Papers citing Key Role of Covalent Bonding in Octahedral Tilting in Perovskites
Effect of impurity elements on the structural stability and electronic state in tin iodide perovskite
Journal of Solid State Chemistry · 2020-10-12
J. Yamasaki, Satoshi Iikubo, Kumiko Yamamoto, Kaori Tanaka, Yuhei Ogomi, Shuzi Hayase
Read original paper ↗ ·Iron–oxygen covalency in perovskites to dominate syngas yield in chemical looping partial oxidation
Journal of Materials Chemistry A · 2021-01-01
Bo Quan Jiang, Lin Li, Qian Zhang, Jing Ma, Haotian Zhang, Kewei Yu, Zhoufeng Bian, Xiaoliang Zhang, Xuehu Ma, Dawei Tang
Read original paper ↗ ·The ferromagnetic and anti-ferromagnetic phases (cubic, tetragonal, orthorhombic) of KMnF 3 . A quantum mechanical investigation
Physical Chemistry Chemical Physics · 2021-01-01
Fabien Pascale, Philippe D’Arco, Roberto Dovesi
Read original paper ↗ ·Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites
Materials Today · 2021-08-20
Xin-Gang Zhao, Zhi Wang, Oleksandr I. Malyi, Alex Zunger
Read original paper ↗ ·Heteroanionic Ruddlesden-Popper ferroelectrics from anion order and octahedral tilts
Physical Review Materials · 2021-10-11
Jaye K. Harada, Kenneth Reinhard Poeppelmeier, James M. Rondinelli
Read original paper ↗ ·The superexchange mechanism in crystalline compounds. The case of KMF3 (M = Mn, Fe, Co, Ni) perovskites
Journal of Physics Condensed Matter · 2021-11-05
Fabien Pascale, Philippe D’Arco, Valentina Lacivita, Roberto Dovesi
Read original paper ↗ ·Electronic Origin of Non-Zone-Center Phonon Condensation: Octahedral Rotation as a Case Study
Physical Review Letters · 2021-11-19
Suguru Yoshida, Hirofumi Akamatsu, Katsuro Hayashi
Read original paper ↗ ·Quantum mechanical simulation of various phases of KVF3 perovskite
Journal of Physics Condensed Matter · 2022-04-21
Khaled E. El‐Kelany, Fabien Pascale, Alexander Platonenko, Anna Maria Ferrari, Roberto Dovesi
Read original paper ↗ ·Influence of composition variation on structural, magnetic and dielectric properties of Gd3Fe5O12(x)/MgFe2O4(1−x) composite
Indian Journal of Physics · 2022-05-24
Anjori Sharma, Sachin Kumar Godara, A. K. Srivastava
Read original paper ↗ ·Structural and Magnetic Properties of Some Vacancy-Ordered Osmium Halide Perovskites
Inorganic Chemistry · 2022-09-26
Matilde Saura Muzquiz, Maxim Avdeev, Helen E. A. Brand, Brendan J. Kennedy
Read original paper ↗ ·Octahedra-Tilted Control of Displacement Disorder and Dielectric Relaxation in Mn-Doped SrTiO 3 Single Crystals
The Journal of Physical Chemistry Letters · 2022-12-13
Mikhail V. Talanov, Adam I. Stash, С. А. Иванов, Elena S. Zhukova, Boris P. Gorshunov, Boris M. Nekrasov, Vasily S. Stolyarov, Vladislav I. Kozlov, M. Savinov, Alexander A. Bush
Read original paper ↗ ·Chemical Aspect of Displacive-Type Ferroaxial Phase Transition from Perspective of Second-Order Jahn–Teller Effect: NASICON Systems as an Example
Journal of the American Chemical Society · 2023-03-29
Takayuki Nagai, Yasuhide Mochizuki, Suguru Yoshida, T. Kimura
Read original paper ↗ ·Chemical Switching of Ferroaxial and Nonferroaxial Structures Based on Second-Order Jahn–Teller Activity in (Na,K)2Hf(BO3)2
Chemistry of Materials · 2023-05-06
Takayuki Nagai, T. Kimura
Read original paper ↗ ·A Unifying Perspective of Common Motifs That Occur across Disparate Classes of Materials Harboring Displacive Phase Transitions
Advanced Energy Materials · 2023-06-27
Anna Grünebohm, Andreas Hütten, A. E. Böhmer, Jan A. Frenzel, Ilya Eremin, Ralf Drautz, Inga Ennen, Luana Caron, Timo Kuschel, Frank Lechermann, Dario Anselmetti, T. Dahm, F. Weber, Kai Roßnagel, Gabi Schierning
Read original paper ↗ ·Predicting Distortion Magnitudes in Prussian Blue Analogues
Journal of the American Chemical Society · 2023-11-06
John Cattermull, Mauro Pasta, Andrew L. Goodwin
Read original paper ↗ ·Fabrication and characterization of suspended La0.7Sr0.3MnO3 nanofibers for high-sensitive and fast-responsive infrared bolometer
Journal of Micromechanics and Microengineering · 2023-11-07
