Nearly hyperuniform network models of amorphous silicon

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We introduce the concept of nearly hyperuniform network (NHN) structures as alternatives to the conventional continuous random network (CRN) models for amorphous tetrahedrally coordinated solids, such as amorphous silicon (a-Si). A hyperuniform solid has a structure factor S(k) that approaches zero as the wavenumber k→0. We define a NHN as an amorphous network whose structure factor S(k→0) is smaller than the liquid value at the melting temperature. Using a novel implementation of the Stillinger-Weber potential for the interatomic interactions, we show that the energy landscape for a spectrum of NHNs includes a sequence of local minima with an increasing degree of hyperuniformity [smaller S(k→0)] that is significantly below the frozen-liquid value and that correlates with other measurable features in S(k) at intermediate and large k and with the width of the electronic band gap.

Original languageEnglish (US)
Article number245204
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number24
StatePublished - Jun 17 2013

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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