Bulletin of the American Physical Society
APS March Meeting 2018
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session P29: Electrons, Phonons, Electron Phonon Scattering and Phononics II
2:30 PM–5:30 PM,
Wednesday, March 7, 2018
LACC Room: 406A
Sponsoring Units: DCOMP DMP
Chair: Vidvuds Ozolins, Yale Univ
Abstract: P29.00005 : First-principles study of intrinsic mobilities in monolayer TMDs with two-dimensional Fröhlich interaction*
3:42 PM–3:54 PM
In previous first-principles calculations of two-dimensional (2D) polar materials, the Fröhlich interaction has not been considered due to the lack of effective treatment to isolate the layers. By introducing the truncated Coulomb interactions into Wannier function interpolation, we successfully capture the converged long-range coupling of longitudinal optical (LO) phonons and calculate the intrinsic mobilities of 2H-monolayer TMDs. For MoS2 and WS2, the decrease caused by polar effect is small as the dominant scattering is from longitudinal acoustic (LA) phonons, while for MoSe2, MoTe2 and WSe2, the decrease is large due to the comparable contribution from LO phonons. The WS2 has the largest mobilities, while the MoTe2 has the smallest mobilities which are much smaller than previous estimations. The mode dependent analysis shows the mean free paths are smaller than 20 nm at room temperature.
*We acknowledge support from Natural Science Foundation of Guangdong Province under Grant No. 2017A030310377 and Shenzhen City under Grant No. JCYJ20170412105922384. J. Ma also acknowledges the support from China Postdoctoral Science Foundation funded project (No. 2017M612707).
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