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RESEARCH PAPER · Physical Review Materials · 2019

Material design of indium-based compounds: Possible candidates for charge, valence, and bond disproportionation and superconductivity

Chang‐Jong Kang, Gabriel Kotliar

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Material design of indium-based compounds: Possible candidates for charge, valence, and bond disproportionation and superconductivityOriginalTetragonal Cs1.17In0.81Cl3: A Charge-Ordered Indium Halide Perovskite Derivative28Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods98Effect of B-site cation ordering on high temperature thermoelectric behavior of Ba x Sr 2− x TiFeO 6 double perovskites6Identifying, understanding and controlling defects and traps in halide perovskites for optoelectronic devices: a review36Towards highly-efficient telluride-based thermoelectric materials1First-principles investigation of the physical properties of indium based fluoroperovskites InAF3 (A = Ca, Cd and Hg)34Exploring Ca–Ce–M–O (M = 3d Transition Metal) Oxide Perovskites for Solar Thermochemical Applications76Influence of In-induced resonant level on the normal-state and superconducting properties of Sn1.03Te9A first-principles study of the unsynthesized Indium halide perovskites RbInX3 (X= F, Cl, Br, I) for photovoltaic and photocatalytic applications20Intersite Coulomb Interactions in Charge-Ordered Systems15Electronic structure, mechanical, optical and thermodynamic properties of cubic perovskite InBeF3 with pressure effects: First-principles calculations63First-principles study of mechanical, electronic structure, and optical properties for cubic fluoroperovskite XMgF3 (X=Al, Ga, In, Tl) under high pressure*42Density functional theory analysis of structural, electronic, and optical properties of AInX3 (A = K, Rb, Cs and X = Cl, Br) perovskites7First-Principles Study of Mechanical, Electronic and Optical Properties of InMgI3 under High Pressure0Supersaturation‐Driven Co‐Precipitation Enables Scalable Wet‐Chemical Synthesis of High‐Purity Na 3 InCl 6 Solid Electrolyte for Sodium‐Ion Batteries1Unveiling the Mechanical, Electronic Structure, Optical Coating, Thermoelectric and Thermodynamic Characteristics of AInF3 (A = Cs, Rb) Fluoro-perovskite via DFT Study5Tuning Electronic and Optical Properties of InBeX3 (X = F, Cl, Br, I) Perovskites Through Halide Substitution: A First-Principles Study1

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  1. Tetragonal Cs1.17In0.81Cl3: A Charge-Ordered Indium Halide Perovskite Derivative

    Chemistry of Materials · 2019-02-19

    Xiaoyan Tan, Peter W. Stephens, Mylène Hendrickx, Joke Hadermann, Carlo U. Segre, Mark Croft, Chang‐Jong Kang, Zheng Deng, Saul H. Lapidus, Sun Woo Kim, Changqing Jin, Gabriel Kotliar, M. Greenblatt

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  2. Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods

    ACS Energy Letters · 2020-01-02

    Maurizia Palummo, Eduardo Berríos, Daniele Varsano, Giacomo Giorgi

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  3. Effect of B-site cation ordering on high temperature thermoelectric behavior of Ba x Sr 2− x TiFeO 6 double perovskites

    Journal of Physics Condensed Matter · 2020-02-12

    Deepankar Sri Gyan, Vivek Sundram, Akansha Dwivedi, Somnath Bhowmick, Tanmoy Maiti

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  4. Identifying, understanding and controlling defects and traps in halide perovskites for optoelectronic devices: a review

    Journal of Physics D Applied Physics · 2020-05-07

    Xiaoxuan Chen, Shijia Cheng, Lian Xiao, Handong Sun

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  5. Towards highly-efficient telluride-based thermoelectric materials

    Unknown journal · 2020-07-16

    Shantanu Misra

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  6. First-principles investigation of the physical properties of indium based fluoroperovskites InAF3 (A = Ca, Cd and Hg)

