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

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.
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)
  2. University of Aveiro, Campus Santiago, I3N, Department of Physics (Portugal)
  3. University of Surrey, Department of Chemistry (United Kingdom)
  4. Newcastle University, School of Electrical, Electronic and Computer Engineering (United Kingdom)
Publication Date:
OSTI Identifier:
22472314
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Experimental and Theoretical Physics; Journal Volume: 120; Journal Issue: 4; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BUCKLING; COULOMB FIELD; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; DISTANCE; GROUND STATES; SILICON; SURFACES