Empirical interatomic potential for Si-H interactions
- 15 February 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 51 (8) , 4889-4893
- https://doi.org/10.1103/physrevb.51.4889
Abstract
An empirical many-body interatomic potential has been developed to describe Si-H interactions. The potential was fitted to various gas-phase silicon hydride species and interstitial sites of atomic hydrogen in bulk silicon, and gives a reasonable description of hydrogen-terminated silicon surfaces. The potential is computationally efficient and may be used, with caution, for molecular-dynamics investigations of Si-H interactions on hydrogen-terminated silicon surfaces and hydrogenated amorphous silicon.Keywords
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