    Materials Science in Semiconductor Processing · 2020-08-20

    Sajid Ullah Khan, Rashid Ahmad, Nasir Mehmood, Faryal Hina, Alatf Ur Rehman, Shams u Zaman, H. J. Kim

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  7. Exploring Ca–Ce–M–O (M = 3d Transition Metal) Oxide Perovskites for Solar Thermochemical Applications

    Chemistry of Materials · 2020-11-17

    Gopalakrishnan Sai Gautam, Ellen B. Stechel, Emily A. Carter

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  8. Influence of In-induced resonant level on the normal-state and superconducting properties of Sn1.03Te

    Physical review. B./Physical review. B · 2022-08-29

    Shantanu Misra, Bartłomiej Wiendlocha, J. Toboła, Petr Levinský, Jiří Hejtmánek, Sylvie Migot, Jaâfar Ghanbaja, A. Dauscher, Bertrand Lenoir, Christophe Candolfi

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  9. A first-principles study of the unsynthesized Indium halide perovskites RbInX3 (X= F, Cl, Br, I) for photovoltaic and photocatalytic applications

    E3S Web of Conferences · 2023-01-01

    Mihade El Akkel, Mounia Achqraoui, Hamid Ez-zahraouy A

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  10. Intersite Coulomb Interactions in Charge-Ordered Systems

    Physical Review Letters · 2023-03-28

    Bo Gyu Jang, Min-Jae Kim, Sanghoon Lee, Wooil Yang, Seung-Hoon Jhi, Young‐Woo Son

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  11. Electronic structure, mechanical, optical and thermodynamic properties of cubic perovskite InBeF3 with pressure effects: First-principles calculations

    Results in Physics · 2023-06-01

    Jingyi Zhang, Yan Chen, Shanjun Chen, Jie Hou, Ruijie Song, Zaifa Shi

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  12. First-principles study of mechanical, electronic structure, and optical properties for cubic fluoroperovskite XMgF3 (X=Al, Ga, In, Tl) under high pressure*

    Materials Science in Semiconductor Processing · 2024-02-01

    Jingyi Zhang, Yan Chen, Shanjun Chen, Jie Hou, Ruijie Song, Zaifa Shi

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  13. Density functional theory analysis of structural, electronic, and optical properties of AInX3 (A = K, Rb, Cs and X = Cl, Br) perovskites

    MRS Communications · 2024-10-26

    Sana Ullah, Yanqi Mu, Guancai Xie, Jian Ru Gong

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  14. First-Principles Study of Mechanical, Electronic and Optical Properties of InMgI3 under High Pressure

    Advances in Condensed Matter Physics · 2025-01-01

    慧梅 张

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  15. Supersaturation‐Driven Co‐Precipitation Enables Scalable Wet‐Chemical Synthesis of High‐Purity Na 3 InCl 6 Solid Electrolyte for Sodium‐Ion Batteries

    Small · 2025-10-30

    Shaikh Saddam Shoukat Ali, Shaheen A. Khan, Yi‐Ting Tsai, Chi‐Hsuan Lee, Yen‐Fang Song, Gung-Chian Yin, Chung‐Kai Chang, Yu‐Chun Chuang, Shing‐Jong Huang, Chun‐Wei Pao, Tsan‐Yao Chen, Mu‐Huai Fang

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  16. Unveiling the Mechanical, Electronic Structure, Optical Coating, Thermoelectric and Thermodynamic Characteristics of AInF3 (A = Cs, Rb) Fluoro-perovskite via DFT Study

    Chemistry Africa · 2026-03-20

    M. Lani, Maroua Khenata, F. Chiker, Najet Baki, Y.A. Khachai, Houari Khachai, R. Khenata, Hamad Rahman Jappor, Saleem A. Khan, Malika Chikhi, Saad Bin-Omran

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  17. Tuning Electronic and Optical Properties of InBeX3 (X = F, Cl, Br, I) Perovskites Through Halide Substitution: A First-Principles Study

    Journal of Electronic Materials · 2026-07-06

    Pooja Sharma

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