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RESEARCH PAPER · Physical Review Letters · 2018

Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites and Related Materials

Teng Gu, Timothy Scarbrough, Yurong Yang, Jorge Íñiguez, L. Bellaïche, Hongjun Xiang

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Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites and Related MaterialsOriginalPressure-induced enhancement of non-polar to polar transition temperature in metallic LiOsO324Anomalies of phase diagrams and physical properties of antiferrodistortive perovskite oxides4Ferroelectric Origin and Distortion Modes in Doped BiFeO 3 by Crystallography Approach0Interface-induced enhancement of piezoelectricity in the (SrTiO 3 ) m /(BaTiO 3 ) M−m superlattice for energy harvesting applications14Intrinsic origin of enhanced piezoelectricity in alkali niobate‐based lead‐free ceramics28Genetic algorithm prediction of pressure-induced multiferroicity in the perovskite PbCoO38First-principles screening of ABO3 oxides with two magnetic sublattices3The tunable ferroelectricity and piezoelectricity of the KNN piezoceramics by Na concentrations: First-principles calculations27Designing Multifunctionality via Assembling Dissimilar Materials: Epitaxial AlN/ScN Superlattices36The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation26Magneto-electric multiferroics: designing new materials from first-principles calculations10Effect of strain and doping on the polar metal phase in LiOsO 312First-principles calculations of oxygen octahedral distortions in LaAlO 3 /SrTiO 3 (001) superlattices5Interfacial Control of Ferromagnetism in Ultrathin SrRuO3 Films Sandwiched between Ferroelectric BaTiO3 Layers23An Unconventional Transient Phase with Cycloidal Order of Polarization in Energy‐Storage Antiferroelectric PbZrO383Room-temperature polar metal stabilized under high pressure10Flexopiezoelectricity at ferroelastic domain walls in WO3 films55Stabilizing hidden room-temperature ferroelectricity via a metastable atomic distortion pattern58Unraveling the Suppression of Oxygen Octahedra Rotations in A3B2O7 Ruddlesden-Popper Compounds: Engineering Multiferroicity and Beyond53Unusual magnetic transitions and phonon instabilities in tetragonal SrIrO3 under epitaxial strain1Cooperative evolution of polar distortion and nonpolar rotation of oxygen octahedra in oxide heterostructures29Crystal Structure and the Spectral Response of the Ba‐Doped SrTiO3 Incipient Ferroelectrics10Ab initio description of oxygen vacancies in epitaxially strained $\hbox {SrTiO}_{{3}}$ at finite temperatures8Understanding the correlation between intermediate monoclinic phase (Cc) and piezoelectric properties in NaNbO3-BaTiO3-CaZrO3 ternary system with octahedral tilt22Strain and temperature-dependent dielectric permittivity of cubic SrTiO3: Self-consistent phonon theory calculations11Hybrid System Combining Two-Dimensional Materials and Ferroelectrics and Its Application in Photodetection98Non- d0 ferroelectricity from semicovalent superexchange in bismuth ferrite3Energetic Couplings in Ferroics11Pressure-induced metal–insulator transition in oxygen-deficient LiNbO3-type ferroelectrics2Octahedral rotations in Ruddlesden-Popper layered oxides under pressure from first principles11Design of oxygen vacancy in BiFeO3-based films for higher photovoltaic performance52Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles60Structural Phase Transition and In-Situ Energy Storage Pathway in Nonpolar Materials: A Review23Ferroelectric to incommensurate fluctuations crossover in PbHfO3−PbSnO312An overview of SrRuO3-based heterostructures for spintronic and topological phenomena37Deterministic control of ferroelectric polarization by ultrafast laser pulses54Computational studies on magnetism and ferroelectricity4Hybrid Improper Ferroelectricity: A Theoretical, Computational, and Synthetic Perspective45Enzyme-nanozyme cascade colorimetric sensor platform: a sensitive method for detecting human serum creatinine24Deciphering the atomic-scale structural origin for large dynamic electromechanical response in lead-free Bi0.5Na0.5TiO3-based relaxor ferroelectrics70Controlled properties of perovskite oxide films by engineering oxygen octahedral rotation3Ferroelastic twin domain patterns and polar domain walls of BiVO4 thin films via phase-field simulations8Structural Properties of Two-Dimensional Strontium Titanate: A First-Principles Investigation6Origin of antiferroelectricity in NaNbO38Quenched lattice fluctuations in optically driven SrTiO340Few-layer perovskite YMnO3 : A first-principles study3Universal Polar Instability in Highly Orthorhombic Perovskites6Chemical control of polymorphism and ferroelectricity in PbTiO 3 and SrTiO 3 monolayers and bilayers0Observation of polaronic state assisted sub-bandgap saturable absorption12Incipient ferroelectricity in methylammonium lead halide perovskites7Revealing the Origin of Property Discrepancy in KNN‐Based Ceramics with Extreme K/Na Ratio for Sensing Application3Sn and Ce co-doping regulate phase structure of NaNbO 3: Double hysteresis loop and electro-strain8First-principles investigations on the thermal transport and thermoelectric properties of anti-perovskite M3OI and M4OI2 (M = K, Rb)2Superior Capacitive Energy Storage of NaNbO 3 ‐Based MLCCs Enabled by Heterogeneous Short‐Range Ferroic Orders13Grain Plastic Rearrangement for Fabricating Textured CaBi 2 Nb 2 O 9 -Based Ceramics with Superior Piezoelectricity3Phase transition and antiferroelectric-like switching inside ferroelastic domain walls2Demystifying local polarization configuration evolution for high-piezoelectricity chemical design via deep learning1Tunable polarization and band gap in ferroelectric nitride perovskites via superlattice design0Band gap engineering and property enhancement in BiFeO3 via anionic sulfur substitution2Octahedral tilting and B-site off-centering in halide perovskites are not coupled7Evidence for stabilization of ferroelectricity in WO3 thin films under anisotropic epitaxial strain0Phase transitions and enhanced piezoelectric response in high-index (310)-oriented BiFeO3 thin films0Misorientation angle effects on shear stripes in textured ferroelectric ceramics under compression0

