Abstract

In this work we review basic aspects of multiscale approaches for combining atomistic with continuous media descriptions and quantum mechanical with semiclassical drift---diffusion transport models for LED simulations. We show how hybrid coupling of the Green's function formalism with drift---diffusion simulations can give additional insight into device behaviour without compromising too much computational efficiency, and that the inclusion of atomistic tight-binding calculations in a multiscale framework can help in understanding specific features related to alloy fluctuations.

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