Generation of the first sharp diffraction peak by extended-range ordering of atoms and voids in amorphous silicon

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Abstract
A large molecular dynamics model of amorphous silicon is used to show how the first sharp diffraction peak is a direct consequence of fluctuations in the pair distribution function which persist to above 30 Å. The fluctuations can be explained in terms of the sum of neighbour-specific pair distribution functions, which reveal enhanced intensity of alternate (even-n) nth-neighbour peaks, or analogously in terms of the chemical ordering of interatomic voids about each atom.