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

Journal Article · Wed Apr 15 00:00:00 EDT 2015 · Journal of Experimental and Theoretical Physics

DOI:https://doi.org/10.1134/S1063776115040184· OSTI ID:22472314

Coutinho, J. ^[1]; Rayson, M. J. ^[2]; Briddon, P. R. ^[3]

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1. University of Aveiro, Campus Santiago, I3N, Department of Physics (Portugal)
2. University of Surrey, Department of Chemistry (United Kingdom)
3. Newcastle University, School of Electrical, Electronic and Computer Engineering (United Kingdom)

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.

• OSTI ID: 22472314
• Journal Information: Journal of Experimental and Theoretical Physics, Journal Name: Journal of Experimental and Theoretical Physics Journal Issue: 4 Vol. 120; ISSN JTPHES; ISSN 1063-7761
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BUCKLING
COULOMB FIELD
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
DISTANCE
GROUND STATES
SILICON
SURFACES