Hydrogen-surfactant-assisted coherent growth of GaN on ZnO substrate

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Heterostructures of wurtzite based devices have attracted great research interest because of the tremendous success of GaN in light emitting diodes (LED) industry. High-quality GaN thin films on inexpensive and lattice matched ZnO substrates are both commercially and technologically desirable. Intrinsic wetting conditions, however, forbid such heterostructures as the energy of ZnO polar surfaces is much lower than that of GaN polar surfaces, resulting in 3D growth mode and poor crystal quality. Based on first-principles calculations, we propose the use of surfactant hydrogen to dramatically alter the growth mode of the heterostructures. Stable H-involved surface configurations and interfaces are investigated with the help of our newly developed modelling techniques. The temperature and chemical potential dependence of our proposed strategy, which is critical in experiments, is predicted by applying the experimental Gibbs free energy of ${\mathrm{H}}_{2}$. Our thermodynamic wetting condition analysis is a crucial step for the growth of GaN on ZnO, and we find that introducing H will not degrade the stability of ZnO substrate. This approach will allow the growth of high-quality GaN thin films on ZnO substrates. We believe that our new strategy may reduce the manufactory cost, improve the crystal quality, and improve the efficiency of GaN-based devices.