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RESEARCH PAPER · Inorganic Chemistry · 2018

High-Pressure Synthesis, Crystal Structure, Chemical Bonding, and Ferroelectricity of LiNbO3-Type LiSbO3

Yoshiyuki Inaguma, Akihisa Aimi, Daisuke Mori, Tetsuhiro Katsumata, Masanari Ohtake, Masanobu Nakayama, Masao Yonemura

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High-Pressure Synthesis, Crystal Structure, Chemical Bonding, and Ferroelectricity of LiNbO3-Type LiSbO3OriginalPredicted polymorph manipulation in an exotic double perovskite oxide13High pressure Raman scattering of DL‑isoleucine crystals and DFT calculations4Abnormal lattice occupation of Mo and related polarons in LiNbO3: Hybrid density functional theory investigation4Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition14Data-driven computational prediction and experimental realization of exotic perovskite-related polar magnets25Pressure-Induced High-κ Dielectric Properties and Multiple Phase Transitions between Novel Nonperovskite and Perovskite Phases in LiSbO3: A First-Principles Study5Evolution of transition metal charge states in correlation with the structural and magnetic properties in disordered double perovskites Ca 2− x La x FeRuO 6 (0.5 ≤ x ≤ 2)17First-principles investigation of the elastic, photocatalytic and ferroelectric properties of LiNbO3-type LiSbO3 under high pressure3Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores12Building a Better Li‐Garnet Solid Electrolyte/Metallic Li Interface with Antimony151Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides19Chemical design of a new displacive-type ferroelectric20Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light5Interplay between Oxygen Octahedral Rotation and Deformation in the Acentric ARTiO4 Series toward Negative Thermal Expansion19Structure and related physical properties of Li 2 O-Sb 2 O 3 -B 2 O 3 glasses5Review on Innovative Piezoelectric Materials for Mechanical Energy Harvesting90Metastable γ-Li2TiTeO6: Negative Chemical Pressure Interception and Polymorph Tuning of SHG7Emerging ferroelectricity and piezoelectric energy harvesting properties in lead-free zinc titanate nanocrystals23A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements22Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO 38Zn-based oxide perovskite nanocomposites for energy and sensing applications10Intrinsic and defect-induced luminescence of lithium antimonate LiSbO34Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure1Luminescence spectra and site-occupation of Eu3+ centres in lithium antimonate LiSbO3 lattice14Dynamic control of halide perovskite structures for tailored ferroelectric and second-order nonlinear optical functionalities39Bulk‐Rashba Effect with Suppressed Spin Relaxation in a Polar Phase of Bi 1‐ x In 1+ x O 31Lithium and oxygen dimer diffusion in solid-state oxygen-redox cathode materials: insights from neural network molecular dynamics0Formation process and composition-dependent properties in non-centrosymmetric Ta2O5 phase with Zr substitution0Rational synthesis of a new Haldane chain compound by predicted pressure-induced phase modification0

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  1. Predicted polymorph manipulation in an exotic double perovskite oxide

    Journal of Materials Chemistry C · 2019-01-01

    Heping Su, Shu‐Fang Li, Yifeng Han, Meixia Wu, Churen Gui, Yanfen Chang, Mark Croft, Steven N. Ehrlich, Syed Khalid, Umut Adem, Shuai Dong, Young Sun, Feng Huang, Man‐Rong Li

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  2. High pressure Raman scattering of DL‑isoleucine crystals and DFT calculations

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2019-01-30

    F.S.C. Rêgo, Francisco E. A. Melo, C.E.S. Nogueira, A. Polian, Paulo Freire, P.F. Façanha Filho, José A. Lima Junior

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  3. Abnormal lattice occupation of Mo and related polarons in LiNbO3: Hybrid density functional theory investigation

    Journal of Materiomics · 2020-01-10

    Lili Li, Yanlu Li, Xian Zhao, Xiufeng Cheng, Yongjun Fan

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  4. Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition

    Chemistry of Materials · 2020-05-14

    Masayuki Fukuda, Ikuya Yamada, Hidenobu Murata, Hajime Hojo, Olivier Hernandez, C. Ritter, Katsuhisa Tanaka, Koji Fujita

