High-quality continuous random networks

G. T. Barkema and Normand Mousseau
Phys. Rev. B 62, 4985 – Published 15 August 2000
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Abstract

The continuous random network (CRN) model is an idealized model for perfectly coordinated amorphous semiconductors. The quality of a CRN can be assessed in terms of topological and configurational properties, including coordination, bond-angle distributions, and deformation energy. Using a variation on the sillium approach proposed 14 years ago by Wooten, Winer, and Weaire, we present 1000-atom and 4096-atom configurations with a degree of strain significantly less than the best CRN available at the moment and comparable to experimental results. The low strain is also reflected in the electronic properties. The electronic density of state obtained from ab initio calculation shows a perfect band gap, without any defect, in agreement with experimental data.

  • Received 4 November 1999

DOI:https://doi.org/10.1103/PhysRevB.62.4985

©2000 American Physical Society

Authors & Affiliations

G. T. Barkema*

  • Theoretical Physics, Utrecht University, Princetonplein 5, 3584 CC Utrecht, the Netherlands

Normand Mousseau

  • Department of Physics and Astronomy and CMSS, Ohio University, Athens, Ohio 45701

  • *Email address: barkema@phys.uu.nl
  • Email address: mousseau@ohio.edu

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Vol. 62, Iss. 8 — 15 August 2000

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