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

Abstract

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}

Authors:
 [1];  [2]; ;  [3];  [1]
  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)
Publication Date:
OSTI Identifier:
362708
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter
Additional Journal Information:
Journal Volume: 60; Journal Issue: 8; Other Information: PBD: Aug 1999
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SILICON COMPOUNDS; SILICON CARBIDES; SURFACES; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS METHOD; SEMICONDUCTOR MATERIALS; STRUCTURAL MODELS

Citation Formats

Pizzagalli, L, Catellani, A, Galli, G, Gygi, F, and Baratoff, A. Theoretical study of the (3{times}2) reconstruction of {beta}-SiC(001). United States: N. p., 1999. Web. doi:10.1103/PhysRevB.60.R5129.
Pizzagalli, L, Catellani, A, Galli, G, Gygi, F, & Baratoff, A. Theoretical study of the (3{times}2) reconstruction of {beta}-SiC(001). United States. https://doi.org/10.1103/PhysRevB.60.R5129
Pizzagalli, L, Catellani, A, Galli, G, Gygi, F, and Baratoff, A. Sun . "Theoretical study of the (3{times}2) reconstruction of {beta}-SiC(001)". United States. https://doi.org/10.1103/PhysRevB.60.R5129.
@article{osti_362708,
title = {Theoretical study of the (3{times}2) reconstruction of {beta}-SiC(001)},
author = {Pizzagalli, L and Catellani, A and Galli, G and Gygi, F and Baratoff, A},
abstractNote = {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}},
doi = {10.1103/PhysRevB.60.R5129},
url = {https://www.osti.gov/biblio/362708}, journal = {Physical Review, B: Condensed Matter},
number = 8,
volume = 60,
place = {United States},
year = {1999},
month = {8}
}