Current-induced forces in atomic-scale conductors

We present a self-consistent tight-binding formalism to calculate the force s on individual atoms due to the flow of electrical current in atomic-scale conductors. Simultaneously with the forces, the method yields the local cu rrent density and the local potential in the presence of current flow, allo wing a direct comparison between these quantities. The method is applicable to structures of arbitrary atomic geometry and can be used to model curren t-induced mechanical effects in realistic nanoscale junctions and wires. Th e formalism is implemented within a simple Is tight-binding model and is ap plied to two model structures; atomic chains and a nanoscale wire containin g a vacancy.