Origin Of Current-Induced Forces In An Atomic Gold Wire: A First Principles Study

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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.