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Dependency of a localized phonon mode intensity on compositional cluster size in SiGe alloys
Aip Advances ( IF 1.6 ) Pub Date : 2021-07-08 , DOI: 10.1063/5.0055307
Sylvia Yuk Yee Chung 1 , Motohiro Tomita 1, 2 , Junya Takizawa 1 , Ryo Yokogawa 3, 4 , Atsushi Ogura 3, 4 , Haidong Wang 5 , Takanobu Watanabe 1, 2
Affiliation  

Using molecular dynamics, we found that the localized phonon-mode spectrum in SiGe alloys, which was recently discovered by an inelastic x-ray scattering experiment, changes according to the size distribution of compositional clusters in alloys. By varying the spatial distributions of Si and Ge, alloy models with differing compositions of Si and Ge clusters were able to be produced. For a range of alloys comprising 20%–80% Ge, a mixture of small and intermediate sized clusters will give the highest intensities of the local mode. The Si–Ge optical mode intensity increases with the local mode intensity, but the Si–Ge bond alone is not sufficient to produce the local mode. Si rich alloys with small Ge clusters produce the highest local mode intensities, suggesting that this mode is caused by small Ge clusters surrounded by Si pairs.

中文翻译:

局部声子模式强度对 SiGe 合金中组成簇大小的依赖性

使用分子动力学,我们发现最近通过非弹性 X 射线散射实验发现的 SiGe 合金中的局域声子模式光谱根据合金中组成簇的尺寸分布而变化。通过改变 Si 和 Ge 的空间分布,能够产生具有不同 Si 和 Ge 簇组成的合金模型。对于包含 20%–80% Ge 的一系列合金,小型和中等尺寸簇的混合物将提供最高的局部模式强度。Si-Ge 光模强度随着局部模式强度的增加而增加,但单独的 Si-Ge 键不足以产生局部模式。具有小 Ge 簇的富硅合金产生最高的局部模式强度,表明这种模式是由 Si 对包围的小 Ge 簇引起的。
更新日期:2021-07-30
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