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  1. Pressure-induced enhancement of non-polar to polar transition temperature in metallic LiOsO3

    Applied Physics Letters · 2018-07-02

    Esteban I. Paredes Aulestia, Yiu Wing Cheung, Yue-Wen Fang, Jianfeng He, Kazunari Yamaura, Kwing To Lai, Swee K. Goh, Hanghui Chen

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  2. Anomalies of phase diagrams and physical properties of antiferrodistortive perovskite oxides

    Journal of Alloys and Compounds · 2018-11-12

    M. D. Glinchuk, Anna N. Morozovska, Dmitry V. Karpinsky, Maxim V. Silibin

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  3. Ferroelectric Origin and Distortion Modes in Doped BiFeO 3 by Crystallography Approach

    SSRN Electronic Journal · 2019-01-01

    Xiang Wei, Haifeng Li, Hao Zhu, Wenjun Luo, Xialin Yi, WU Yu-bo, Dongdong Deng, Lu Zheng, Xinrong Lei, Gang He, RongZhou Gong

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  4. Interface-induced enhancement of piezoelectricity in the (SrTiO 3 ) m /(BaTiO 3 ) M−m superlattice for energy harvesting applications

    Physical Chemistry Chemical Physics · 2019-01-01

    Guntars Zvejnieks, Leonid L. Rusevich, Denis Gryaznov, Eugene A. Kotomin

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  5. Intrinsic origin of enhanced piezoelectricity in alkali niobate‐based lead‐free ceramics

    Journal of the American Ceramic Society · 2019-02-05

    Zhi Tan, Yuting Peng, Jiao An, Qiming Zhang, Jianguo Zhu

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  6. Genetic algorithm prediction of pressure-induced multiferroicity in the perovskite PbCoO3

    Physical review. B./Physical review. B · 2019-05-03

    Feng Lou, Wei Luo, Junsheng Feng, Hongjun Xiang

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  7. First-principles screening of ABO3 oxides with two magnetic sublattices

    Physical Review Materials · 2019-06-10

    Hong Jian Zhao, L. Bellaïche, Jorge Íñiguez

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  8. The tunable ferroelectricity and piezoelectricity of the KNN piezoceramics by Na concentrations: First-principles calculations

    Journal of the European Ceramic Society · 2019-08-15

    Yuting Peng, Zhi Tan, Jiao An, Jianguo Zhu, Qiming Zhang

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  9. Designing Multifunctionality via Assembling Dissimilar Materials: Epitaxial AlN/ScN Superlattices

