Enhanced radial growth of Mg doped GaN nanorods: A combined experiment and first-principles based analysis

We discuss the microstructural origin of enhanced radial growth in magnesium (Mg) doped gallium nitride (GaN) nanorods (NRs) using electron microscopy and \textit{first-principles} Density Functional Theory calculations. Experimentally, we find the Mg incorporation increases surface coverage of the grown samples and the height of NRs decreases as a consequence of an increase radial growth rate. We also observed the coalescence of NRs becomes prominent and the critical height of coalescence decreases with the increase in Mg concentration. From \textit{first-principles} calculations, we find the surface free energy of Mg doped surface reduces with increasing Mg concentration in the samples. The calculations further suggests a reduction in the diffusion barrier of Ga adatoms along [11$\overline{2}$0] on the side wall surface of the NRs, possibly the primary reason for the observed enhancement in the radial growth.