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



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


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.
Journal of Physics: Condensed Matter


nanowires, DFT, quantum conductance


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], (Accessed May 27, 2024)


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Created February 6, 2013, Updated October 12, 2021