Length matters: Keeping atomic wires in check

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Dynamical effects of non-conservative forces in long, defect free atomic wires are investigated. Current flow through these wires is simulated and we find that during the initial transient, the kinetic energies of the ions are contained in a small number of phonon modes, closely clustered in frequency. These phonon modes correspond to the waterwheel modes determined from preliminary static calculations. The static calculations allow one to predict the appearance of non-conservative effects in advance of the more expensive real-time simulations. The ion kinetic energy redistributes across the band as non-conservative forces reach a steady state with electronic factional forces. The typical ion kinetic energy is found to decrease with system length, increase with atomic mass, and its dependence on bias, mass and length is supported with a pen and paper model. This paper highlights the importance of non-conservative forces in current carrying devices and provides criteria for the design of stable atomic wires.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
PublisherMaterials Research Society
Pages96-101
Number of pages6
Volume1753
ISBN (Print)9781510806283
DOIs
Publication statusPublished - 2015
Event2014 MRS Fall Meeting - Boston, United States
Duration: 30 Nov 201405 Dec 2014

Conference

Conference2014 MRS Fall Meeting
CountryUnited States
CityBoston
Period30/11/201405/12/2014

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

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