Abstract
Extended-range order (ERO), extending beyond 35 Å, has been discovered in very large (>10 000 atom) structural models of a-Si. These weak, but quasi-periodic, atomic-density fluctuations have a period of R ⋍ 3.4 Å, which corresponds to the position of the first sharp diffraction peak (FSDP) in the structure factor of a-Si at Q ⋍ 1.9 Å−1. In fact, more than half of the FSDP intensity is associated with the ERO fluctuations for r ≥ 10 Å. Atomic-void-based correlations are as well defined as atom correlations at large distances: the FSDP is equivalently found to be a chemical-order prepeak in Scc(Q) in the Bhatia-Thornton formalism calculated for the atom-void packing, thereby supporting the void model for the origin of the FSDP.
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