Abstract
We present a theory of the evolution of the electronic structure of GaAsN alloys, from the dilute impurity limit to the fully formed alloy. Using large scale empirical pseudopotential calculations, we show how substitutional nitrogen forms Perturbed Host States (PHS) inside the conduction band whereas small nitrogen aggregates form localized Cluster States (CS) in the band gap. By following the evolution of these states with increasing nitrogen composition we develop a model that explains many of the experimentally observed phenomena, including high effective masses, Stokes shift in emission versus absorption, and anomalous pressure dependence.
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