    Physical Review Letters · 2019-08-28

    Zhijun Jiang, Charles Paillard, David Vanderbilt, Hongjun Xiang, L. Bellaïche

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  10. The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation

    Journal of Magnetism and Magnetic Materials · 2019-09-11

    Moussa Kibbou, Younes Benhouria, Mourad Boujnah, Ismail Essaoudi, A. Ainane, Rajeev Ahuja

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  11. Magneto-electric multiferroics: designing new materials from first-principles calculations

    Physical Sciences Reviews · 2019-10-31

    Julien Varignon, Nicholas C. Bristowe, Éric Bousquet, Philippe Ghosez

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  12. Effect of strain and doping on the polar metal phase in LiOsO 3

    Journal of Physics Condensed Matter · 2019-11-21

    Awadhesh Narayan

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  13. First-principles calculations of oxygen octahedral distortions in LaAlO 3 /SrTiO 3 (001) superlattices

    Physical Chemistry Chemical Physics · 2020-01-01

    L. Wang, Wei Pan, Dan Han, W. X. Hu, D. Y. Sun

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  14. Interfacial Control of Ferromagnetism in Ultrathin SrRuO3 Films Sandwiched between Ferroelectric BaTiO3 Layers

    ACS Applied Materials & Interfaces · 2020-01-13

    Youdi Gu, Cheng Song, Qinghua Zhang, Fan Li, Hengxin Tan, Kun Xu, Jia Li, Muhammad Shahrukh Saleem, Muhammad Umer Fayaz, Jingjing Peng, Fengxia Hu, Lin Gu, Wei Liu, Zhang Zhi-dong, Feng Pan

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  15. An Unconventional Transient Phase with Cycloidal Order of Polarization in Energy‐Storage Antiferroelectric PbZrO3

    Advanced Materials · 2020-01-24

    Xian‐Kui Wei, Chun‐Lin Jia, Hongchu Du, Krystian Roleder, Joachim Mayer, Rafal E. Dunin‐Borkowski

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  16. Room-temperature polar metal stabilized under high pressure

    Physical review. B./Physical review. B · 2020-06-02

    Junjie Gao, Suyu Fu, Kazunari Yamaura, Jung‐Fu Lin, Jianshi Zhou

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  17. Flexopiezoelectricity at ferroelastic domain walls in WO3 films

    Nature Communications · 2020-09-29

    Shinhee Yun, Kyung Song, Kanghyun Chu, Soo-Yoon Hwang, Gi‐Yeop Kim, Jeongdae Seo, Chang-Su Woo, Si‐Young Choi, Chan‐Ho Yang

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  18. Stabilizing hidden room-temperature ferroelectricity via a metastable atomic distortion pattern

    Nature Communications · 2020-10-02

    Jeong Rae Kim, Jinhyuk Jang, Kyoung‐June Go, Se Young Park, Chang Jae Roh, John Bonini, Jinkwon Kim, Han Gyeol Lee, Karin M. Rabe, Jong Seok Lee, Si‐Young Choi, Tae Won Noh, Daesu Lee

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  19. Unraveling the Suppression of Oxygen Octahedra Rotations in A3B2O7 Ruddlesden-Popper Compounds: Engineering Multiferroicity and Beyond

    Physical Review Letters · 2020-10-08

    Yajun Zhang, Jie Wang, Philippe Ghosez

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  20. Unusual magnetic transitions and phonon instabilities in tetragonal SrIrO3 under epitaxial strain

    Journal of Magnetism and Magnetic Materials · 2020-11-20

    Ye Yuan, Yue‐Wen Fang, Ni Zhong, Ping‐Hua Xiang, Chun‐Gang Duan

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  21. Cooperative evolution of polar distortion and nonpolar rotation of oxygen octahedra in oxide heterostructures

    Science Advances · 2021-04-21

    Taewon Min, Wooseon Choi, Jinsol Seo, Gyeongtak Han, Kyung Song, Sangwoo Ryu, Hyungwoo Lee, Jung-Woo Lee, Jung-Woo Lee, Kitae Eom, Chang-Beom Eom, Hu Young Jeong, Young‐Min Kim, Jaekwang Lee, Jaekwang Lee, Sang Ho Oh

