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Nearly hyperuniform network models of amorphous silicon

Author(s): Hejna, Miroslav; Steinhardt, Paul J.; Torquato, Salvatore

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Abstract: 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.
Publication Date: 15-Jun-2013
Electronic Publication Date: 17-Jun-2013
Citation: Hejna, Miroslav, Steinhardt, Paul J, Torquato, Salvatore. (2013). Nearly hyperuniform network models of amorphous silicon. PHYSICAL REVIEW B, 87, doi:10.1103/PhysRevB.87.245204
DOI: doi:10.1103/PhysRevB.87.245204
ISSN: 2469-9950
EISSN: 2469-9969
Type of Material: Journal Article
Journal/Proceeding Title: PHYSICAL REVIEW B
Version: Final published version. Article is made available in OAR by the publisher's permission or policy.

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