期刊
ADVANCED ENERGY MATERIALS
卷 8, 期 30, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/aenm.201801027
关键词
Auger recombination; DFT calculations; halide perovskite; light-emitting diode
类别
资金
- U. S. Department of Energy (DOE), Office of Science, Basic Energy Sciences [DE-SC0010689]
- Office of Science of the U. S. Department of Energy [DE-AC0205CH11231]
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, CH3NH3PbI3 (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 PbI6 octahedra contribute significantly to the high Auger coefficient, offering potential avenues for materials design.
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