Unexpectedly Strong Auger Recombination in Halide Perovskites

Shen, Jimmy-Xuan; Zhang, Xie; Das, Suvadip; Kioupakis, Emmanouil; Van de Walle, Chris G.

doi:10.1002/aenm.201801027

Title: Unexpectedly Strong Auger Recombination in Halide Perovskites

Journal Article · Wed Sep 19 00:00:00 EDT 2018 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.201801027· OSTI ID:1543467

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Univ. of California, Santa Barbara, CA (United States). Dept. of Physics
Univ. of California, Santa Barbara, CA (United States). Materials Dept.
Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Materials Science and Engineering

Abstract The emergence of halide perovskites for photovoltaic applications has triggered great interest in these materials for solid‐state light emission. Higher order electron–hole recombination processes can critically affect the efficiency of such devices. In the present work, the Auger recombination coefficients are computed in the prototypical halide perovskite, CH ₃ NH ₃ PbI ₃ (MAPbI ₃ ), using first‐principles calculations. It is demonstrated that Auger recombination is responsible for the exceptionally high third‐order recombination coefficient observed in experiment. The large Auger coefficient is attributed to a coincidental resonance between the bandgap and interband transitions to a complex of higher‐lying conduction bands. Additionally, it is found that the distortions of PbI ₆ octahedra contribute significantly to the high Auger coefficient, offering potential avenues for materials design.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States); Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-05CH11231; SC0010689; DE‐SC0010689; DE‐AC0205CH11231

OSTI ID:: 1543467

Alternate ID(s):: OSTI ID: 1472176

Journal Information:: Advanced Energy Materials, Vol. 8, Issue 30; ISSN 1614-6832

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 235 works

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