Mads Brandbyge

TL;DR: In this article, the authors present a multi-scale method which enables calculations of electronic currents in two-dimensional devices larger than 100 nm x 100 nm, where multiple perturbed regions described by density functional theory (DFT) are embedded into an extended unperturbed region described by a DFT-parametrized tight-binding (TB) model.

TL;DR: In this article, the authors present a general framework for simulating interfaces using an atomistic approach based on density functional theory and non-equilibrium Green's functions, including all the relevant ingredients, such as doping and an accurate value of the semiconductor band gap, required to model realistic metal-semiconductor interfaces.

TL;DR: In this paper , the authors present a simple, first principles scheme for calculating mechanical properties of nonequilibrium bulk systems assuming an ideal ballistic distribution function for the electronic states described by the external voltage bias.

TL;DR: In this article, the conductance distribution of up to 200 nm long silicon nanowires with different distributions of P dopant impurities was investigated and it was shown that the radial distribution of the dopants influences conductance properties significantly, which can be quantitatively predicted in terms of the scattering properties of the single dopant atoms.