Article
Multidisciplinary Sciences
Adriana Ladera, Ravi Kashikar, S. Lisenkov, I. Ponomareva
Summary: Machine learning has shown its potential in various areas of condensed matter physics and materials science. In this study, an unsupervised machine learning workflow is developed within a first-principles-based atomistic simulation framework to investigate phases and phase transitions in ferroelectric relaxors. The workflow is applied to Ba(Ti1-x,Zr-x)O-3 compounds, revealing the presence of BaTiO3 phases beyond the point of the pinched phase transition, peculiar phases with delocalized precursors of nanodomains, and nanodomain phases for the highest concentrations of x.
ADVANCED THEORY AND SIMULATIONS
(2023)
Article
Chemistry, Multidisciplinary
Hao-Fei Ni, Lou-Kai Ye, Peng-Cheng Zhuge, Bo-Lan Hu, Jia-Rui Lou, Chang-Yuan Su, Zhi-Xu Zhang, Li-Yan Xie, Da-Wei Fu, Yi Zhang
Summary: This study reports a new nickel-based organic-inorganic halide perovskite ferroelectric with high spontaneous polarization and Curie temperature. The unique structure contributes to the diversity of organic-inorganic halide perovskite structures and will further promote research on nickel-based organic-inorganic halide perovskite ferroelectrics.
Article
Materials Science, Multidisciplinary
Hui Li, Jingxia Gao, Mingyang Li, Qingfeng Zhang, Yangyang Zhang
Summary: This study successfully achieved a balance between high strain and low hysteresis in BNST24 ceramics by adjusting the doping concentration, developing and enhancing the boundary between nonergodic and ergodic phases at ambient temperature to improve the electrostrictive effect. Ultimately, an enhanced strain and low hysteresis were simultaneously achieved in the BNST24-0.02CN relaxors.
Article
Physics, Applied
Hao-Cheng Thong, Ben Xu, Ke Wang
Summary: This study investigates different types of domain walls in niobate-based ferroelectric perovskite KNbO3 using first-principles calculations, and finds that Nb-O hybridization plays a critical role in the formation and motion of domain walls.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Applied
Kaiyuan Chen, Amaia Zarandona Rodriguez, Senentxu Lanceros-Mendez, Xiuyun Lei, Liang Fang, Hongfang Zhang, Shuyu Gao, Laijun Liu, Qi Zhang
Summary: 0.6Bi(Mg1/2Ti1/2)O-3-0.4Ba(0.8)Ca(0.2)(Nb0.125Ti0.875)O-3 ceramics with pseudo-cubic structure and re-entrant dipole glass behavior were studied. They exhibited excellent dielectric-temperature stability, with small variations of dielectric permittivity and loss tangent in a wide temperature range. Three dielectric anomalies were observed, and the low-temperature behavior was described using the Vogel-Fulcher law and new glass model. The results provide insights into the defects behavior and modification of re-entrant relaxor behavior.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Nicholas Cucciniello, Alessandro R. Mazza, Pinku Roy, Sundar Kunwar, Di Zhang, Henry Y. Feng, Katrina Arsky, Aiping Chen, Quanxi Jia
Summary: With the anticipated doubling of energy demand in the next three decades, there is a pressing need to advance the technology of energy harvesting and storage for renewable energy. This study focuses on a specific subset of dielectric materials, ferroelectrics, for energy storage. By exploring the influence of crystallographic orientation on the microstructure and properties, the research offers insights into enhancing energy storage performance.
Review
Chemistry, Inorganic & Nuclear
Alexei A. Belik, Roger D. Johnson, Dmitry D. Khalyavin
Summary: Perovskite-structure AMnO(3) manganites have contributed to the development of various physical concepts, while A-site-ordered quadruple perovskite manganites AMn(7)O(12) exhibit rich physics beyond the canonical materials. Recent progress in understanding them has been achieved with the wider use of high-pressure synthesis techniques.
DALTON TRANSACTIONS
(2021)
Article
Materials Science, Multidisciplinary
Jiaqi Wang, Yu Ma, Zujian Wang, Xitao Liu, Shiguo Han, Yi Liu, Wuqian Guo, Junhua Luo, Zhihua Sun
Summary: In this study, we achieved control and tuning of birefringence in a 2D hybrid perovskite ferroelectric material by manipulating its structure and ferroelectric properties. The birefringence of the material can be reversibly switched through symmetry breaking and modulation of ferroelectricity. This research opens up new possibilities for modulating the nonlinear optical properties of smart devices.
