most citedInelastic scattering and local heating in atomic gold wires

222 citations

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cond-mat.mes-hall2005★ 211 cited

Modeling inelastic phonon scattering in atomic- and molecular-wire junctions

Magnus Paulsson, Thomas Frederiksen, Mads Brandbyge

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The acc…

cond-mat.mes-hall2004★ 13 cited

Modeling of inelastic transport in one-dimensional metallic atomic wires

Thomas Frederiksen, Mads Brandbyge, Nicolas Lorente +1

Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite…

cond-mat.mes-hall2004★ 222 cited

Inelastic scattering and local heating in atomic gold wires

Thomas Frederiksen, Mads Brandbyge, Nicolas Lorente +1

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 geom…