First-Principles Understanding of Strong Auger Recombination in Hybrid Perovskites

Abstract

The radiative recombination coefficient of the hybrid perovskites is as high as in typical direct-gap semiconductors [1], facilitating strong light absorption in solar cells and potentially enabling their application in light-emitting diodes (LEDs). Since LEDs operate at higher carrier densities than solar cells, higher-order electron–hole recombination processes can critically affect their efficiency. We have computed Auger recombination coefficients in the prototypical halide perovskite [2], CH3NH3PbI3 (MAPbI3), using first‐principles calculations. Our computed nonradiative Auger coefficients show that strong Auger recombination may suppress the LED’s efficiency. Fortunately, our insights into the origins of the strong Auger recombination indicate potential avenues for engineering to reduce the effect of Auger recombination. This work was supported by DOE. [1] Zhang, X, et al. ACS Energy Lett. 3, 2329 (2018). [2] Shen, J.-X., et al. Adv. Energy Mater. 8, 1801027 (2018).