  In this paper, we have built a numerical p-n Si/GaAs heterojunction model
using a quantum-mechanical tunneling theory with various quantum tunneling
interfacial materials including two-dimensional semiconductors 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
current with different thicknesses were systematically calculated and compared.
Multiphysics modeling was used with the aforementioned tunneling interfacial
materials to analyze changes in 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 the viable route to guide the selection of quantum tunneling materials
for myriad possible combinations of new heterostructures that can be obtained
via remote epitaxy and the UO method.