Article
Chemistry, Multidisciplinary
Madeleine Geers, Jie Yie Lee, Sanliang Ling, Oscar Fabelo, Laura Canadillas-Delgado, Matthew J. J. Cliffe
Summary: AMX(3) compounds exhibit diverse structures, including the two-dimensional post-perovskite structure with corner- and edge-sharing octahedra. Molecular post-perovskites are rare and none have reported magnetic structures. Here, we report the synthesis, structure, and magnetic properties of CsNi(NCS)(3), CsCo(NCS)(3), and CsMn(NCS)(3), which are molecular post-perovskites. Magnetisation measurements reveal that all three compounds exhibit magnetic ordering, with CsNi(NCS)(3) and CsCo(NCS)(3) showing weak ferromagnetic ordering and CsMn(NCS)(3) exhibiting antiferromagnetic ordering. Neutron diffraction data confirm non-collinear magnetic structures in CsNi(NCS)(3) and CsMn(NCS)(3). These results highlight the potential of molecular frameworks for realizing spin textures required for the next generation of information technology.
Article
Multidisciplinary Sciences
Zhenyue Wu, Shunning Li, Yasmin Mohamed Yousry, Walter P. D. Wong, Xinyun Wang, Teng Ma, Zhefeng Chen, Yan Shao, Weng Heng Liew, Kui Yao, Feng Pan, Kian Ping Loh
Summary: Researchers synthesized a two-dimensional organic-inorganic hybrid material with ferroelectric properties and achieved tunable ferroic orders through intercalation chemistry, providing new possibilities for engineering the ferroic and elastic properties of materials.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Coatings & Films
Jingjing Liu, Sa Zhang, Ming Jiang, Haiyan Xiao, Shan Feng, Liang Qiao
Summary: This study demonstrates an anion engineering approach to reduce the bandgap of barium titanate by replacing oxygen atoms with sulfur atoms. The resulting materials, BaTiOS2 and BaTiS3, showed significantly lower bandgaps and improved optical absorption compared to BaTiO3, making them promising candidates for photovoltaic applications.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2022)
Article
Materials Science, Multidisciplinary
Magdalena Rok, Bartosz Zarychta, Joanna Trojan-Piegza, Andrzej Bil, Anna Piecha-Bisiorek, Jan K. Zareba, Wojciech Medycki, Ryszard Jakubas
Summary: Organic-inorganic perovskite hybrids (OIPHs) have gained significant interest due to their facile synthesis, flexibility, and tunability. This study reports the synthesis and characterization of a novel ABX(3)-type ferroelectric crystal AZECdCl(3) with enhanced electric permittivity and excellent ferroelectric properties. The crystal also exhibits ferroelastic properties and high contrast second-harmonic generation (SHG) switching in the IV <-> III phase transition.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Physical
Jan Ocenasek, Jan Minar, Jorge Alcala
Summary: The relationship between classic ferroelectricity and the structure of perovskite materials is dependent on the concept of lattice disorder. Lattice disorder dynamically unfolds to generate distorted rhombohedral lattices characterized by the hopping of central cations. This lattice disorder correlates with minimum configuration energy pathways for the central cations and leads to spatially modulated ultrafast polarization nanocluster arrangements.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Hui Liu, Zheng Sun, Ling Li, Baotao Gao, Yueyun Zhang, He Qi, Kenichi Kato, Krystian Roleder, Yang Ren, Jun Chen
Summary: Externally stimulated AFE-FE transition is attractive for various applications. In this study, the local and long-range structural evolutions in Nb-doped Pb(Zr,Sn,Ti)O3 perovskites were investigated using in-situ X-ray techniques. Three types of AFE-FE transitions were observed, and the reversibility of the transition was found to be correlated with chemically sensitive local atomic displacements. The critical electric field of the transition was associated with the local structural differences between the AFE and FE states.
Article
Physics, Applied
Xiaodong Yao, Qunfei Zheng, Jun Han, Yunxia Han, Beihong Li, Weibin Song, Yinglin Li, Shanmin Wang, Xiaomei Qin, Ying Liu, Jinlong Zhu
Summary: Relaxor ferroelectric crystal PMN-xPT, known for its extraordinary properties, was studied under high pressure. A structural phase transition was observed at about 8 GPa, along with the suppression of ferroelectricity above 5 GPa.
APPLIED PHYSICS LETTERS
(2022)
