Nature Communications (Apr 2021)

Efficient calculation of carrier scattering rates from first principles

  • Alex M. Ganose,
  • Junsoo Park,
  • Alireza Faghaninia,
  • Rachel Woods-Robinson,
  • Kristin A. Persson,
  • Anubhav Jain

DOI
https://doi.org/10.1038/s41467-021-22440-5
Journal volume & issue
Vol. 12, no. 1
pp. 1 – 9

Abstract

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It is difficult to compute the transport properties of a broad array of complex materials both accurately and inexpensively. Here, the authors develop a computationally efficient method for calculating carrier scattering rates of semiconductors, with good accuracy but low cost.