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1 Conference paper

First-principles theory of inelastic transport in atomic gold wires

Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads; Jauho, Antti-Pekka

Year: 2005

Language: English

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2 Other

First‐principles Theory of Inelastic Transport and Local Heating in Atomic Gold Wires

Frederiksen, Thomas; Paulsson, Magnus; Brandbyge, Mads; Jauho, Antti‐Pekka

Aip Conference Proceedings — 2007, Volume 893, Issue 1, pp. 727-728

We present theoretical calculations of the inelastic transport properties in atomic gold wires. Our method is based on a combination of density functional theory and non‐equilibrium Green’s functions. The vibrational spectra for extensive series of wire geometries have been calculated using SIESTA

Year: 2007

Language: Undetermined

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