Nirupam Paul, Sudharsan Vadnala, Satish Bonam, Amit Agrawal, Siva Rama Krishna Vanjari, Shiv Govind Singh
Read original paper ↗ ·Machine learning-empowered study of metastable γ-CsPbI 3 under pressure and strain
Journal of Materials Chemistry A · 2024-01-01
Minkyung Han, Cheng Peng, Ruyi Song, Feng Ke, Youssef S. G. Nashed, Wendy L. Mao, Chunjing Jia, Yu Pin Lin
Read original paper ↗ ·Jahn‐Teller distortion, octahedra rotations and orbital ordering in perovskites: KScF 3 as a model system
Journal of Computational Chemistry · 2024-01-13
Fabien Pascale, Philippe D’Arco, Sébastien Lebègue∥, Roberto Dovesi
Read original paper ↗ ·Atomic level origin of the impact of octahedral tilting and tetragonal distortions on the functional properties of the room temperature multiferroic Bi6Ti3Fe1.5Mn0.5O18
ChemRxiv · 2024-02-19
Louise Colfer, Núria Bagués, Mohammad Noor‐A‐Alam, Michael Schmidt, Michael Nolan, David W. McComb, Lynette Keeney
Read original paper ↗ ·Nanocomposite NBT-MFO for eco-friendly power generation: Self sustainable hydroelectric cell
Ceramics International · 2024-02-28
Monika Dhall, Satish Khasa, Ashima Hooda, Jyoti Shah, Ravinder Kumar Kotnala
Read original paper ↗ ·Jahn-Teller effect with rigid octahedral rotations in perovskites
Physical review. B./Physical review. B · 2024-03-18
Rukhshanda Naheed, M. Ahsan Zeb, K. Sabeeh
Read original paper ↗ ·Confinement-Induced Isosymmetric Metal–Insulator Transition in Ultrathin Epitaxial V2O3 Films
ACS Applied Materials & Interfaces · 2024-04-29
Simon Mellaerts, Claudio Bellani, Wei-Fan Hsu, A. Binetti, Koen Schouteden, Maria Recaman-Payo, Mariela A. Menghini, Juan Rubio‐Zuazo, Jesús López‐Sánchez, Jin Won Seo, Michel Houssa, Jean‐Pierre Locquet
Read original paper ↗ ·t2gd orbital ordering patterns in KBF3 (B = Sc, Ti, Fe, Co) perovskites
Journal of Computational Chemistry · 2024-05-13
Fabien Pascale, Philippe D’Arco, Sami. Auteur du texte Mustapha, Roberto Dovesi
Read original paper ↗ ·Tilting and Distortion in the Multiferroic Aurivillius Phase Bi6Ti3Fe1.5Mn0.5O18
Chemistry of Materials · 2024-05-29
Louise Colfer, Núria Bagués, Mohammad Noor‐A‐Alam, Michael Schmidt, Michael Nolan, David W. McComb, Lynette Keeney
Read original paper ↗ ·Sustainable hydroelectric energy generation: Strain-induced oxygen-deficient nanocomposites NBT-ZFO
Ceramics International · 2025-05-11
Monika Dhall, Vishal Jakhar, Satish Khasa, Ashima Hooda, Jyoti Shah, Ravinder Kumar Kotnala
Read original paper ↗ ·Advancing green energy: Sustainable power generation via NBT-based sodium-substituted ferrite nanocomposites
Journal of Physics and Chemistry of Solids · 2025-07-07
Monika Dhall, Vishal Jakhar, Satish Khasa, Ashima Hooda, Jyoti Shah, Ravinder Kumar Kotnala
Read original paper ↗ ·Strain engineering and atomic defect interaction in BiFeO 3 via Fe implantation for enhanced polarization response
Journal of the American Ceramic Society · 2025-09-23
Yongshen Lu, Wen Zhang, Haolin Zhai, Jinyong Zhang, Lin Ren, Weimin Wang, Fan Zhang, Zhengyi Fu
Read original paper ↗ ·Heterocationic strategy to design a nonlinear optical crystal with a polar anti-perovskite structure
Nature Communications · 2025-12-12
Shuoxing Yang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu
Read original paper ↗ ·Impact of A-Site Doping on Structural, Electrical and Magnetic Analysis of Bi1.8Pr0.2FeCrO6 Double Perovskite
Journal of Materials Engineering and Performance · 2026-03-30
Mitrabinda Mahapatra, Dinesh Kumar Pati, Binaya Kumar Sahu, Pratap Kumar Sahoo, R. K. Parida, B.N. Parida, Rajib Padhee
Read original paper ↗ ·Effect of Heterohalide Composition on the Dopant–Exciton Exchange Interactions in Mn 2+ -Doped Cesium Lead Halide Perovskite Nanocrystals
Journal of the American Chemical Society · 2026-05-20
I-Hsuan Yeh, Lin Feng, Pavle V. Radovanovic
Read original paper ↗ ·Phonon contributions to oxygen defect formation entropy in perovskite and Ruddlesden-Popper oxides
Solid State Ionics · 2026-07-15
Daniele Vivona, Kiarash Gordiz, Sokseiha Muy, Randall J. Meyer, Sumathy Raman, Yang Shao‐Horn
Read original paper ↗ ·