Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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We derive and employ a semiclassical Langevin equation obtained from path integrals to describe the ionic dynamics of a molecular junction in the presence of electrical current. The electronic environment serves as an effective nonequilibrium bath. The bath results in random forces describing Joule heating, current-induced forces including the nonconservative wind force, dissipative frictional forces, and an effective Lorentz-type force due to the Berry phase of the nonequilibrium electrons. Using a generic two-level molecular model, we highlight the importance of both current-induced forces and Joule heating for the stability of the system. We compare the impact of the different forces, and the wide-band approximation for the electronic structure on our result. We examine the current-induced instabilities (excitation of runaway "waterwheel" modes) and investigate the signature of these in the Raman signals.
Original languageEnglish
JournalPhysical Review B (Condensed Matter and Materials Physics)
Publication date2012
Volume85
Issue24
PagesPaper 245444
Number of pages16
ISSN1098-0121
DOIs
StatePublished

Bibliographical note

©2012 American Physical Society

CitationsWeb of Science® Times Cited: 11

Keywords

  • Physics, Electron-Tunneling Spectroscopy, Molecular-Transport Junctions, Current-Induced Forces, Gold Atoms, Conductance, Contacts, Microscopy, Scattering, Energy, Motion
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