Tavazza, F.
, Hasmy, A.
, Levine, L.
, Chaka, A.
, Rincon, L.
, Marquez, M.
and Gonzalez, C.
(2008),
Crystal Asymmetry Induces Single-Atom Chain Formation in Gold Nanowires, Physical Review Letters
(Accessed September 8, 2024)
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Crystal Asymmetry Induces Single-Atom Chain Formation in Gold Nanowires
Published
Author(s)
, A Hasmy, , , , M Marquez,
Abstract
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires along the [110] crystal orientation. We determined that the chain formation can occur only when the crystal symmetry is broken in the early stages of the elongation process. Such crystallographic asymmetry can be induced by stretching the wire along a slightly off-axis tensile direction or by introducing thermal fluctuations. Our observation of the off-axis formation of these chains agrees with experimental findings.Citation
Physical Review Letters
Pub Type
Journals
Keywords
density functional theroy, goold, molecular dynamics, nanowire, tensile deformation, tight binding
Citation
Issues
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Created October 16, 2008