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Medium range order and the radial distribution function

机译:中程阶数和径向分布函数

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We have studied the subtle differences between the radial distribution functions g(r) of several models of disordered silicon, which contain differing amounts of paracrystalline medium range order. Due to the inherent averaging of diffraction data at medium range length scales r, the differences are indeed small. We find, however, that the residual function G(r) = r[g(r) 1] exhibits all oscillatory decay, with discernibly different decay lengths. The decay lengths are found to be proportional to the radial extent of the medium range order in the model as determined by several other computational methods. Our results indicate that the extent of medium range order could be measured by diffraction experiments. However, to discern the nature of the ordering, fluctuation microscopy is needed, and for models, improved methods for modeling the oscillatory part of G(r) are essential. (c) 2005 Elsevier B.V. All rights reserved.
机译:我们已经研究了几种无序硅模型的径向分布函数g(r)之间的细微差异,这些模型包含不同数量的顺晶介质范围有序。由于在中等范围长度标度r下对衍射数据进行固有的平均,因此差异确实很小。但是,我们发现,残差函数G(r)= r [g(r)1]表现出所有振荡衰减,衰减长度明显不同。发现衰减长度与通过其他几种计算方法确定的模型中中等范围阶跃的径向范围成比例。我们的结果表明,可以通过衍射实验测量中等范围的有序度。但是,要辨别排序的性质,需要使用波动显微镜,并且对于模型,对G(r)的振荡部分进行建模的改进方法至关重要。 (c)2005 Elsevier B.V.保留所有权利。

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