The effect of open-core screw dislocations on photoluminescence in n-doped wurtzite GaN epilayer was studied computationally and compared with experimental data. A k•p Hamiltonian calculation domain was set up to contain a dipole of open-core screw dislocations, and its size was varied according to the desired dislocation density. Using the finite element method, energy levels and wave functions for conduction and valence states were determined in three-dimensional real space; the emission spectrum was then evaluated. The void associated with the dislocation core and the deformation potential due to the strain surrounding the core perturb the density of states and reduce the photoluminescence spectrum intensity accordingly. For dislocation densities below a transition density of around 108/cm2, the deformation potential effect dominates in reducing the photoluminescence intensity; above this dislocation density the effect of the missing material at the core dominates. The calculated photoluminescence results agree with experimental near-band edge PL intensity data well. Both the experimental and calculated photoluminescence spectra indicated a significant reduction in the optical response for a dislocation density larger than 107/cm2.

Effect of Screw Dislocation Density on Optical Properties in n-Type Wurtzite GaN. J.H.You, H.T.Johnson: Journal of Applied Physics, 2007, 101[2], 023516 (6pp)