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本文在虚晶背景中嵌入5原子集团,采用Recursion方法计算了Ge1-xSix混晶的声子谱,详细分析了振动模式的形成和发展过程。With the model of five-atom clusters in virtual crystal background and the recursion method, we calculated the phonon spectra of Ge1-xSix mixed crystal. The developement processes of vibrational modes were analysed in detail.
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