Modeling challenges for high-efficiency visible light-emitting diodes

In order to predict through numerical simulation the optical and carrier transport properties of GaN-based light-emitting diodes (LEDs), a genuine quantum approach should be combined with an atomistic description of the electronic structure. However, computational considerations have elicited the empirical inclusion of quantum contributions within conventional semiclassical drift-diffusion approaches. The lack of first-principles validation tools has left these 'quantum corrections' largely untested, at least in the context of LED simulation. We discuss here the results obtained comparing state-of-The-Art commercial numerical simulators, in order to assess the predictive capabilities of some of the most important quantum-based models complementing the drift-diffusion equations.