Profiling novel high-conductivity 2D semiconductors

@article{Sohier2020ProfilingNH,
  title={Profiling novel high-conductivity 2D semiconductors},
  author={T. Sohier and M. Gibertini and N. Marzari},
  journal={arXiv: Materials Science},
  year={2020}
}
  • T. Sohier, M. Gibertini, N. Marzari
  • Published 2020
  • Materials Science, Physics
  • arXiv: Materials Science
  • When complex mechanisms are involved, pinpointing high-performance materials within large databases is a major challenge in materials discovery. We focus here on phonon-limited conductivities, and study 2D semiconductors doped by field effects. Using state-of-the-art density-functional perturbation theory and Boltzmann transport equation, we discuss 11 monolayers with outstanding transport properties. These materials are selected from a computational database of exfoliable materials providing… CONTINUE READING
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