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The increase in conductance of a gold single atom chain during elastic elongation

Published

Author(s)

Francesca Tavazza, Shmuel Barzilai, Douglas T. Smith, Lyle E. Levine

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

Keywords

nanowires, DFT, quantum conductance

Citation

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 May 27, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created February 6, 2013, Updated October 12, 2021