Theoretical analysis of the electronic structure of truncated-pyramidal GaN/AlN quantum dots

We present a theoretical analysis of the electronic structure of GaN/AlN quantum dots (QD) with a hexagonal, truncated-pyramidal shape. We use a Fourier-transform technique that we had previously developed to calculate the 3D strain and built-in electric fields due to the QD structure. The electron and hole energy levels and wavefunctions are then calculated in the framework of an 8-band k·P model (with zero spin–orbit splitting), using an efficient plane-wave expansion method. We show that because of the large built-in piezoelectric and spontaneous polarization fields, the calculated transition energy is sensitive to variations in the wetting layer width, pyramid top diameter and also to the values chosen for the piezo-electric constants and spontaneous polarization values of bulk GaN and AlN. Numerical results are presented for a set of GaN/AlN QD structures that have been studied experimentally and described in the literature. We find that the calculated value of the ground-state optical transition energy for these structures is in good agreement with experiment.