Theoretical Prediction of Heterogeneous Integration of Dissimilar Semiconductor with Various Ultra-Thin Oxides and 2D Materials

Abstract

In this paper, we build a numerical p-n Si/GaAs heterojunction model using quantum-mechanical tunneling theory with various quantum tunneling interfacial materials including two-dimensional (2D) materials such as hexagonal boron nitride (h-BN) and graphene, and ALD-enabled oxide materials such as HfO2, Al2O3, and SiO2. Their tunneling efficiencies and tunneling currents with different thicknesses were systematically calculated and compared. Multiphysics modeling was used with the aforementioned tunneling interfacial materials to analyze changes in the strain under different temperature conditions. Considering the transport properties and thermal-induced strain analysis, Al2O3, among three oxide materials, and graphene in 2D materials are favorable material choices that offer the highest heterojunction quality. Overall, our results offer a viable route in guiding the selection of quantum tunneling materials for a myriad of possible combinations of new heterostructures that can be obtained with an ultra-thin tunneling intermediate layer.