Nearly hyperuniform network models of amorphous silicon

Miroslav Hejna, Paul J. Steinhardt, and Salvatore Torquato
Phys. Rev. B 87, 245204 – Published 17 June 2013

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 k0. We define a NHN as an amorphous network whose structure factor S(k0) 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(k0)] 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.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 3 March 2013

DOI:https://doi.org/10.1103/PhysRevB.87.245204

©2013 American Physical Society

Authors & Affiliations

Miroslav Hejna1,*, Paul J. Steinhardt1,2,†, and Salvatore Torquato1,3,‡

  • 1Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
  • 2Princeton Center for Theoretical Science, Princeton University, Princeton, New Jersey 08544, USA
  • 3Department of Chemistry, Princeton Institute for the Science and Technology of Materials, and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, USA

  • *mhejna@princeton.edu
  • steinh@princeton.edu
  • torquato@princeton.edu

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 87, Iss. 24 — 15 June 2013

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×