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RESEARCH PAPER · Chemistry of Materials · 2015

Proper Ferroelectricity in the Dion–Jacobson Material CsBi2Ti2NbO10: Experiment and Theory

Emma E. McCabe, Éric Bousquet, Christopher P. J. Stockdale, Charles A. Deacon, T. Thao Tran, P. Shiv Halasyamani, Martin Christopher. Stennett, Neil Christian Hyatt

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Proper Ferroelectricity in the Dion–Jacobson Material CsBi2Ti2NbO10: Experiment and TheoryOriginalNdBaScO 4 : aristotype of a new family of geometric ferroelectrics?16ChemInform Abstract: Proper Ferroelectricity in the Dion—Jacobson Material CsBi2Ti2NbO10: Experiment and Theory.0Two New Non-centrosymmetric n = 3 Layered Dion–Jacobson Perovskites: Polar RbBi2Ti2NbO10 and Nonpolar CsBi2Ti2TaO1057Large enhancement of piezoelectric properties in Mn-modified SrBi4Ti4O15 and its thermal stabilities at elevated temperatures35On the “alpha-phase” of Ca2−xSrxMnO4 and extending the chemistry of Sr7−yCayMn4O15 to y>13Phase Transition Behavior of the Layered Perovskite CsBi0.6La0.4Nb2O7: A Hybrid Improper Ferroelectric12The origin of uniaxial negative thermal expansion in layered perovskites56Nanoarchitectonics in dielectric/ferroelectric layered perovskites: from bulk 3D systems to 2D nanosheets62Insights into the polymorphism of Bi 2 W 2 O 9 : single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties11Ferroelectric Sr 3 Zr 2 O 7 : Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms132Oxide-ion conduction in the Dion–Jacobson phase CsBi2Ti2NbO10−δ93Synergistic Influence of d0 (Nb5+) and d10 (Cd2+) Cations in Stabilizing Noncentrosymmetric Dion–Jacobson Layered Perovskites, A′Cd2Nb3O10 (A′ = Rb, Cs)12Phase transitions in RbPrNb2O7, a layer structured ferroelectric with a high Curie point26Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in Cs Ln 2Ti2NbO10 Dion-Jacobson Phases22The influence of the 6s 2 configuration of Bi 3+ on the structures of A′BiNb 2 O 7 (A′ = Rb, Na, Li) layered perovskite oxides10Negative thermal expansion: Mechanisms and materials177Structural chemistry of layered lead halide perovskites containing single octahedral layers59Phonon anharmonicity: a pertinent review of recent progress and perspective77Review of experimental progress of hybrid improper ferroelectricity in layered perovskite oxides36Point defect induced incommensurate dipole moments in the KCa2Nb3O10 Dion-Jacobson layered perovskite4Visible-light excited polar Dion–Jacobson Rb(Bi 1− x Eu x ) 2 Ti 2 NbO 10 perovskites: photoluminescence properties and in vitro bioimaging20Dion–Jacobson A′M iii NaNb 3 O 10 (A′ = Rb, Cs; M( iii ) = Sm, Bi) and RbSmNa 2 Nb 4 O 13 layered perovskites and their luminescent function8Explicating the irreversible electric-field-assisted ferroelectric phase transition in the otherwise antiferroelectric sodium niobate for energy storage systems16New Oxide-Ion Conductors of Dion–Jacobson-Type Layered Perovskites CsBi2Ti2NbO10-δ1New Oxide-Ion Conductors of Dion–Jacobson-Type Layered Perovskites CsLn2Ti2NbO10 (Ln = La, Pr, Nd, Sm, Gd, Ho, and Yb) and CsLa2–xMxTi2+yNb1–yO10–x/2–y/2 (M = Ca, Sr, and Ba; x = 0, 0.1; y = 0.1, 0, and –0.1)0Designing new polar materials1Multianion induced out-of-plane