2D Violet phosphorene with highly anisotropic mobility and its vdW heterojunction design for device applications

Abstract

Recently, the crystal structure of violet phosphorus and its monolayer violet phosphorene (VP) have been reconfirmed experimentally, and they were verified to be more thermally stable than their allotrope, black phosphorus. Here, we calculated the carrier mobility of monolayer VP using density functional theory. It is found that the carrier mobility is highly anisotropic and the hole mobility reaches 9.86 × 10³ cm² V⁻¹ s⁻¹ in the a-direction, endowing the potential application of VP in p-type semiconductor channel materials. Moreover, the Schottky barrier of the graphene/VP heterojunction turns into an ohmic contact when the electric field strength is >2 V nm⁻¹. Therefore, VP and graphene/VP heterojunctions have potential prospects in electronic devices.