Band versus Polaron: Charge Transport in Antimony Chalcogenides

@article{Wang2022BandVP,
  title={Band versus Polaron: Charge Transport in Antimony Chalcogenides},
  author={Xinwei Wang and Alex M. Ganose and Se{\'a}n R. Kavanagh and Aron Walsh},
  journal={ACS Energy Letters},
  year={2022},
  volume={7},
  pages={2954 - 2960}
}
Antimony sulfide (Sb2S3) and selenide (Sb2Se3) are emerging earth-abundant absorbers for photovoltaic applications. Solar cell performance depends strongly on charge-carrier transport properties, but these remain poorly understood in Sb2X3 (X = S, Se). Here we report band-like transport in Sb2X3, determined by investigating the electron–lattice interaction and theoretical limits of carrier mobility using first-principles density functional theory and Boltzmann transport calculations. We… 

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