Date: March 15, 2013
Creator: Li, Xiaodong; Mullen, Jeffrey T.; Jin, Zhenghe; Borysenko, Kostyantyn M.; Buongiorno Nardelli, Marco & Kim, Ki Wook
Description: Article on intrinsic electrical transport properties of monolayer silicene and MoS₂ from first principles. Abstract: The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS₂ by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the results illustrate the out-of-plane acoustic phonon mode may play the dominant role unlike its close relative, graphene. The small energy of this phonon mode, originating from the weak sp² π bonding between Si atoms, contributes to the high scattering rate and significant degradation in electron transport. In MoS₂, the longitudinal acoustic phonons show the strongest interaction with electrons. The key factor in this material appears to be the Q valleys located between the Γ and Κ points in the first Brillouin zone as they introduce additional intervalley scattering. The analysis also reveals the potential impact of extrinsic screening by other carriers and/or adjacent materials. Finally, the effective deformation potential constants are extracted for all relevant intrinsic electron-phonon scattering processes in both materials.
Contributing Partner: UNT College of Arts and Sciences