Theoretical approach to surface reconstruction of InN(0001) during raised-pressure metalorganic vapor-phase epitaxy

We investigated the surface reconstruction of InN(0001) during raised-pressure metalorganic vapor-phase epitaxy using an ab initio-based approach. We observed that the reconstructed structure changes from In-rich surfaces such as In bilayer and monolayer surfaces to an ideal surface with increasing growth temperature. In addition, we investigated the effects of surface reconstruction on the growth process using a newly improved thermodynamic analysis method. Although no barrier is present in the growth reaction when the In-rich surfaces appear, the results suggest that the surface phase acts as a barrier in the growth reaction when the ideal surface appears. Furthermore, we discuss the growth conditions that enable high-temperature growth with a smooth reaction path.