Article
Physics, Condensed Matter
Yan Wang
Summary: The structure of La doped BiFeO3 at low doping content is not completely the believed hexagonal R3c phase, but contains an orthorhombic crystal symmetry. Under certain pressure conditions, a phase transition sequence from hexagonal R3c phase to monoclinic C2/m phase and then to orthorhombic Pnma phase was observed in La-doped BiFeO3.
SOLID STATE COMMUNICATIONS
(2022)
Article
Materials Science, Ceramics
Andre Maia, Christelle Kadlec, Maxim Savinov, Rui Vilarinho, Joaquim Agostinho Moreira, Viktor Bovtun, Martin Kempa, Martin Misek, Jiri Kastil, Andriy Prokhorov, Jan Manak, Alexei A. Belik, Stanislav Kamba
Summary: Type-II multiferroics show large magnetoelectric coupling and are promising for new device functionalities. We report a new multiferroic material, BiMn3Cr4O12, where an antiferromagnetic phase is induced by the structural change at the ferroelectric phase transition. Thermodynamic, dielectric, and pyroelectric studies reveal that the ferroelectric critical temperature corresponds to the Ne'el temperature of the Cr3+ spins, and an increase in ferroelectric polarization is observed below the Ne'el temperature of the Mn3+ spins.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Shuang Zhao, Jin-Jin Yang, Yi-Feng Han, Mei-Xia Wu, Mark Croft, Peter W. Stephens, David Walker, Martha Greenblatt, Man-Rong Li
Summary: Polar and magnetic Mn2MnMoO6 material with Ni3TeO6-type structure was synthesized under high pressure and temperature, and its physical properties were investigated. The material exhibits a large spontaneous polarization, multiple magnetic transition points, and strong magnetic frustration factor. The independence of magnetism and dielectric responses is attributed to the high polarization reversal barrier and grain boundary effects.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Tahir Ahmad, Kajal Jindal, Monika Tomar, Pradip K. Jha, Vinay Gupta
Summary: This study investigates the influence of incorporating Cr into multiferroic BiFeO3 using first principle calculations, finding that Cr prefers to occupy the Fe site. Oxygen and bismuth vacancies play significant roles in conduction mechanisms in BFO, and the migration energetics for vacancies are studied in both pure and doped BFO, with discussion on changes in migration barriers upon Cr substitution.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Shalini Kumari, Dhiren K. Pradhan, Shi Liu, M. M. Rahaman, Peng Zhou, Kevin M. Roccapriore, Dillip K. Pradhan, Gopalan Srinivasan, Qi Li, Ram S. Katiyar, Philip D. Rack, J. F. Scott, Ashok Kumar
Summary: The study focuses on the investigation of multiferroic and ME properties of Ni-doped PZT materials, showing strong ME coupling. Although X-ray diffraction indicates a single-phase material, transmission electron microscopy reveals regions with and without Ni, suggesting the possibility of magnetoelectric coupling between two phases.
Article
Chemistry, Physical
Philippe F. F. Weck, Carlos F. F. Jove-Colon, Eunja Kim
Summary: Polymorphism and phase transitions in sodium diuranate (Na2U2O7) are investigated using density functional perturbation theory (DFPT). The thermal properties of different polymorphs of Na2U2O7 are predicted for the first time, and the energetically degenerate behavior of the alpha and beta phases is observed. Gibbs free energy calculations reveal that there is no direct solid-solid phase transition between the beta and gamma phases at high temperatures, suggesting a multi-step process involving beta-phase decomposition and recrystallization into the gamma phase. These findings are consistent with experimental observations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
I Boventer, H. T. Simensen, A. Anane, M. Klaui, A. Brataas, R. Lebrun
Summary: The study demonstrates that spin pumping signals induced by the resonance of canted antiferromagnets with Dzyaloshinskii-Moriya interaction can generate easily observable inverse spin-Hall voltages. Using a bilayer of hematite/heavy metal as a model system, the research shows that antiferromagnetic resonance and associated inverse spin-Hall voltages can be measured at room temperature. Direct information about the mode handedness can be obtained by comparing different materials.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Ceramics
N. D. Long, P. T. Tho, N. D. Co, L. T. Ha, N. T. M. Hong, C. T. A. Xuan, C. V. Ha, V. N. Shut, V. I. Mitsiuk, M. V. Bushinsky, M. V. Silibin, D. V. Karpinsky
Summary: Bi1-xEuxFeO3 ceramic samples with x = 0.1-0.2 were synthesized to investigate the correlation between multiphase coexistence and magnetic response. X-ray diffraction and Raman scattering spectra revealed structural transitions and a mixed phase state in the composition range of 0.10 <= x <= 0.18. Magnetic measurements showed weak ferromagnetic behavior, with maximum magnetization in phase mixture compounds and a decrease in single phase compounds. The different magnetic responses were explained in terms of phase boundary spins and intrinsic antiferromagnetic spins.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Jiuye Zhao, Jiazhi Huang, Chunyang Yu, Chunyi Cui, Jun Chang
Summary: Density functional theory (DFT) simulation was used to investigate the effect of P doping on ye'elimite and its substitution preference. The results showed that increasing P doping affected the crystal structure of ye'elimite and revealed a preference for substituting S atoms.
