Inelastic scattering and local heating in atomic gold wires

Details Inelastic scattering and local heating in atomic gold wires Inelastic scattering and local heating in atomic gold wires

2004-10-27

arxiv.org/abs/cond-mat/0410700v2

Phys. Rev. Lett. 93, 256601 (2004)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 3 figures; minor changes, updated figures, final version published in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.93.256601

We present a method for including inelastic scattering in a first-principles density-functional computational scheme for molecular electronics. As an application, we study two geometries of four-atom gold wires corresponding to two different values of strain, and present results for nonlinear differential conductance vs. device bias. Our theory is in quantitative agreement with experimental results, and explains the experimentally observed mode selectivity. We also identify the signatures of phonon heating.

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