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  22. Crystal Structure and the Spectral Response of the Ba‐Doped SrTiO3 Incipient Ferroelectrics

    physica status solidi (b) · 2021-04-29

    Ekaterina D. Linnik, Igor A. Luk’yanchuk, A.S. Mikheykin, A. V. Ragulya, Boris P. Gorshunov, Liudmila N. Alyabyeva, Sergey S. Zhukov, Daoud Mezzane, Anna Grigoryevna Razumnaya

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  23. Ab initio description of oxygen vacancies in epitaxially strained $$\hbox {SrTiO}_{{3}}$$ at finite temperatures

    Scientific Reports · 2021-06-01

    Zizhen Zhou, Dewei Chu, Claudio Cazorla

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  24. Understanding the correlation between intermediate monoclinic phase (Cc) and piezoelectric properties in NaNbO3-BaTiO3-CaZrO3 ternary system with octahedral tilt

    Acta Materialia · 2021-06-18

    Jian Fu, He Qi, Aiwen Xie, Ao Tian, Ruzhong Zuo

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  25. Strain and temperature-dependent dielectric permittivity of cubic SrTiO3: Self-consistent phonon theory calculations

    Current Applied Physics · 2021-06-19

    Woon Ih Choi, Jae Sik An, Inkook Jang, Dae Sin Kim

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  26. Hybrid System Combining Two-Dimensional Materials and Ferroelectrics and Its Application in Photodetection

    ACS Nano · 2021-06-29

    Yanxiao Sun, Gang Niu, Wei Ren, Xiangjian Meng, Jinyan Zhao, Wenbo Luo, Zuo‐Guang Ye, Ya‐Hong Xie

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  27. Non- d0 ferroelectricity from semicovalent superexchange in bismuth ferrite

    Physical review. B./Physical review. B · 2021-07-15

    Yang Shen, Xiangang Wan, Qingbiao Zhao, Gang Li, Chun‐Gang Duan

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  28. Energetic Couplings in Ferroics

    Advanced Electronic Materials · 2021-10-08

    Hong Jian Zhao, Peng Chen, Sergey Prosandeev, Charles Paillard, Kinnary Y. Patel, Jorge Íñiguez, L. Bellaïche

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  29. Pressure-induced metal–insulator transition in oxygen-deficient LiNbO3-type ferroelectrics

    Journal of Physics Condensed Matter · 2021-10-08

    Chengliang Xia, Yue Chen, Hanghui Chen

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  30. Octahedral rotations in Ruddlesden-Popper layered oxides under pressure from first principles

    Physical review. B./Physical review. B · 2021-10-12

    Sriram Poyyapakkam Ramkumar, Elizabeth Nowadnick

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  31. Design of oxygen vacancy in BiFeO3-based films for higher photovoltaic performance

    Applied Surface Science · 2021-10-28

    Tiantian Yang, Jie Wei, Zehao Sun, Yunpeng Li, Zhiting Liu, Youlong Xu, Guogang Chen, Tiangang Wang, Hai Sun, Zhenxiang Cheng

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  32. Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles

    Annual Review of Condensed Matter Physics · 2021-12-06

    Philippe Ghosez, Javier Junquera

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  33. Structural Phase Transition and In-Situ Energy Storage Pathway in Nonpolar Materials: A Review

    Materials · 2021-12-18

    Xian‐Kui Wei, Rafal E. Dunin‐Borkowski, Joachim Mayer

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  34. Ferroelectric to incommensurate fluctuations crossover in PbHfO3−PbSnO3

    Physical review. B./Physical review. B · 2022-01-04

    Maria A. Kniazeva, Alexander E. Ganzha, Irena Jankowska‐Sumara, Marek Antoni Pasciak, A. Majchrowski, Alexey Vladimirovich Filimonov, Andrey Ivanovich Rudskoy, Krystian Roleder, Бурковский Роман Георгиевич

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  35. An overview of SrRuO3-based heterostructures for spintronic and topological phenomena

    Journal of Physics D Applied Physics · 2022-01-28

    Youdi Gu, Qian Wang, Weijin Hu, Wei Liu, Zhang Zhi-dong, Feng Pan, Cheng Song

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  36. Deterministic control of ferroelectric polarization by ultrafast laser pulses

