Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices

  title={Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices},
  author={Mattias Lau N{\o}hr Palsgaard and Troels Markussen and Tue Gunst and Mads Brandbyge and Kurt Stokbro},
  journal={Physical Review Applied},
We present a straightforward and computationally cheap method to obtain the phonon-assisted photocurrent in large-scale devices from first-principles transport calculations. The photocurrent is calculated using nonequilibrium Green's function with light-matter interaction from the first-order Born approximation while electron-phonon coupling (EPC) is included through special thermal displacements (STD). We apply the method to a silicon solar cell device and demonstrate the impact of including… 

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