AB INITIOSTUDY OF INDIUM QUANTUM WIRE FORMATION ON FLAT AND STEPPEDSi(100)SURFACES

Xian-Qi Dai, Wei-Wei Ju, M. H. Xie and S. Y. Tong
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Xian-Qi Dai: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China;
Wei-Wei Ju: Department of Physics, Henan Normal University, Xinxiang, Henan 453007, China
M. H. Xie: Department of Physics, The University of Hong Kong, Hong Kong, China
S. Y. Tong: Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, China

Surface Review and Letters (SRL), 2005, vol. 12, issue 04, 483-487

Abstract: Usingab initiototal energy calculations, we have studied the formation of indium(In)wires on flat and steppedSi(100)-(2×1)surfaces at low coverage. On flatSi(100), two possible orientations ofInwires are examined: (i) the wire is perpendicular to the underlyingSidimer rows, and (ii) the wire is parallel to the underlyingSidimer rows. Total energy optimization shows that the energetically favored orientation is where theInwire is perpendicular to the underlyingSidimer rows, i.e. the wire is oriented along the[$1\bar{1}0$]direction. We have also considered two neighboring wires and determined the repulsive force between the two wires. On steppedSi(100)surfaces, the influence ofSAandSBsteps onInwire formation is investigated. The calculations suggest thatInwires are likely to form at positions away fromSAsteps but close toSBsteps.

Keywords: ab initio; indium; silicon; quantum wires; step; 68.43.Bc; 71.55.Eq; 68.65.La (search for similar items in EconPapers)
Date: 2005
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DOI: 10.1142/S0218625X0500730X

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