Manipulation of Bi~(3+)/In~(3+) Transmutation and Mn~(2+)-Doping Effect on the Structure and Optical Properties of Double Perovskite Cs_2NaBi_(1-x)InxCl_6

Zhou Jun; Rong Ximing; Zhang Peng; Molokeev Maxim S.; Wei Peijia; Liu Quanlin; Zhang Xiuwen; Xia Zhiguo

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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_2NaBi_(1-x)InxCl_6

机译：双（3 +）/ In〜（3+）嬗变和Mn〜（2 +） - 对双钙钛矿CS_2NABI_（1-X）INXCL_6的结构和光学性质的掺杂效果

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The halide double perovskite family represented by A(2)(B+,B3+)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 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.

机译：由A（2）（B +，B3 +）X-6表示的卤化物双钙钛矿系列可以通过B / B站点的嬗变或异国情调的掺杂剂克服铅毒性，并使大型带隙工程能够满足光电领域的新兴应用。这里，报道了具有强烈橙黄色发射带的新型Mn2 +二掺杂CS2NaBi1-XinxCl6晶体的设计和实验合成，通过组合的实验理论方法讨论相位形成稳定性。根据Bi3 + / In3 +组合的操纵，带隙与IN3 +内容增加，并且验证了从间接到直接带隙的后续演进。第一原理计算和奇偶校验分析表明CS2NAINCL6对CS2NAINCL6的奇偶诊断效应，以及CS2NABI1-XINXCL6的吸收效果来自CS2NABICL6和CS2NAINCL6。根据Bi3 + / In3 +取代的相关MN2 + - 掺杂的光致发光也从不同MN-CL环境和相邻阳离子效应的变化寻址。

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来源
《Advanced Optical Materials》 |2019年第8期|1801435.1-1801435.9|共9页
作者
Zhou Jun; Rong Ximing; Zhang Peng; Molokeev Maxim S.; Wei Peijia; Liu Quanlin; Zhang Xiuwen; Xia Zhiguo;
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Univ Sci & Technol Beijing Sch Mat Sci & Engn Beijing Municipal Key Lab New Energy Mat & Techno Beijing 100083 Peoples R China;

Shenzhen Univ Coll Phys & Optoelect Engn Shenzhen Key Lab Flexible Memory Mat & Devices Shenzhen 518060 Peoples R China|Shenzhen Univ Coll Optoelect Engn Minist Educ & Guangdong Prov Key Lab Optoelect Devices & Syst Shenzhen 518060 Peoples R China;

Shenzhen Univ Coll Phys & Optoelect Engn Shenzhen Key Lab Flexible Memory Mat & Devices Shenzhen 518060 Peoples R China;

KSC SB RAS Fed Res Ctr Kirensky Inst Phys Lab Crystal Phys Krasnoyarsk 660036 Russia|Siberian Fed Univ Dept Engn Phys & Radioelect Krasnoyarsk 660041 Russia|Far Eastern State Transport Univ Dept Phys Khabarovsk 680021 Russia;

Univ Sci & Technol Beijing Sch Mat Sci & Engn Beijing Municipal Key Lab New Energy Mat & Techno Beijing 100083 Peoples R China;

Univ Sci & Technol Beijing Sch Mat Sci & Engn Beijing Municipal Key Lab New Energy Mat & Techno Beijing 100083 Peoples R China;

Shenzhen Univ Coll Phys & Optoelect Engn Shenzhen Key Lab Flexible Memory Mat & Devices Shenzhen 518060 Peoples R China;

Univ Sci & Technol Beijing Sch Mat Sci & Engn Beijing Municipal Key Lab New Energy Mat & Techno Beijing 100083 Peoples R China|South China Univ Technol State Key Lab Luminescent Mat Guangzhou 510641 Guangdong Peoples R China|South China Univ Technol Inst Opt Commun Mat Guangzhou 510641 Guangdong Peoples R China;

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正文语种 eng
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关键词
band gap engineering; halide double perovskites; Mn2+ doping;

机译：带隙工程;卤化物双重钙质;MN2 +掺杂;

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1. Manipulation of Bi~(3+)/In~(3+) Transmutation and Mn~(2+)-Doping Effect on the Structure and Optical Properties of Double Perovskite Cs_2NaBi_(1-x)InxCl_6 [J] . Zhou Jun, Rong Ximing, Zhang Peng, Advanced Optical Materials . 2019,第8期

机译：Bi〜（3 +）/ In〜（3+）and变和Mn〜（2+）掺杂对双钙钛矿Cs_2NaBi_（1-x）InxCl_6的结构和光学性质的影响
2. Optical properties of Ln~(2+,3+) (Ln = Eu~(2+), Ce~(3+), Dy~(3+) and Ce~(3+)/Dy~(3+)) doped BaMg_2Al_6Si_9O_(30) nanophosphor [J] . Kolte M. M., Pawade V. B., Koao L. F., Journal of materials science . 2018,第24期

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3. Optical, Magnetic, Electrochemical, and Electrical Properties of 8-Hydroxyquinoline-Based Complexes with Al~(3+), Cr~(3+), Mn~(2+), Co~(2+), Ni~(2+), Cu~(2+), and Zn~(2+) [J] . Lorena M. A. Monzon, Franklyn Burke, J. M. D. Coey The journal of physical chemistry, C. Nanomaterials and interfaces . 2011,第18期

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4. Ferroelectric Properties of Ba_2Bi_4Ti_5O_18 Doped with Pb~(2+), Al~(3+), Ga~(3+), In~(3+), Ta~(5+) Aurivillius Phases [C] . A. Rosyidah, D. Onggo, Khairurrijal, International Conference on Neutron and X-Ray Scattering . 2008

机译：Ba_2bi_4Ti_5O_18的铁电特性掺杂有Pb〜（2+），Al〜（3+），Ga〜（3+），在〜（3+），Ta〜（5+）Aurivillius阶段
5. Optical properties of semiconductor zinc(1-x) magnesium(x) oxygen and zinc oxide:bismuth(3+). [D] . Mosquera Vargas, Edgar Eduardo. 2003

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6. Synthesis of Trimetallic (HPd@M2Au8)3+ Superatoms (M = Ag Cu) via Hydride-MediatedRegioselective Doping to (Pd@Au8)2+ [O] . Haru Hirai, Shinjiro Takano, Tatsuya Tsukuda, 2019

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7. 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 [O] . Jun Zhou, Ximing Rong, Peng Zhang, 2019

机译：在X CL 6中操纵Bi 3+ / 3+嬗变和Mn 2+ - 掺杂对双Perovskite CS 2 Nabi 1-x的结构和光学性质的影响

Manipulation of Bi~(3+)/In~(3+) Transmutation and Mn~(2+)-Doping Effect on the Structure and Optical Properties of Double Perovskite Cs_2NaBi_(1-x)InxCl_6

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