Tavazza, F.
, Barzilai, S.
, Smith, D.
and Levine, L.
(2013),
The increase in conductance of a gold single atom chain during elastic elongation, Journal of Physics: Condensed Matter, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=910554
(Accessed September 12, 2024)
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The increase in conductance of a gold single atom chain during elastic elongation
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Abstract
The conductance of monoatomic gold wires has been studied using ab initio calculations and the transmission was found to vary with the elastic strain. Counter-intuitively, the conductance was found to increase for the initial stages of the elongation, where the structure has a zigzag shape and the bond angles increase from 140° toward 160°. After a certain elongation limit, where the angles are relatively high, the bond length elongation reverses this trend and the conductance decreases. These simulations are in good agreement with previously unexplained experimental results.Citation
Journal of Physics: Condensed Matter
Pub Type
Journals
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Keywords
nanowires, DFT, quantum conductance
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Created February 6, 2013, Updated October 12, 2021