Non-linear optics at twist interfaces in h-BN/SiC heterostructures

TL;DR

This study demonstrates that nanocrystalline h-BN films on SiC substrates exhibit twist-dependent nonlinear optical properties, offering a scalable alternative to twisted 2D heterostructures for advanced nanophotonic applications.

Contribution

It introduces a simple, scalable method to create twist-dependent properties using nanocrystalline 2D films on 3D substrates, bypassing the need for precise angular control in layered systems.

Findings

Strong second-harmonic generation observed in nanocrystalline h-BN

Ultra-low cross-plane thermal conductivity at room temperature

First-principles calculations show significant optical nonlinearity in twisted layers

Abstract

Understanding the emergent electronic structure in twisted atomically thin layers has led to the exciting field of twistronics. However, practical applications of such systems are challenging since the specific angular correlations between the layers must be precisely controlled and the layers have to be single crystalline with uniform atomic ordering. Here, we suggest an alternative, simple and scalable approach where nanocrystalline two-dimensional (2D) film on three-dimensional (3D) substrates yield twisted-interface-dependent properties. Ultrawide-bandgap hexagonal boron nitride (h-BN) thin films are directly grown on high in-plane lattice mismatched wide-bandgap silicon carbide (4H-SiC) substrates to explore the twist-dependent structure-property correlations. Concurrently, nanocrystalline h-BN thin film shows strong non-linear second-harmonic generation and ultra-low cross-plane thermal conductivity at room temperature, which are attributed to the twisted domain edges between van der Waals stacked nanocrystals with random in-plane orientations. First-principles calculations based on time-dependent density functional theory manifest strong even-order optical nonlinearity in twisted h-BN layers. Our work unveils that directly deposited 2D nanocrystalline thin film on 3D substrates could provide easily accessible twist-interfaces, therefore enabling a simple and scalable approach to utilize the 2D-twistronics integrated in 3D material devices for next-generation nanotechnology.