Phonon-limited mobility in n -type single-layer MoS 2 from first principles

We study the phonon-limited mobility in intrinsic $n$-type single-layer MoS${}_{2}$ for temperatures $T>100$ K. The materials properties including the electron-phonon interaction are calculated from first principles and the deformation potentials and Fr\"ohlich interaction in single-layer MoS${}_{2}$ are established. The calculated room-temperature mobility of $\ensuremath{\sim}$410 cm${}^{2}$V${}^{\ensuremath{-}1}$s${}^{\ensuremath{-}1}$ is found to be dominated by optical phonon scattering via intra and intervalley deformation potential couplings and the Fr\"ohlich interaction. The mobility is weakly dependent on the carrier density and follows a…

• UD
  U.S. Department of Energy

  Award: DE-SC0001060
• L
  Lundbeckfonden
• HL
  H. Lundbeck A/S
• OO
  Office of Science

  Award: DE-SC0001060
• BE
  Basic Energy Sciences

  Award: DE-SC0001060