proper polarization in oxyfluoride Aurivillius Bi2TiO4F28Local atomic structure distortions in the Dion-Jacobson ferroelectric CsBiNb2O71Synthesis, crystal structure and photocatalytic activity of new Dion-Jacobson type titanoniobates18Recent developments in oxide ion conductors: focusing on Dion–Jacobson phases42Hydrogen generation ability of B-site substituted two-dimensional Can-1Tin-3Nb3O3n+1− perovskite nanosheets in photoelectrochemical cell4Solid State Processing of BCZT Piezoceramics Using Ultra Low Synthesis and Sintering Temperatures17Second Harmonic Generation in the Polar A′SmNb2O7 (A′ = Rb, Cs) Dion–Jacobson Layered Perovskites11Influence of the Addition of Rare Earth Elements on the Energy Storage and Optical Properties of Bi0.5Na0.5TiO3–0.06BaTiO3 Polycrystalline Thin Films7Ferroelectric, Dielectric and Electromechanical Performance of Ba0.92Ca0.08Ti0.95Zr0.05O3 Ceramics with an Enhanced Curie Temperature12Modularity, polytypism, topology, and complexity of crystal structures of inorganic compounds (Review)32Ferroelectricity in CsPb 2 Nb 3 O 10 and exfoliated 2D nanosheets4Computational Insights into Dion–Jacobson Type Oxide Ion Conductors9Realization of new n = 3 and n = 4 Dion-Jacobson layered perovskite series with interlayer K+ ions and perovskite blocks stabilized by Pr3+ ions6Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation3Atomic Layer Engineering of Ferroelectricity in Dion–Jacobson Perovskites12Structural chemistry of the n = 3 Dion–Jacobson phases: controlling polarity and band gap3Dion–Jacobson (n = 2) Layered Perovskites (A′SmTa2O7; A′ = Rb, Cs) As Potential Ferroelectric Materials6Investigation of energy storage in 2D Dion-Jacobson type materials using promised DFT + U approach4Structural distortions leading to potential polar materials in n $=$ 3 and 4 Dion–Jacobson-layered perovskite series1A DFT analysis on the electronic, mechanical, optical, elastic, structural and thermodynamic properties of XBiNb2O7 (X = Cs, Rb, K and Na) for photovoltaic applications24Structural Phase Transitions in Layered Perovskite CsFeF4${\rm CsFeF}_{4}$ and Weak Polar Response in CsFeF4${\rm CsFeF}_{4}$/RbFeF4${\rm RbFeF}_{4}$ Superlattice0Theoretical Evaluation of Multifunctional Properties of Thermodynamically Stable Dion Jacobson Family Members LiBiNb 2 O 7 and FrBiNb 2 O 7 for Optoelectronic Devices1Diverse Polymorphism in Ruddlesden-Popper Chalcogenides1A study focusing on the influence of multiple cationic substitutions in Dion–Jacobson ( n = 2) layered perovskite oxides0Theoretical multifunctional investigations for CsXNb2O7 (X = La, Lu, In and Ga) for next-generation optical devices under visible and UV radiations4Boron-pnictogen donor-acceptor bonding as a perovskite design principle: DFT case study of quasi 0D A(BX3)2 (A=BeBH3, MgBH3; B=Sb, Bi; X=I)2Synthesis, crystal structure and high-temperature investigation of new Dion-Jacobson type titanoniobates0Atomic-Scale Visualization of Competing Polar Orders in Dion–Jacobson Layered Perovskites2Synthesis, structural characterization and thermal behavior of KLnNaNb3O10 (Ln = La, Pr, Nd) layered niobates0Electronic properties and phase transitions of ACa2Nb3O10 (A = K, Rb): experimental study and quantum chemical calculations0

