Manipulation of Bi3+/In3+ Transmutation and Mn2+‐Doping Effect on the Structure and Optical Properties of Double Perovskite Cs2NaBi1‐xInxCl6

By Jun Zhou, Ximing Rong, Peng Zhang, M. Molokeev, Peijia Wei, Quanlin Liu, Xiuwen Zhang, Z. Xia. Advanced Optical Materials, 2019

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The halide double perovskite family represented by A2(B+,B3+)X6 can overcome the lead toxicity and enable generally large band gap engineering via B/B sites' transmutation or exotic dopants to fulfill the emerging applications in the optoelectronic fields. Herein, the design and the experimental synthesis of a new family of Mn2+‐doped Cs2NaBi1‐xInxCl6 crystals with an intense orange‐yellow emission band are reported, and the phase formation stability is discussed via a combined experimental–theoretical approach. Depending on the manipulation of Bi3+/In3+ combination, the band gap increases with In3+ content, and a subsequent evolution from indirect to direct band gap is verified. First‐principles calculations and parity analyses indicate a parity forbidden effect on Cs2NaInCl6, and a combination effect of absorption on Cs2NaBi1‐xInxCl6 from both Cs2NaBiCl6 and Cs2NaInCl6. The associated Mn2+‐doped photoluminescence depending on the Bi3+/In3+ substitution is also addressed from the variation of the different Mn–Cl environment and neighboring‐cation effect.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/05d1ff79e9a4583d507a6302a00817289e64ad86