Simulation and Experiment for Growth of High-Quality and Large-Size AlN Seed Crystals by Spontaneous Nucleation.

Seed crystals are the prerequisite for the growth of high quality and large size aluminum nitride (AlN) single crystal boules. The physical vapor transport (PVT) method is adopted to grow AlN seed crystal. However, this method is not available in nature. Herein, the temperature field distribution in the PVT furnace was simulated using the numerical analysis method to obtain free-standing and large-size seeds. The theoretical studies indicate that the temperature distribution in the crucible is related to the crucible height. According to the theory of growth dynamics and growth surface dynamics, the optimal thermal distribution was achieved through the design of a specific crucible structure, which is determined by the ratio of top-heater power to main-heater power. Moreover, in our experiment, a sole AlN single crystal seed with a length of 12 mm was obtained on the tungsten (W) substrate. The low axial temperature gradient between material source and substrate can decrease the nucleation rate and growth rate, and the high radial temperature gradient of the substrate can promote the expansion of crystal size. Additionally, the crystallinity of the crystals grown under different thermal field conditions are analyzed and compared. The Raman results manifest the superiority of the thermal inversion method in the growth of high quality AlN single crystal.