@article{li_mullen_jin_borysenko_buongiorno nardelli_kim_2013, title={Intrinsic electrical transport properties of monolayer silicene and MoS2from first principles}, volume={87}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.87.115418}, DOI={10.1103/physrevb.87.115418}, abstractNote={The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS${}_{2}$ by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the results illustrate that 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 $sp$${}^{2}$ $\ensuremath{\pi}$ bonding between Si atoms, contributes to the high scattering rate and significant degradation in electron transport. In MoS${}_{2}$, 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 $\ensuremath{\Gamma}$ and $K$ 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.}, number={11}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Li, Xiaodong and Mullen, Jeffrey T. and Jin, Zhenghe and Borysenko, Kostyantyn M. and Buongiorno Nardelli, M. and Kim, Ki Wook}, year={2013}, month={Mar} }
 @article{borysenko_mullen_barry_paul_semenov_zavada_nardelli_kim_2010, title={First-principles analysis of electron-phonon interactions in graphene}, volume={81}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.81.121412}, DOI={10.1103/physrevb.81.121412}, abstractNote={The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane phonon branches and must be considered simultaneously. Moreover, the calculated scattering rates suggest an acoustic phonon contribution that is much weaker than previously thought, revealing the role of optical phonons even at low energies. Accordingly it is predicted, in good agreement with a recent measurement, that the intrinsic mobility of graphene may be more than an order of magnitude larger than the high values reported in suspended samples.}, number={12}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Borysenko, K. M. and Mullen, J. T. and Barry, E. A. and Paul, S. and Semenov, Y. G. and Zavada, J. M. and Nardelli, M. Buongiorno and Kim, K. W.}, year={2010}, month={Mar} }