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

doi:https://doi.org/10.1103/PhysRevB.60.R5129

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

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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:

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

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

Publication Date:: 1999-08-01

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.

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                    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

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                    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.

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@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}

}

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https://doi.org/10.1103/PhysRevB.60.R5129

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