Contact Properties of Two-Dimensional Semiconductor As<sub>2</sub>C<sub>3</sub> with Metals and Semimetals
Bo Huang, Jingying Yang, Xiang Liu, Zhen‐Kun Tang, Liemao Cao
Abstract
The two-dimensional semiconductor As 2 C 3, known for its ultrahigh carrier mobility of up to 4.45 × 10 5 cm 2 V –1 s –1, holds significant potential for next-generation nanoelectronic devices. Selecting the appropriate electrodes is crucial for minimizing contact resistance and enhancing device performance. Using first-principles calculations, we systematically analyze the interface characteristics of As 2 C 3 in conjunction with a range of metallic and semimetallic electrodes. Our findings indicate that both As 2 C 3 /Au and As 2 C 3 /Bi form efficient Ohmic contacts. At the same time, As 2 C 3 /graphene exhibits a Schottky contact, where the Schottky barrier height (SBH) can be tuned through external electric fields and vertical strain. Additionally, As 2 C 3 /NbS 2 and As 2 C 3 /Sc demonstrate extremely low SBH, classifying them as quasi-Ohmic contacts. Notably, Sc-based contacts facilitate electron tunneling with probabilities reaching up to 100%. Upon contact with Au and Sc, a pronounced Fermi-level pinning (FLP) effect is observed in As 2 C 3 . These results offer valuable insights for the development and optimization of advanced As 2 C 3 -based electronic devices.