An ignition key for atomic-scale engines

Abstract

A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational atomic motion with a large gain in kinetic energy. The activation exploits sharp features in the electronic structure, and constitutes, in effect, an ignition key for atomic-scale motors. A controlling factor for the effect is the non-equilibrium dynamical response matrix for small-amplitude atomic motion under current. This matrix can be found from the steady-state electronic structure by a simpler static calculation, providing a way to detect the likely appearance, or otherwise, of non-conservative dynamics, in advance of real-time modelling.

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Cited by in corpus (5)

• Current-induced forces: a simple derivation
• Real-time diagrammatic approach to current-induced forces: Application to quantum-dot based nanomotors
• Nonconservative dynamics in long atomic wires
• Emergence of negative viscosities and colored noise under current-driven Ehrenfest molecular dynamics
• Current-induced runaway vibrations in dehydrogenated graphene nanoribbons