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.
Original language | English |
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Article number | 402203 |
Number of pages | 6 |
Journal | Journal of Physics: Condensed Matter |
Volume | 24 |
Issue number | 40 |
Early online date | 18 Sept 2012 |
DOIs | |
Publication status | Published - 2012 |
ASJC Scopus subject areas
- Condensed Matter Physics
- General Materials Science