THEORETICAL STUDY OF Siand N ADSORPTION ON THE Si-TERMINATED SiC(001) SURFACE

L. Pizzagalli (), A. Catellani, G. Galli, F. Gygi and A. Baratoff
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L. Pizzagalli: Lawrence Livermore National Laboratory, L-415, PO Box 808, Livermore, CA 94550, USA
A. Catellani: NR-MASPEC, Via Chiavari 18/A, I-43100 Parma, Italy
G. Galli: Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94550, USA
F. Gygi: Lawrence Livermore National Laboratory, PO Box 808, Livermore, CA 94550, USA
A. Baratoff: Department of Physics and Astronomy, Basel University, Klingelbergstr. 82, CH-4056 Basel, Switzerland

Surface Review and Letters (SRL), 1999, vol. 06, issue 06, 1143-1150

Abstract: We report the results of first principles molecular dynamics simulations of the adsorption of Si and N atoms on a Si-terminated p(2×1) SiC(001) surface. In particular, we discuss different structural models for the Si-rich (3×2) surface, and the adsorption of 1/8, 1/2 and 1 monolayer nitrogen on the p(2×1) surface. Our simulations show that a SiC(001)-p(2×1) surface covered by a nitrogen monolayer is an inert substrate which inhibits growth.

Date: 1999
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DOI: 10.1142/S0218625X99001268

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