Inelastic scattering and local heating in atomic gold wires

Thomas Frederiksen, Mads Brandbyge, N. Lorente, Antti-Pekka Jauho

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    Abstract

    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.
    Original languageEnglish
    JournalPhysical Review Letters
    Volume93
    Issue number25
    Pages (from-to)256601
    ISSN0031-9007
    DOIs
    Publication statusPublished - 2004

    Bibliographical note

    Copyright (2004) American Physical Society.

    Keywords

    • TRANSPORT
    • CONDUCTANCE
    • SPECTROSCOPY
    • MOLECULE
    • ELECTRON-PHONON INTERACTION

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