Microscopic origin of light emission in Al_yGa_(1-y)N/GaN superlattice: Band profile and active site

We present first-principles calculations of AlGaN/GaN superlattice, clarifying the microscopic origin of the light emission and revealing the effect of local polarization within the quantum well. Profile of energy band and distributions of electrons and holes demonstrate the existence of a main active site in the well responsible for the main band-edge light emission. This site appears at the position where the local polarization becomes zero. With charge injection, the calculated optical spectra show that the broadening of the band gap at the active site leads to the blueshift of emission wavelength.