Year: 2000
Type: article
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.
Authors: G. T. Barkema, Normand Mousseau
Institutions: Utrecht University, Ohio University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2140854698