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PreprintCC BY 4.0arXiv

Extrinsic Bulk Photovoltaic Effect from Asymmetric Defect Scattering

  • Zixun Wang
  • Andrew M. Rappe
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Abstract

The extrinsic bulk photovoltaic effect from asymmetric electron-defect scattering can make an important contribution to the total photocurrent and is highly diagnostic of defect type. We present an ab initio Boltzmann framework combining optical excitation with electron-phonon and symmetric and skew electron-defect scattering, and we apply it to monolayer GeS. Because the defects that generate the current also relax the anisotropy that sustains it, the response peaks at a finite defect fraction. Within the scattering-limited model, cooling to $0$~K shifts the peak position toward lower defect fractions and yields a maximum enhancement of more than six orders of magnitude at fixed defect fraction. At selected low-temperature defect fractions, the total extrinsic current can exceed the intrinsic shift current by more than an order of magnitude, so that the defect fraction itself becomes a tunable parameter.

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Cite

BibTeXRIS
BibTeX
@misc{wang2026extrinsic,
  title = {{Extrinsic Bulk Photovoltaic Effect from Asymmetric Defect Scattering}},
  author = {Zixun Wang and Andrew M. Rappe},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.25029},
  eprint = {2610.25029},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.25029},
  note = {CC BY 4.0},
}
RIS
TY  - UNPB
TI  - Extrinsic Bulk Photovoltaic Effect from Asymmetric Defect Scattering
AU  - Zixun Wang
AU  - Andrew M. Rappe
PY  - 2026
DA  - 2026/10/18
PB  - arXiv
DO  - 10.48550/arxiv.2610.25029
UR  - https://arxiv.org/abs/2610.25029
AB  - The extrinsic bulk photovoltaic effect from asymmetric electron-defect scattering can make an important contribution to the total photocurrent and is highly diagnostic of defect type. We present an ab initio Boltzmann framework combining optical excitation with electron-phonon and symmetric and skew electron-defect scattering, and we apply it to monolayer GeS. Because the defects that generate the current also relax the anisotropy that sustains it, the response peaks at a finite defect fraction. Within the scattering-limited model, cooling to $0$~K shifts the peak position toward lower defect fractions and yields a maximum enhancement of more than six orders of magnitude at fixed defect fraction. At selected low-temperature defect fractions, the total extrinsic current can exceed the intrinsic shift current by more than an order of magnitude, so that the defect fraction itself becomes a tunable parameter.
ER  -