Towards device-size atomistic models of amorphous silicon

Details Towards device-size atomistic models of amorphous silicon Towards device-size atomistic models of amorphous silicon

2001-07-17

arxiv.org/abs/cond-mat/0107358v1

Phys. Rev. B 64, 245214 (2001)

Physics

Condensed Matter

Materials Science

7 pages, 3 figures

Scientific paper

10.1103/PhysRevB.64.245214

The atomic structure of amorphous materials is believed to be well described by the continuous random network model. We present an algorithm for the generation of large, high-quality continuous random networks. The algorithm is a variation of the "sillium" approach introduced by Wooten, Winer, and Weaire. By employing local relaxation techniques, local atomic rearrangements can be tried that scale almost independently of system size. This scaling property of the algorithm paves the way for the generation of realistic device-size atomic networks.

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