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Energetics of silicon nanowires: a molecular dynamics investigation
Author(s) -
Menezes R. D.,
Justo J. F.,
Assali L. V. C.
Publication year - 2007
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200675204
Subject(s) - nanowire , molecular dynamics , context (archaeology) , silicon , energetics , facet (psychology) , scaling , materials science , silicon nanowires , nanotechnology , chemical physics , statistical physics , physics , computational chemistry , chemistry , thermodynamics , geometry , optoelectronics , psychology , paleontology , social psychology , personality , mathematics , big five personality traits , biology
Silicon nanowires, with the 〈100〉 and 〈110〉 growth directions and at several surface facet configurations, were investigated by molecular dynamics simulations. We considered three commonly used interatomic potentials for silicon, and tested the reliability of each model to describe silicon nanowires. We find that, for each growth direction, the facet family plays a central role on the nanowire energy, which follows a universal scaling law as a function of the nanowire perimeter. Those results were discussed in the context of recent experimental and ab initio data. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)