We develop an ab initio formalism for dipolar electron-phonon interactions (EPIs) in two-dimensional (2D) materials. Unlike the purely longitudinal Fröhlich model, we show that the out-of-plane dipoles also contribute to the long-wavelength nonanalytical behavior of EPIs. And the 2D dipolar EPI plays an important role not only in the typical polar material ${\text{MoS}}_2$, but also in graphane and fluorinated graphene. By incorporating this formalism into Wannier-Fourier interpolation, we enable accurate EPI calculations for 2D materials and subsequent intrinsic carrier mobility prediction. The results show that the Fröhlich model is inadequate for 2D materials and a correct long-wavelength interaction must be included for a reliable prediction.

• Received 29 September 2020
• Revised 30 December 2020
• Accepted 19 January 2021

DOI:https://doi.org/10.1103/PhysRevB.103.075410