Unexpectedly strong Auger recombination in halide perovskites

ORAL

Abstract

The emergence of halide perovskites in solar cell applications has triggered the exploration of electron-hole recombination processes. Some experimental measurements have shown unexpectedly high Auger recombination coefficients in halide perovskites as compared to III-V semiconductors with similar band gaps, but the underlying microscopic mechanism remains unclear. In the present work, we compute the Auger recombination coefficients in the prototype halide perovskite, CH3NH3PbI3 (MAPbI3), using first-principles calculations. We demonstrate that the unexpectedly high Auger coefficient observed in MAPbI3 is due to an accidental resonance between the band gap and a complex of bands at energies approximately equal to the gap above the conduction-band edge. Furthermore, we show that the high Auger coefficient can be suppressed by eliminating the octahedral distortions of the halide lattice.

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Presenters

  • Jimmy Shen

    Department of Physics, University of California, Department of Physics, Univ of California - Santa Barbara, Materials, Univ of California - Santa Barbara

Authors

  • Jimmy Shen

    Department of Physics, University of California, Department of Physics, Univ of California - Santa Barbara, Materials, Univ of California - Santa Barbara

  • Xie Zhang

    Materials Department, Univ of California - Santa Barbara, Materials, Univ of California - Santa Barbara

  • Chris Van de Walle

    University of California, Santa Barbara, Materials Department, Univ of California - Santa Barbara, Materials Department, University of California, Santa Barbara, Materials, Univ of California - Santa Barbara, Materials Department, University of California - Santa Barbara, Materials Department, University of California