Corpus ID: 238582880

First-principles ionized-impurity scattering and charge transport in doped materials

  title={First-principles ionized-impurity scattering and charge transport in doped materials},
  author={I-Te Lu and Jin-Jian Zhou and Jinsoo Park and Marco Bernardi},
Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described with quantitative first-principles calculations, so their understanding relies primarily on simplified models. Here we show an ab initio approach to compute the interactions between electrons and ionized impurities or other charged defects. It includes the short- and long-range electron-defect (e-d) interactions on… Expand

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