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

Author

Listed:
  • 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)

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.

Suggested Citation

  • L. Pizzagalli & A. Catellani & G. Galli & F. Gygi & A. Baratoff, 1999. "THEORETICAL STUDY OF Siand N ADSORPTION ON THE Si-TERMINATED SiC(001) SURFACE," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 6(06), pages 1143-1150.
    • Handle: RePEc:wsi:srlxxx:v:06:y:1999:i:06:n:s0218625x99001268
    DOI: 10.1142/S0218625X99001268
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