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  1. NdBaScO 4 : aristotype of a new family of geometric ferroelectrics?

    Chemical Communications · 2016-01-01

    Amber K. Cochrane, Michael Telfer, Charlotte A. L. Dixon, Weiguo Zhang, P. Shiv Halasyamani, Éric Bousquet, Philip Lightfoot

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  2. ChemInform Abstract: Proper Ferroelectricity in the Dion—Jacobson Material CsBi2Ti2NbO10: Experiment and Theory.

    ChemInform · 2016-02-01

    Emma E. McCabe, Éric Bousquet, Christopher P. J. Stockdale, Charles A. Deacon, T. Thao Tran, P. Shiv Halasyamani, Martin Christopher. Stennett, Neil Christian Hyatt

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  3. Two New Non-centrosymmetric n = 3 Layered Dion–Jacobson Perovskites: Polar RbBi2Ti2NbO10 and Nonpolar CsBi2Ti2TaO10

    Chemistry of Materials · 2016-03-23

    Hyung Gu Kim, T. Thao Tran, Woongjin Choi, Tae‐Soo You, P. Shiv Halasyamani, Kang Min Ok

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  4. Large enhancement of piezoelectric properties in Mn-modified SrBi4Ti4O15 and its thermal stabilities at elevated temperatures

    Ceramics International · 2016-04-14

    Zhao-Peng Cao, Chun‐Ming Wang, Kenny Lau, Qian Wang, Qing-Wei Fu, Hu-He Tian, De-Fu Yin

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  5. On the “alpha-phase” of Ca2−xSrxMnO4 and extending the chemistry of Sr7−yCayMn4O15 to y>1

    Journal of Solid State Chemistry · 2017-01-31

    Sarah Craddock, Mark S. Senn

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  6. Phase Transition Behavior of the Layered Perovskite CsBi0.6La0.4Nb2O7: A Hybrid Improper Ferroelectric

    Crystals · 2017-05-13

    Charlotte A. L. Dixon, Jason A. McNulty, Kevin S. Knight, Alexandra S. Gibbs, Philip Lightfoot

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  7. The origin of uniaxial negative thermal expansion in layered perovskites

    npj Computational Materials · 2017-10-05

    Chris Ablitt, Sarah Craddock, Mark S. Senn, Arash A. Mostofi, Nicholas C. Bristowe

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  8. Nanoarchitectonics in dielectric/ferroelectric layered perovskites: from bulk 3D systems to 2D nanosheets

    Dalton Transactions · 2017-11-22

    Minoru Osada, Takayoshi Sasaki

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  9. Insights into the polymorphism of Bi 2 W 2 O 9 : single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties

    CrystEngComm · 2018-01-01

    Xiangxin Tian, Zeliang Gao, Feifei Chen, Qian Wu, Conggang Li, Weiqun Lu, Youxuan Sun, Xutang Tao

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  10. Ferroelectric Sr 3 Zr 2 O 7 : Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms

    Advanced Functional Materials · 2018-05-28

    Suguru Yoshida, Koji Fujita, Hirofumi Akamatsu, Olivier Hernandez, Arnab Sen Gupta, Forrest G. Brown, Haricharan Padmanabhan, Alexandra S. Gibbs, Toshihiro Kuge, Ryosuke Tsuji, Shunsuke Murai, James M. Rondinelli, Venkatraman Gopalan, Katsuhisa Tanaka

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  11. Oxide-ion conduction in the Dion–Jacobson phase CsBi2Ti2NbO10−δ

    Nature Communications · 2020-03-06

    Wenrui Zhang, Kotaro Fujii, Eiki Niwa, Masato Hagihala, Takashi Kamiyama, Masatomo Yashima

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  12. Synergistic Influence of d0 (Nb5+) and d10 (Cd2+) Cations in Stabilizing Noncentrosymmetric Dion–Jacobson Layered Perovskites, A′Cd2Nb3O10 (A′ = Rb, Cs)

    Inorganic Chemistry · 2020-05-28

    Shalu Atri, Meenakshi Pokhriyal, S. Uma

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  13. Phase transitions in RbPrNb2O7, a layer structured ferroelectric with a high Curie point

    Acta Materialia · 2020-09-22

    Zhongna Yan, Dou Zhang, Xuefan Zhou, Man Zhang, Yajun Yue, Ludan Zhang, Guoliang Xue, Hang Luo, Isaac Abrahams, Haixue Yan

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  14. Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in Cs Ln 2Ti2NbO10 Dion-Jacobson Phases

    Chemistry of Materials · 2020-09-22

    Vanessa A. Cascos, Jennifer Roberts-Watts, Chloe Skingle, Igor Levin, Weiguo Zhang, P. Shiv Halasyamani, Martin Christopher. Stennett, Neil Christian Hyatt, Éric Bousquet, Emma E. McCabe

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  15. The influence of the 6s 2 configuration of Bi 3+ on the structures of A′BiNb 2 O 7 (A′ = Rb, Na, Li) layered perovskite oxides

