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We calculate the effect of electron-vibration coupling on conduction throughatomic gold wires, which was measured in the experiments of Agra\"it et al.[Phys. Rev. Lett. 88, 216803 (2002)]. The vibrational modes, the couplingconstants, and the inelastic transport are all calculated using a tight-bindingparametrization and the non-equilibrium Green function formalism. Theelectron-vibration coupling gives rise to small drops in the conductance atvoltages corresponding to energies of some of the vibrational modes. We studysystematically how the position and height of these steps vary as a linear wireis stretched and more atoms are added to it, and find a good agreement with theexperiments. We also consider two different types of geometries, which arefound to yield qualitatively similar results. In contrast to previouscalculations, we find that typically there are several close-lying drops due todifferent longitudinal modes. In the experiments, only a single drop is usuallyvisible, but its width is too large to be accounted for by temperature.Therefore, to explain the experimental results, we find it necessary tointroduce a finite broadening to the vibrational modes, which makes theseparate drops merge into a single, wide one. In addition, we predict how thesignatures of vibrational modes in the conductance curves differ between linearand zigzag-type wires.Comment: 19 pages, 12 figure

Electron-vibration interaction in transport through atomic gold wires