222 citations · 1.1k across the 20 of their papers we have counts for
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On the properties of surface reconstructed silicon nanowires
R. Rurali, N. Lorente
We study by means of density-functional calculations the role of lateral surface reconstructions in determining the electrical properties of <100> silicon nanowires. The different…
Metallic and semi-metallic <100> silicon nanowires
R. Rurali, N. Lorente
Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a l…
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…
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…