Influence of composition fluctuations and strain on gap bowing in InxGa1-xN - art. no. 085204

We present parameter-free calculations of electronic properties of InxGa1-x N alloys based on a generalized quasichemical approach and a pseudopotentia l-plane-wave method. The gap fluctuations in the alloy allow the definition of a minimum gap and an average gap with different bowing parameters. Biax ial strain drastically reduces the gap fluctuations, resulting in a reducti on of the bowing. The different gaps and the strain influence investigated here provide an explanation for the discrepancies found in the experimental values of the bowing parameter.