Origin of current-induced forces in an atomic gold wire: A first-principles study

Mads Brandbyge, Kurt Stokbro, Jeremy Philip Taylor, José-Luis Mozos, Pablo Ordejó

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    Abstract

    We address the microscopic origin of the current-induced forces by analyzing results of first principles density functional calculations of atomic gold wires connected to two gold electrodes with different electrochemical potentials. We find that current induced forces are closely related to the chemical bonding, and arise from the rearrangement of bond charge due to the current flow. We explain the current induced bond weakening/strengthening by introducing bond charges decomposed into electrode components.
    Original languageEnglish
    JournalPhysical Review B Condensed Matter
    Volume67
    Issue number19
    Pages (from-to)193104
    ISSN0163-1829
    DOIs
    Publication statusPublished - 2003

    Bibliographical note

    Copyright (2003) American Physical Society

    Keywords

    • ELECTRONIC POPULATION ANALYSIS
    • LCAO
    • MOLECULAR WAVE FUNCTIONS

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