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  5. Data-driven computational prediction and experimental realization of exotic perovskite-related polar magnets

    npj Quantum Materials · 2020-12-09

    Yifeng Han, Meixia Wu, Churen Gui, Chuanhui Zhu, Zhongxiong Sun, Mei-Huan Zhao, Aleksandra A. Savina, Artem M. Abakumov, Biao Wang, Feng Huang, Lunhua He, Jie Chen, Qingzhen Huang, Mark Croft, Steven N. Ehrlich, Syed Khalid, Zheng Deng, Changqing Jin, Christoph P. Grams, J. Hemberger, Xueyun Wang, Jiawang Hong, Umut Adem, Meng Ye, Shuai Dong, Man‐Rong Li

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  6. Pressure-Induced High-κ Dielectric Properties and Multiple Phase Transitions between Novel Nonperovskite and Perovskite Phases in LiSbO3: A First-Principles Study

    The Journal of Physical Chemistry C · 2020-12-24

    Si-Min Yang, Ai-Jie Mao, Hao Cheng, Hao Tian, Miao Yu, Zhang-Yao Xing, Yingqi Cui, Kuang Xiao-Yu

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  7. Evolution of transition metal charge states in correlation with the structural and magnetic properties in disordered double perovskites Ca 2− x La x FeRuO 6 (0.5 ≤ x ≤ 2)

    Physical Chemistry Chemical Physics · 2021-01-01

    Kumari Naveen, Tanmay Rom, S. S. Islam, M. Reehuis, Péter Adler, Claudia Felser, A. Hoser, R. Nath, Ashok Kumar Yadav, S. N. Jha, D. Bhattacharyya, Marcus Peter Schmidt, Avijit Kumar Paul

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  8. First-principles investigation of the elastic, photocatalytic and ferroelectric properties of LiNbO3-type LiSbO3 under high pressure

    Materials Today Communications · 2021-05-01

    Kun-Ren Su, Xiang-Fu Xu, Guo-Xia Lai, Sumei Hu, Weiling Zhu, Jia-Jun Tang, Xing-Yuan Chen

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  9. Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores

    Inorganic Chemistry · 2021-07-14

    Xiao Zhou, Jinjin Yang, Chuanhui Zhu, Yifeng Han, Zhongxiong Sun, Xiaokang Huang, Luyu Cao, Jing Wang, Yuanyuan Fang, Kai Wang, Bo Zou, Man‐Rong Li

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  10. Building a Better Li‐Garnet Solid Electrolyte/Metallic Li Interface with Antimony

    Advanced Energy Materials · 2021-09-01

    Romain J.‐C. Dubey, Jordi Sastre, Claudia Cancellieri, Faruk Okur, Alexander C. Forster, Lea Pompizii, Agnieszka Priebe, Yaroslav E. Romanyuk, Lars P. H. Jeurgens, Maksym V. Kovalenko, Kostiantyn V. Kravchyk

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  11. Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides

    Chemistry of Materials · 2021-12-20

    Mei-Huan Zhao, Chuanhui Zhu, Zhongxiong Sun, Tao Xia, Yifeng Han, Yijie Zeng, Ziyan Gao, Ya-Ping Gong, Xueyun Wang, Jiawang Hong, Wei‐Xiong Zhang, Yonggang Wang, Dao‐Xin Yao, Man‐Rong Li

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  12. Chemical design of a new displacive-type ferroelectric

    Dalton Transactions · 2022-01-01

    Mitsuru Itoh, Yosuke Hamasaki, Hiroshi Takashima, Rie Yokoi, Ayako Taguchi, Hiroki Moriwake

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  13. Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light

    RSC Advances · 2022-01-01

    Xing-Yuan Chen, Shi-Wu Ling, Huakai Xu, You-Da Che, Lifang Chen, Xiang-Fu Xu, Jia-Jun Tang, Jiahui Ye, Hong Ji, Danlin Yan

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  14. Interplay between Oxygen Octahedral Rotation and Deformation in the Acentric ARTiO4 Series toward Negative Thermal Expansion

    Chemistry of Materials · 2022-07-11

    Suguru Yoshida, Hirofumi Akamatsu, Alexandra S. Gibbs, Shogo Kawaguchi, Venkatraman Gopalan, Katsuhisa Tanaka, Koji Fujita

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  15. Structure and related physical properties of Li 2 O-Sb 2 O 3 -B 2 O 3 glasses

    Physica Scripta · 2022-07-15

    A. Tozri, M. Al-Zaibani, Ahmed Shahboub, E.F. El Agammy

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  16. Review on Innovative Piezoelectric Materials for Mechanical Energy Harvesting

    Energies · 2022-08-26

    Giacomo Clementi, Francesco Cottone, Alessandro Di Michele, L. Gammaitoni, M. Mattarelli, Gabriele Perna, Miquel López-Suárez, Salvatore Baglio, Carlo Trigona, Igor Neri

