The Intrinsic Carrier Mobility in Two-Dimensional Semiconductors

Two-dimensional (2D) semiconductors have attracted great interest for next-generation electronics and optoelectronics. However, they typically have a low mobility of electrons/holes, compared with Si/III-V semiconductors. Here I will discuss our recent theoretical understandings of the mobility-limiting factors in 2D semiconductors [1], and strategies of increasing the mobility. These results are based on the calculation of electron-phonon coupling matrix using density functional perturbation theory and the Wannier interpolation, as well as the Boltzmann transport theory. Moreover, I will also present a new approach for decoupling the entangled phonons to standard phonon modes [2], to analyze the electron-phonon coupling.
[1] Long Cheng, Yuanyue Liu, “What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?”, JACS, 2018, DOI: 10.1021/jacs.8b07871
[2] Long Cheng, Chenmu Zhang, Yuanyue Liu, in preparation, 2018