Journal article · Preprint article
Inelastic scattering and local heating in atomic gold wires
Department of Micro- and Nanotechnology, Technical University of Denmark1
Theoretical Nanoelectronics Group, Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark2
Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark3
Université Paul Sabatier Toulouse III4
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.
Language: | English |
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Year: | 2004 |
Pages: | 256601 |
ISSN: | 10797114 and 00319007 |
Types: | Journal article and Preprint article |
DOI: | 10.1103/PhysRevLett.93.256601 |
ORCIDs: | Brandbyge, Mads and Jauho, Antti-Pekka |