Structural and vibrational properties of a realistic model of amorphous silicon
- 15 February 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 35 (5), 2366-2374
- https://doi.org/10.1103/physrevb.35.2366
Abstract
Calculations of the structural and vibrational properties of a 216-atom continuous-distorted-network model of amorphous silicon with periodic boundary conditions are presented and discussed. The pair correlation function and geometric distortions of the model are in good agreement with experiment. The eigenmodes of vibration are calculated using both the Keating and Weber interactions. The resulting phonon density of states and Raman and ir spectra also show good agreement with experiment. The results demonstrate that the model is representative of the bulk, homogeneous structure of amorphous silicon.Keywords
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