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Manipulation of Bi 3+ /In 3+ Transmutation and Mn 2+ ‐Doping Effect on the Structure and Optical Properties of Double Perovskite Cs 2 NaBi 1‐ x In x Cl 6
Author(s) -
Zhou Jun,
Rong Ximing,
Zhang Peng,
Molokeev Maxim S.,
Wei Peijia,
Liu Quanlin,
Zhang Xiuwen,
Xia Zhiguo
Publication year - 2019
Publication title -
advanced optical materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.89
H-Index - 91
ISSN - 2195-1071
DOI - 10.1002/adom.201801435
Subject(s) - photoluminescence , doping , perovskite (structure) , band gap , materials science , dopant , halide , crystallography , optoelectronics , chemistry , inorganic chemistry
The halide double perovskite family represented by A 2 (B + ,B 3+ )X 6 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 Mn 2+ ‐doped Cs 2 NaBi 1‐ x In x Cl 6 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 Bi 3+ /In 3+ combination, the band gap increases with In 3+ 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 Cs 2 NaInCl 6 , and a combination effect of absorption on Cs 2 NaBi 1‐ x In x Cl 6 from both Cs 2 NaBiCl 6 and Cs 2 NaInCl 6 . The associated Mn 2+ ‐doped photoluminescence depending on the Bi 3+ /In 3+ substitution is also addressed from the variation of the different Mn–Cl environment and neighboring‐cation effect.