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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Microstructural analysis of nanostructured amorphous silicon-germanium alloys: Numerical modeling
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Microstructural analysis of nanostructured amorphous silicon-germanium alloys: Numerical modeling

机译：纳米结构无定形硅 - 锗合金的微观结构分析：数值模拟

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A detailed microstructural analysis of amorphous silicon-germanium alloys with germanium fraction ranging from 0.1 to 0.5 is performed by means of a numerical modeling technique. By substituting Ge atoms for Si atoms in nanoporous paracrystalline network of amorphous silicon, several amorphous silicon-germanium structures have been generated then relaxed. The main aim of our work is to study the effect of compositional heterogeneities on the structural properties of amorphous silicon-germanium alloys in comparison with the standard case, that of a homogeneous random distribution of the atoms. In the present work we envisage the two-phase amorphous silicon-germanium model proposed by Goerigk and Williamson to interpret their anomalous small-angle X-ray scattering measurements; it consists on a mixture of Ge-rich and Ge-poor domains at the nanoscale. The microstructure of our structural models is analyzed by examining the macroscopic mass density, the X-ray diffraction intensity, the radial distribution functions, the bond lengths and the coordination numbers within the first coordination shell of Si and Ge atoms.
机译：通过数值建模技术进行与锗级分数范围为0.1至0.5的非晶硅 - 锗合金的详细微观结构分析。通过在无定形硅的纳米多孔脱丙基网络中代替GE原子的Si原子，已经产生了几种无定形硅 - 锗结构然后松弛。我们的作品的主要目的是研究组合物异质性对与标准情况相比的非晶硅 - 锗合金结构性能的影响，原子均匀随机分布的均匀随机分布。在本工作中，我们设想了Goergk和Williamson提出的两阶段非晶硅锗模型，以解释它们的异常小角X射线散射测量;它包括在纳米级的GE丰富和GE差的域的混合物。通过检查Si和Ge原子的第一配位壳内的宏观质量密度，X射线衍射强度，径向分布函数，键合长度和配位数来分析我们的结构模型的微观结构。

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