Построение 2D-картин рентгеновской дифракции от модельных кристаллов-вискеров арсенида галлия

М.Д. Шарков, Н.Д. Прасолов, Артем Андреевич Левин, П.Н. Брунков
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Abstract

A set of GaAs whisker crystallites in the shape of hexagonal prism with the axis along the [111] direction have been modeled as well as constructions consisting of such prisms. For these model samples XRD patterns have been calculated. Basing on the calculated XRD pattern analysis, a fitting configuration of prismatic fragments has been built for an atomic array obtained with the help of applying molecular dynamics techniques to the initial model prismatic GaAs crystallite.
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阿森尼德·高卢模型晶体的2D x射线衍射画
一组沿[111]方向具有轴对称的六边形棱柱形状的砷化镓晶须晶体以及由这些棱柱组成的结构已被建模。计算了这些模型样品的XRD谱图。在计算的XRD图谱分析的基础上,利用分子动力学技术对初始模型棱柱状砷化镓晶体进行了原子阵列的拟合,建立了棱柱状碎片的拟合构型。
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