Theoretical study of the (3{times}2) reconstruction of {beta}-SiC(001)

Journal Article · Sun Aug 01 00:00:00 EDT 1999 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.60.R5129· OSTI ID:362708

Pizzagalli, L ^[1]; Catellani, A ^[2]; Galli, G; Gygi, F ^[3]; Baratoff, A ^[1]

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1. Department of Physics and Astronomy, Basel University, Klingelbergstrasse 82, CH-4056 Basel (Switzerland)
2. CNR-MASPEC, Parco Area delle Scienze, 37a, 43010 Parma (Italy)
3. Lawrence Livermore National Laboratory, Livermore, California 94551 (United States)

By means of {ital ab initio} molecular dynamics and band-structure calculations, as well as using calculated scanning tunneling microscopy (STM) images, we have singled out one structural model for the (3{times}2) reconstruction of the Si-terminated (001) surface of cubic SiC, among several proposed in the literature. This is an alternate dimer-row model, with an excess Si coverage of (1) /(3) , yielding STM images in good accord with recent measurements [F. Semond {ital et al.}, Phys. Rev. Lett. {bold 77}, 2013 (1996)]. {copyright} {ital 1999} {ital The American Physical Society}

• OSTI ID: 362708
• Journal Information: Physical Review, B: Condensed Matter, Vol. 60, Issue 8; Other Information: PBD: Aug 1999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SILICON COMPOUNDS
SILICON CARBIDES
SURFACES
CRYSTAL STRUCTURE
MOLECULAR DYNAMICS METHOD
SEMICONDUCTOR MATERIALS
STRUCTURAL MODELS