Numerical simulation of temperature gradient effects on gallium nitride crystal growth by sodium-flux method

Abstract

During the growth of gallium nitride single crystals by sodium-flux method, temperature significantly impacts crystal quality. In this study, the mechanism of the effect of different temperature gradients on crystal growth is analyzed in depth using a combination of numerical simulation and experiment. The experimental results show that epitaxial growth of crystals occurs under positive temperature gradient conditions, while there is dissolution of seed crystals under negative temperature gradient conditions. The temperature, flow, and concentration data of the melted material during crystal growth were calculated using numerical simulation. The simulation findings reveal that the distribution of solution supersaturation varies according to temperature. High supersaturation at the bottom of the melt is favorable for crystal epitaxial growth on the surface of seed crystals under a positive temperature gradient. Meanwhile, low supersaturation at the top of the melt suppresses the hard polycrystalline layer here. Under negative temperature gradient conditions, low supersaturation at the bottom of the melt may lead to remelting of seed crystals, which is consistent with the experimental phenomenon. Furthermore, we propose an optimized heat source profile. This profile manages high supersaturation near seed crystals, aiding continuous growth. Finally, we have applied the curve in an applied way by proposing a multi-stage heating device, based on which the desired arbitrary temperature profile can be modulated. This research has broad applications in a variety of crystal growth experiments using fluid as the mother phase.