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Tunable photostriction of halide perovskites controlled by light: Light-induced lattice expansion or light-induced lattice contraction?

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Recently it is debated whether the light-induced expansion in halide perovskites is driven by photoexcitation or by thermal effects [Science 368, eaay8691 (2020) & 368, eaba6295 (2020)]. In addition, it remains unclear whether light can induce lattice expansion or lattice contraction because contradictory results on photostriction of perovskites have been obtained in previous experiments. Here we find that photo-induced strain can be controlled by selective excitation of valence states using first principles calculations. The overall effect is that light induces lattice contraction at weak excitation, while lattice expansion occurs at strong excitation. Such uniform strain controlled by light can be used as an ultrafast approach to optimize the optoelectronic performance and to improve the stability of halide perovskites.

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