    Nature Communications · 2022-05-10

    Peng Chen, Charles Paillard, Hong Jian Zhao, Jorge Íñiguez, L. Bellaïche

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  37. Computational studies on magnetism and ferroelectricity

    Chinese Physics B · 2022-06-22

    Ke Xu, Junsheng Feng, Hongjun Xiang

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  38. Hybrid Improper Ferroelectricity: A Theoretical, Computational, and Synthetic Perspective

    Annual Review of Materials Research · 2022-07-01

    Nicole A. Benedek, Michael A. Hayward

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  39. Enzyme-nanozyme cascade colorimetric sensor platform: a sensitive method for detecting human serum creatinine

    Analytical and Bioanalytical Chemistry · 2022-07-12

    Jing Zhu, Jie Pan, Yingchun Li, Jiao Yang, Bang‐Ce Ye

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  40. Deciphering the atomic-scale structural origin for large dynamic electromechanical response in lead-free Bi0.5Na0.5TiO3-based relaxor ferroelectrics

    Nature Communications · 2022-10-25

    Jie Yin, Xiaoming Shi, Hong Tao, Zhi Tan, Xiang Lv, Xiangdong Ding, Jun Feng Sun, Yang Zhang, Xingmin Zhang, Kui Yao, Jianguo Zhu, Houbing Huang, Haijun Wu, Shujun J. Zhang, Jiagang Wu

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  41. Controlled properties of perovskite oxide films by engineering oxygen octahedral rotation

    JUSTC · 2023-01-01

    Junhua Liu, Xiaofei Gao, Wen Xiao, Shilin Hu, Yaoyao Ji, Lin Li, Kai Chen, Zhaoliang Liao

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  42. Ferroelastic twin domain patterns and polar domain walls of BiVO4 thin films via phase-field simulations

    Acta Materialia · 2023-08-26

    Ren‐Ci Peng, Xiaoxing Cheng, Pao‐Wen Shao, Fei Xue, Ying‐Hao Chu, Long‐Qing Chen, Yichun Zhou

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  43. Structural Properties of Two-Dimensional Strontium Titanate: A First-Principles Investigation

    Journal of the Physical Society of Japan · 2023-10-26

    Shota Ono, Yu Kumagai

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  44. Origin of antiferroelectricity in NaNbO3

    Physical Review Materials · 2024-01-22

    Niloofar Hadaeghi, Mian Dai, Yixuan Zhang, Ruiwen Xie, Hamid Nouri, Hongbin Zhang

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  45. Quenched lattice fluctuations in optically driven SrTiO3

    Nature Materials · 2024-02-01

    M. Fechner, M. Först, Gal Orenstein, Viktor Krapivin, Ankit S. Disa, M. Buzzi, Alexander von Hoegen, Gilberto A. de la Peña, Quynh L. Nguyen, Roman Mankowsky, Mathias Sander, Henrik Till Lemke, Yongqing Deng, Mariano Trigo, A. Cavalleri

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  46. Few-layer perovskite YMnO3 : A first-principles study

    Physical review. B./Physical review. B · 2024-03-26

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  47. Universal Polar Instability in Highly Orthorhombic Perovskites

    Journal of the American Chemical Society · 2024-10-16

    Cameron A. M. Scott, Nicholas C. Bristowe

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  48. Chemical control of polymorphism and ferroelectricity in PbTiO 3 and SrTiO 3 monolayers and bilayers

    Physical Chemistry Chemical Physics · 2025-01-01

    Shaowen Xu, Jeffrey R. Reimers, Fanhao Jia, Wei Li Ren

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  49. Observation of polaronic state assisted sub-bandgap saturable absorption

    Opto-Electronic Advances · 2025-01-01

    Li Zhou, Yiduo Wang, Jianlong Kang, Jianlong Kang, Xin Li, Quan Long, Xianming Zhong, Zhihui Chen, Chuan‐Jia Tong, Keqiang Chen, Zi‐Lan Deng, Zhengwei Zhang, Chuan‐Cun Shu, Yongbo Yuan, Xiang Ni, Si Xiao, Xiangping Li, Yingwei Wang, Yingwei Wang, Jun He

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  50. Incipient ferroelectricity in methylammonium lead halide perovskites

    Communications Materials · 2025-04-23

    Alexei A. Bokov, Maryam Bari, Zuo‐Guang Ye

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