Inelastic Scattering and Local Heating in Atomic Gold Wires
- 14 December 2004
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 93 (25), 256601
- https://doi.org/10.1103/physrevlett.93.256601
Abstract
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.Keywords
All Related Versions
This publication has 30 references indexed in Scilit:
- The high-bias stability of monatomic chainsNanotechnology, 2004
- Vibronic Contributions to Charge Transport Across Molecular JunctionsNano Letters, 2004
- Inelastic Electron Tunneling Spectroscopy of an Alkanedithiol Self-Assembled MonolayerNano Letters, 2004
- Single-electron transistor of a single organic molecule with access to several redox statesNature, 2003
- Quantum properties of atomic-sized conductorsPhysics Reports, 2003
- Measurement of the conductance of a hydrogen moleculeNature, 2002
- Onset of Energy Dissipation in Ballistic Atomic WiresPhysical Review Letters, 2002
- Single-Molecule Vibrational Spectroscopy and MicroscopyScience, 1998
- Conductance of a Molecular JunctionScience, 1997
- Inelastic electron tunnelingPhysics Reports, 1977