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Buckling of reconstruction elements of the edges of triple steps on vicinal Si(111) surfaces

Lookup NU author(s): Dr Jose Coutinho, Dr Mark Rayson, Professor Patrick Briddon


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The structure of steps with a height of three (111) interplanar distances on vicinal Si(111) surfaces has been analyzed through density functional theory calculations. It has been shown that several stable atomic configurations are possible depending on the buckling of the reconstruction elements of edges of the steps on the surface. It has been found that the direction of the buckling of reconstruction elements in the ground state of the surface is determined by the Coulomb interaction with their nearest atomic environment.

Publication metadata

Author(s): Zhachuk RA, Coutinho J, Rayson MJ, Briddon PR

Publication type: Article

Publication status: Published

Journal: Journal of Experiemental and Theoretical Physics

Year: 2015

Volume: 120

Issue: 4

Pages: 632-637

Print publication date: 01/04/2015

Online publication date: 27/05/2015

ISSN (print): 1063-7761

ISSN (electronic): 1090-6509

Publisher: Springer


DOI: 10.1134/S1063776115040184


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Funder referenceFunder name
14-02-00181Russian Foundation for Basic Research
PEst-C/CTM/LA0025/2011Fundacao para a Ciencia e a Tecnologia, Portugal
PTDC/CTM-ENE/1973/2012Fundacao para a Ciencia e a Tecnologia, Portugal