Theoretical estimation of static charge fluctuation in amorphous silicon
- 15 May 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 37 (15) , 9069-9071
- https://doi.org/10.1103/physrevb.37.9069
Abstract
A quantum-chemical method has been developed to determine charge fluctuations in finite aperiodic clusters of amorphous silicon. Calculated atomic net charges are in a close linear relationship to bond-angle distortions involving first and second neighbors. Applying this relationship to a continuous-random-network model of 216 silicon atoms proposed by Wooten et al., we obtained 0.021 electron units for the rms deviation from charge neutrality.Keywords
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