Inelastic scattering and local heating in atomic gold wires

Publication: Research - peer-reviewJournal article – Annual report year: 2004

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We present a method for including inelastic scattering in a first-principles density-functional computational scheme for molecular electronics. As an application, we study two geometries of four-atom gold wires corresponding to two different values of strain and present results for nonlinear differential conductance vs device bias. Our theory is in quantitative agreement with experimental results and explains the experimentally observed mode selectivity. We also identify the signatures of phonon heating.
Original languageEnglish
JournalPhysical Review Letters
Publication date2004
Volume93
Issue25
Pages256601
ISSN0031-9007
DOIs
StatePublished

Bibliographical note

Copyright (2004) American Physical Society.

CitationsWeb of Science® Times Cited: 143

Keywords

  • TRANSPORT, CONDUCTANCE, SPECTROSCOPY, MOLECULE, ELECTRON-PHONON INTERACTION
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