Interfacial properties of borophene contacts with two-dimensional semiconductors

Abstract

The interfacial properties of β₁₂ phase borophene contacts with other common two-dimensional materials (transition-metal dichalcogenides, group IV-enes and group V-enes) have been systematically studied using a density functional theory (DFT) method. The zero tunneling barrier is found for all of the investigated β₁₂ phase borophene contacts except for the case of β₁₂ borophene/graphene. The chemically reactive properties and high work function (4.9 eV) of the stable β₁₂ borophene lead to the formation of Ohmic contacts with silicene, germanene, stanene, black phosphorene, arsenene and antimonene. The advantage of the zero tunnel barrier remains when changing the borophene from the β₁₂ phase to the Δ phase. Therefore, a high carrier injection rate is expected in these borophene contacts. Our study provides guidance on borophene for future two dimensional materials based device designs.