# Finished Projects (All Topics)

However, a full DFT treatment of the phonons is rarely needed. It is sufficient to set up an empirical model for the interatomic interactions and calculate the phonons from the model, and use DFT calculations to determine the parameters in the model. The basic idea of the Coulomb-Hook model is to use charge-charge Coulomb interactions in addition to Hook's law for next-neighbor interactions. We have extended this approach to included anisotropic Born charges. [more]

_{x}Ga

_{1-x}N growth for the technologically relevant (0001) and (0001) growth planes by means of density functional theory calculations. [more]

_{x}Ga

_{1-x}N epilayers. To this end, we have developed an effective crystal growth modeling technique in order to elucidate the growth processes of InGaN epilayers on the atomic scale. Our growth simulations reveal a hitherto unexpected √3×√3 pattern in In

_{1/3}Ga

_{2/3}N epilayer structures.

[more]