Electronic Transport in 2D Chalcogenide Semiconductors

Many commonly-used 2D chalcogenide semiconductors suffer from low carrier mobility at room temperature. There is a critical need to understand the transport bottleneck and improve. Here I will present our recent progress in developing and apply first-principles methods to accurately calculate and understand the electronic transport in 2D chalcogenides, including both phonon and defect scatterings. I will also present new materials with improved transport properties.<br/>Ref: [1] Z. Xiao, R. Guo, C. Zhang, Y. Liu, “Point defects limited charge mobility in 2D transition metal dichalcogenides”, under review; [2] C. Zhang, R. Wang, H. Mishra, Y. Liu, “Discovering and Understanding 2D Semiconductors with High Intrinsic Charge Mobility at Room Temperature“, Phys. Rev. Lett., 2023, DOI: 10.1103/PhysRevLett.130.087001; [3] L. Cheng, C. Zhang, Y. Liu, “Why two-dimensional semiconductors generally have low electron mobility”, Phys. Rev. Lett., 2020, DOI: 10.1103/PhysRevLett.125.177701