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  17. Metastable γ-Li2TiTeO6: Negative Chemical Pressure Interception and Polymorph Tuning of SHG

    Chemistry of Materials · 2022-11-07

    Mei-Huan Zhao, Xiao Hong Zhou, Yifeng Han, Dequan Jiang, Yonggang Wang, Kuo Li, Haiyan Zheng, Huiyang Gou, Ling Chen, Man‐Rong Li

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  18. Emerging ferroelectricity and piezoelectric energy harvesting properties in lead-free zinc titanate nanocrystals

    Journal of Materials Science · 2023-04-01

    Shubhankar Barman, Swadesh Paul, Priya Ranjan, Surajit Das, Anuja Datta

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  19. A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements

    Chinese Journal of Physics · 2023-09-27

    Mumtaz Manzoor, Muhammad Waqas Iqbal, Iqra Sadique, Saikh Mohammad Wabaidur, Essam A. Al‐Ammar, Ivan Štich, Ramesh Sharma, Mohd Zahid Ansari

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  20. Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO 3

    Dalton Transactions · 2024-01-01

    A. Yamamoto, Kimitoshi Murase, Takeru Sato, Kazumasa Sugiyama, Toru Kawamata, Yoshiyuki Inaguma, Jun‐ichi Yamaura, Kazuki Shitara, Rie Yokoi, Hiroki Moriwake

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  21. Zn-based oxide perovskite nanocomposites for energy and sensing applications

    Journal of Materials Science · 2024-05-26

    Swadesh Paul, Shubhankar Barman, Anuja Datta

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  22. Intrinsic and defect-induced luminescence of lithium antimonate LiSbO3

    Journal of Alloys and Compounds · 2024-06-26

    Donglei Wei, Yidi Teng, Xifeng Yang, Yushen Liu, Bo Ram Lee

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  23. Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure

    Chemistry of Materials · 2024-07-09

    Zhongxiong Sun, Jinjin Yang, Yifeng Han, Man‐Rong Li

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  24. Luminescence spectra and site-occupation of Eu3+ centres in lithium antimonate LiSbO3 lattice

    Microchemical Journal · 2024-07-09

    Donglei Wei, Yidi Teng, Xifeng Yang, Yushen Liu, Bo Ram Lee

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  25. Dynamic control of halide perovskite structures for tailored ferroelectric and second-order nonlinear optical functionalities

    Chemical Society Reviews · 2025-01-01

    Zhu Guo, Jiawei Lin, Lingling Mao

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  26. Bulk‐Rashba Effect with Suppressed Spin Relaxation in a Polar Phase of Bi 1‐ x In 1+ x O 3

    Advanced Materials · 2025-07-07

    Deokyoung Kang, Xue‐Zeng Lu, Megha Acharya, Sajid Husain, Isaac Harris, Piush Behera, Ching‐Che Lin, Ella Banyas, Alex G. Smith, Francesco Ricci, Menglin Zhu, Bridget R. Denzer, Tanguy Terlier, Shu Wang, Tae Yeon Kim, Lucas Caretta, Douglas Natelson, James M. LeBeau, Jeffrey B. Neaton, R. Ramesh, James M. Rondinelli, Lane W. Martin

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  27. Lithium and oxygen dimer diffusion in solid-state oxygen-redox cathode materials: insights from neural network molecular dynamics

    Science and Technology of Advanced Materials Methods · 2025-12-18

    Takuhiro Sasadaira, Naoto Tanibata, Hayami Takeda, Naoaki Yabuuchi, Masanobu Nakayama

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  28. Formation process and composition-dependent properties in non-centrosymmetric Ta2O5 phase with Zr substitution

    Journal of Applied Physics · 2026-03-10

    Suzuka Udagawa, Takanori Mimura, Tetsuhiro Katsumata, Yoshitaka Matsushita, T. Mochiku, Yoshiyuki Inaguma

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  29. Rational synthesis of a new Haldane chain compound by predicted pressure-induced phase modification

    npj Computational Materials · 2026-04-29

    Pengfei Tan, Muwei Wu, Chuanhui Zhu, Yuting Chang, Mei-Huan Zhao, Tao Xia, Guo-Hong Cai, Xiao-Sheng Ni, Shuang Zhao, Jinjin Yang, Chenhui Huang, Tao Han, Zheng Deng, Junfeng Wang, Sihao Deng, Lunhua He, Chengliang Lu, Junliang Sun, Dao‐Xin Yao, Man‐Rong Li

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