Molecular dynamics Monte Carlo simulations of grain boundary electron transport in {ital n}-silicon
- Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6032 (United States)
Electron transport in Si low-angle bicrystals is analyzed by a novel Monte Carlo molecular dynamics simulation scheme. The effect of discrete charges at the grain boundaries is studied and compared to results from one-dimensional treatments. The average grain boundary charge density strongly influences transport, and a field-dependent threshold effect is predicted. Details of the internal charge arrangement are shown to be quite important at low fields and/or high grain boundary charge densities. Substantial increases in current conduction are predicted at lower temperatures over the thermionic emission model. Finally, analyses of interacting grain boundaries indicate site-correlation effects and a strong dependence of conductivity on the separation distance. {copyright} {ital 1998 American Institute of Physics.}
- OSTI ID:
- 641600
- Journal Information:
- Journal of Applied Physics, Vol. 84, Issue 6; Other Information: PBD: Sep 1998
- Country of Publication:
- United States
- Language:
- English
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