Theoretical Study of Si and N Adsorption on the Si-terminated SiC (001) Surface
We report the results of first principles molecular dynamics simulations of the adsorption of Si and N atoms on a Si-terminated p(2 x 1) SiC(001) surface. In particular, we discuss different structural models for the Si-rich (3 x 2) surface, and the adsorption of 1/8, 1/2 and 1 monolayer nitrogen on the p(2 x 1) surface. Our simulations show that a SiC(001)-p(2 x 1) surface covered by a nitrogen monolayer is an inert substrate which inhibits growth.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE Office of Defense Programs (DP) (US)
- DOE Contract Number:
- W-7405-Eng-48
- OSTI ID:
- 793566
- Report Number(s):
- UCRL-JC-136232; TRN: US200221%%198
- Resource Relation:
- Journal Volume: 06; Journal Issue: 06; Conference: International Conference on Semiconductor and Oxide Surfaces, Vancouver, British Columbia (CA), 07/26/1999--07/30/1999; Other Information: PBD: 26 Oct 1999
- Country of Publication:
- United States
- Language:
- English
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