    Dalton Transactions · 2021-01-01

    Subhadip Mallick, Guru Khalsa, Jeffrey Z. Kaaret, Weiguo Zhang, Maria Batuk, Alexandra S. Gibbs, Joke Hadermann, P. Shiv Halasyamani, Nicole A. Benedek, Michael A. Hayward

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  16. Negative thermal expansion: Mechanisms and materials

    Frontiers of Physics · 2021-06-01

    Erjun Liang, Qiang Sun, Huanli Yuan, Jiaqi Wang, Gaojie Zeng, Qilong Gao

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  17. Structural chemistry of layered lead halide perovskites containing single octahedral layers

    IUCrJ · 2021-06-30

    Jason A. McNulty, Philip Lightfoot

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  18. Phonon anharmonicity: a pertinent review of recent progress and perspective

    Science China Physics Mechanics and Astronomy · 2021-09-28

    Bin Wei, Qiyang Sun, Chen W. Li, Jiawang Hong

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  19. Review of experimental progress of hybrid improper ferroelectricity in layered perovskite oxides

    Journal of Physics D Applied Physics · 2021-10-22

    Bi Hui Zhang, Xiao Qiang Liu, Xiang Ming Chen

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  20. Point defect induced incommensurate dipole moments in the KCa2Nb3O10 Dion-Jacobson layered perovskite

    Physical review. B./Physical review. B · 2021-12-16

    Jing Kong, Sanjeev K. Nayak, Kevin Co, Sanjib Nayak, Jingkun Wu, Antonio M. Feteira, Kevin A. Beyer, S. P. Alpay, Abhijit Pramanick

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  21. Visible-light excited polar Dion–Jacobson Rb(Bi 1− x Eu x ) 2 Ti 2 NbO 10 perovskites: photoluminescence properties and in vitro bioimaging

    Journal of Materials Chemistry B · 2021-12-31

    Debendra Prasad Panda, Akash Kumar Singh, Tapas Kumar Kundu, Athinarayanan Sundaresan

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  22. Dion–Jacobson A′M iii NaNb 3 O 10 (A′ = Rb, Cs; M( iii ) = Sm, Bi) and RbSmNa 2 Nb 4 O 13 layered perovskites and their luminescent function

    Journal of Materials Chemistry C · 2022-01-01

    Sachin Pal, Subrata K. Das, R. Nagarajan, S. Uma

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  23. Explicating the irreversible electric-field-assisted ferroelectric phase transition in the otherwise antiferroelectric sodium niobate for energy storage systems

    Journal of Materials Chemistry C · 2022-01-01

    Kwangrae Kim, Woohyun Hwang, Ji‐Hwan Lee, Aloysius Soon

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  24. New Oxide-Ion Conductors of Dion–Jacobson-Type Layered Perovskites CsBi2Ti2NbO10-δ

    Springer theses · 2022-01-01

    Wenrui Zhang

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  25. New Oxide-Ion Conductors of Dion–Jacobson-Type Layered Perovskites CsLn2Ti2NbO10 (Ln = La, Pr, Nd, Sm, Gd, Ho, and Yb) and CsLa2–xMxTi2+yNb1–yO10–x/2–y/2 (M = Ca, Sr, and Ba; x = 0, 0.1; y = 0.1, 0, and –0.1)

    Springer theses · 2022-01-01

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  26. Designing new polar materials

    Elsevier eBooks · 2022-01-28

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  27. Multianion induced out-of-plane proper polarization in oxyfluoride Aurivillius Bi2TiO4F2

    Journal of Physics and Chemistry of Solids · 2022-04-02

    Sarah Benomar, Éric Bousquet, Hania Djani

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  28. Local atomic structure distortions in the Dion-Jacobson ferroelectric CsBiNb2O7

    Physical review. B./Physical review. B · 2022-07-06

    Jing Kong, Sanjeev K. Nayak, Jue Liu, S. P. Alpay, Abhijit Pramanick

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  29. Synthesis, crystal structure and photocatalytic activity of new Dion-Jacobson type titanoniobates

    Journal of Solid State Chemistry · 2022-08-01

    О. В. Крашенинникова, E.V. Syrov, S. M. Smirnov, Evgeny V. Suleimanov, Diana Georgievna Fukina, Alexander Vladimirovich Knyazev, Dmitry N. Titaev

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  30. Recent developments in oxide ion conductors: focusing on Dion–Jacobson phases

