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RESEARCH PAPER · The Journal of Physical Chemistry C · 2019

Two-Dimensional Fluorine Distribution in a Heavily Distorted Perovskite Nickel Oxyfluoride Revealed by First-Principles Calculation

Yuji Kurauchi, Tsukasa Katayama, Akira Chikamatsu, Tetsuya Hasegawa

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Two-Dimensional Fluorine Distribution in a Heavily Distorted Perovskite Nickel Oxyfluoride Revealed by First-Principles CalculationOriginalSymmetry and the Role of the Anion Sublattice in Aurivillius Oxyfluoride Bi2TiO4F218O/F anion order in Pb$_2$Ti$_4$O$_9$F$_2$ stabilized by the 6$s^2$ lone pair electrons of Pb$^{2+}$0Strain-engineered high-temperature ferromagnetic oxygen-substituted NaMnF3 from first principles5Improvement of electric insulation in dielectric layered perovskite nickelate films via fluorination8Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theory3Atomic-scale observation of geometric reconstruction in a fluorine-intercalated infinite layer nickelate superlattice2

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  1. Symmetry and the Role of the Anion Sublattice in Aurivillius Oxyfluoride Bi2TiO4F2

    Inorganic Chemistry · 2021-09-01

    A. T. Giddings, Euan A. S. Scott, Martin Christopher. Stennett, David C. Apperley, Colin Greaves, Neil Christian Hyatt, Emma E. McCabe

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  2. O/F anion order in Pb$_2$Ti$_4$O$_9$F$_2$ stabilized by the 6$s^2$ lone pair electrons of Pb$^{2+}$

    arXiv (Cornell University) · 2021-09-28

    Kengo Oka, Tom Ichibha, Daichi Kato, Mitsunobu Iwasaki, Naoki Noma, Kenta Hongo, Ryo Maezono, Fernando Agustín Reboredo

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  3. Strain-engineered high-temperature ferromagnetic oxygen-substituted NaMnF3 from first principles

    Physical review. B./Physical review. B · 2021-11-19

    Wenning Ren, Kuijuan Jin, Er‐Jia Guo, Chen Ge, Can Wang, Xiulai Xu, Hongbao Yao, Litong Jiang, Guo-Zhen Yang

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  4. Improvement of electric insulation in dielectric layered perovskite nickelate films via fluorination

    Journal of Materials Chemistry C · 2021-12-22

    Takuma Nishimura, Tsukasa Katayama, Shishin Mo, Akira Chikamatsu, Tetsuya Hasegawa

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  5. Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theory

    Dalton Transactions · 2022-01-01

    Kengo Oka, Tom Ichibha, Daichi Kato, Yasuto Noda, Yusuke Tominaga, Kosei Yamada, Mitsunobu Iwasaki, Naoki Noma, Kenta Hongo, Ryo Maezono, Fernando Agustín Reboredo

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  6. Atomic-scale observation of geometric reconstruction in a fluorine-intercalated infinite layer nickelate superlattice

    Nature Communications · 2025-04-06

    Chao Yang, R. A. Ortiz, Hongguang Wang, Wilfried Sigle, Kelvin Anggara, E. Benckiser, B. Keimer, Peter A. van Aken

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