Mechanisms of Thru-Hole Survival in Multi-Stacked h-BN for Epitaxial Growth

Recent research by Jang et al. (Adv. Mater. Interfaces, 2023, 10(4), 2201406) highlights the potential of thru-hole epitaxy for aligning detachable domains with the crystallographic orientation of substrates using 2D h-BN mask materials. This approach is particularly advantageous for growing pristine, detachable GaN domains on thick h-BN stacks. Despite experimental success, the mechanisms governing thru-hole survival in multi-stacked h-BN layers remain unclear. To address this, we employed Monte Carlo simulations to investigate the survival probability and connectivity of thru-holes across successive layers of h-BN. Our simulations reveal that the shape and anisotropy of the holes critically influence their survival. In particular, anisotropic holes show a higher likelihood of maintaining connectivity through multiple layers, facilitating epitaxial connectedness. These results not only confirm the feasibility of thru-hole epitaxy in multi-layer stacks but also provide guidelines for optimizing growth conditions to enhance thru-hole persistence.