    Chemical Communications · 2022-11-15

    Wenrui Zhang, Masatomo Yashima

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  31. Hydrogen generation ability of B-site substituted two-dimensional Can-1Tin-3Nb3O3n+1− perovskite nanosheets in photoelectrochemical cell

    Surfaces and Interfaces · 2023-01-04

    Thi Bao Ngoc Le, Chia-Wei Chang, Yen‐Hsun Su

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  32. Solid State Processing of BCZT Piezoceramics Using Ultra Low Synthesis and Sintering Temperatures

    Materials · 2023-01-19

    Marzia Mureddu, José F. Bartolomé, S. López-Esteban, Maria Dore, Stefano Enzo, Álvaro García, Sebastiano Garroni, Lorena Pardo

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  33. Second Harmonic Generation in the Polar A′SmNb2O7 (A′ = Rb, Cs) Dion–Jacobson Layered Perovskites

    Chemistry of Materials · 2023-01-23

    Sachin Pal, R. Nagarajan, S. Uma

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  34. Influence of the Addition of Rare Earth Elements on the Energy Storage and Optical Properties of Bi0.5Na0.5TiO3–0.06BaTiO3 Polycrystalline Thin Films

    Materials · 2023-03-09

    Ilham Hamdi Alaoui, Moussa Mebarki, N. Lemée, F. Le Marrec, Anna Cantaluppi, Delphine Favry, Abdelilah Lahmar

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  35. Ferroelectric, Dielectric and Electromechanical Performance of Ba0.92Ca0.08Ti0.95Zr0.05O3 Ceramics with an Enhanced Curie Temperature

    Materials · 2023-03-11

    Ana Cristina Hernández-Moreno, Armando Reyes‐Montero, Brenda Carreño-Jiménez, Mónica Acuautla, Lorena Pardo

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  36. Modularity, polytypism, topology, and complexity of crystal structures of inorganic compounds (Review)

    Journal of Structural Chemistry · 2023-10-01

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  37. Ferroelectricity in CsPb 2 Nb 3 O 10 and exfoliated 2D nanosheets

    Dalton Transactions · 2024-01-01

    Yan Li, Masanari Shimada, Makoto Kobayashi, Eisuke Yamamoto, Rubén Cantón-Vitoria, Xiaoyan Liu, Minoru Osada

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  38. Computational Insights into Dion–Jacobson Type Oxide Ion Conductors

    The Journal of Physical Chemistry C · 2024-05-24

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  39. Realization of new n = 3 and n = 4 Dion-Jacobson layered perovskite series with interlayer K+ ions and perovskite blocks stabilized by Pr3+ ions

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  40. Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation

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  41. Atomic Layer Engineering of Ferroelectricity in Dion–Jacobson Perovskites

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  42. Structural chemistry of the n = 3 Dion–Jacobson phases: controlling polarity and band gap

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  43. Dion–Jacobson (n = 2) Layered Perovskites (A′SmTa2O7; A′ = Rb, Cs) As Potential Ferroelectric Materials

    The Journal of Physical Chemistry C · 2025-03-11

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  44. Investigation of energy storage in 2D Dion-Jacobson type materials using promised DFT + U approach

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  45. Structural distortions leading to potential polar materials in n $$=$$ 3 and 4 Dion–Jacobson-layered perovskite series

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  46. A DFT analysis on the electronic, mechanical, optical, elastic, structural and thermodynamic properties of XBiNb2O7 (X = Cs, Rb, K and Na) for photovoltaic applications

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  47. Structural Phase Transitions in Layered Perovskite CsFeF4${\rm CsFeF}_{4}$ and Weak Polar Response in CsFeF4${\rm CsFeF}_{4}$/RbFeF4${\rm RbFeF}_{4}$ Superlattice

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  48. Theoretical Evaluation of Multifunctional Properties of Thermodynamically Stable Dion Jacobson Family Members LiBiNb 2 O 7 and FrBiNb 2 O 7 for Optoelectronic Devices

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  49. Diverse Polymorphism in Ruddlesden-Popper Chalcogenides

    Physical Review Letters · 2025-12-24

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  50. A study focusing on the influence of multiple cationic substitutions in Dion–Jacobson ( n = 2) layered perovskite oxides

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