon in silicon: A first principles approach
A method is developed to obtain the alloy scattering coefficients from first-principles band structure calculations. It is found that the scattering matrix can be decomposed into two additive components: a chemical part due to atomic substitution and a part due to ionic relaxation. The method is then applied to find the intra-and inter-valley electron scattering rates for substitutional carbon in silicon. Intravalley scattering is found to be the dominant process.
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