Article
Materials Science, Multidisciplinary
D. Karpinsky, M. Silibin, D. Zhaludkevich, S. Latushka, A. Sysa, V. V. Sikolenko, A. L. Zhaludkevich, V. A. Khomchenko, A. Franz, K. Mazeika, D. Baltrunas, A. Kareiva
Summary: The correlation between crystal structure and magnetic properties is studied in the (1-x)BiFeO3 - (x)BaTiO3 system across the morphotropic phase boundary. As dopant content increases, there is a structural transition from rhombohedral to cubic phase, leading to changes in magnetic structure. The presence of non-zero remanent magnetization is determined by oxygen octahedra tilting rather than structural distortion.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Jian Zhuang, Zhuohua Tang, Jinming Lu, Alexei A. Bokov, Nan Zhang, Stanislav P. Kubrin, Igor P. Raevski, Zeng Luo, Qin Lian, Shuming Yang, Wei Ren, Zuo-Guang Ye
Summary: A simple modified mixed-oxide reaction method was developed to prepare Dy- and Sm-modified BFPT ceramics with significantly improved properties, showing well-saturated ferroelectric hysteresis loops and enhanced piezoelectric properties suitable for high-temperature applications. The enhanced dielectric/piezoelectric properties were mainly attributed to intrinsic mechanisms of polarization rotation/extension, with minimal extrinsic contributions from interphase and domain walls.
ADVANCED ELECTRONIC MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
J. Kaczkowski, M. Pugaczowa-Michalska, I. Plowas-Korus
Summary: In this study, the formation mechanism of B-site cation ordering in double perovskite compounds was investigated using density functional theory. It was found that the ionic radius may play a major role in the non-magnetic Bi-based double perovskites, while the interactions between Fe cations may stabilize the ordering in the magnetic Bi2MFeO6.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Materials Science, Ceramics
Manoj Kumar, Sunil Chauhan, Himanshu Pandey
Summary: This work focuses on the synthesis and characterization of Gd3+-substituted BiFeO3 nanoparticles. The results show that the substitution of Gd3+ ions leads to structural changes in the nanoparticles, as confirmed by X-ray diffraction and Raman spectroscopy. Core-level X-ray photoelectron spectroscopy further reveals the dominance of Fe3+ oxidation state and the presence of oxygen vacancies. Moreover, the magnetic properties of the nanoparticles are enhanced with an increase in Gd3+ concentration, with a maximum ferromagnetic contribution observed at x = 0.12.
JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
P. T. Tho, C. V. Ha, N. Tran, V. T. K. Lien, P. T. Phong, N. V. Dang, C. T. A. Xuan, N. T. M. Hong, L. T. Ha, N. M. Hung, N. Khien
Summary: Polycrystalline ceramics of Bi0.83La0.17Fe1-xCrxO3 (BLFCO) were synthesized using the solid-state reaction method to investigate the coexistence of different structural phases and complex magnetic response. X-ray diffraction and Rietveld refinement confirmed the coexistence of R3c rhombohedral and Pbam orthorhombic structures. Selected-area Raman scattering spectra further confirmed the mixed phase state. An unusual revival of the R3c phase was observed with increasing chromium concentration. The compound exhibited intriguing weak magnetic response and unique phenomena, such as magnetic aging and field step-dependent hysteresis loop. The electric-field-controlled magnetism displayed complex behavior due to the interplay between phase boundary ferromagnetism and structural phase transition.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Morad Ebrahimkhas, Mohsen Hafez-Torbati, Walter Hofstetter
Summary: This study investigates the influence of lattice symmetry on the emergence of antiferromagnetic quantum Hall states in systems with nontrivial topological bands. By extending the spinful Harper-Hofstadter model with next-nearest-neighbor hopping, a quantum Hall insulator with Chern number C = 2 is realized. The phase diagram shows the presence of a C = 1 stripe antiferromagnetic quantum Hall insulator for large next-nearest-neighbor hopping, but no equivalent Ned antiferromagnetic quantum Hall insulator for small next-nearest-neighbor hopping. It is discussed that a C = 1 antiferromagnetic quantum Hall insulator can only emerge when the effect of the spin-flip transformation cannot be compensated by a space-group operation.
Article
Chemistry, Physical
Hong-Jian Feng, Wan Deng, Kang Yang, Jinsong Huang, Xiao Cheng Zeng
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Physics, Applied
Chong-Xin Qian, Zun-Yi Deng, Kang Yang, Jiangshan Feng, Ming-Zi Wang, Zhou Yang, Shengzhong (Frank) Liu, Hong-Jian Feng
APPLIED PHYSICS LETTERS
(2018)
Article
Chemistry, Physical
Yong-Hua Cao, Zun-Yi Deng, Ming-Zi Wang, Jin-Tao Bai, Su-Huai Wei, Hong-Jian Feng
JOURNAL OF PHYSICAL CHEMISTRY C
(2018)
Article
Chemistry, Multidisciplinary
Yong-Hua Cao, Yong-Feng Li, Jia-Wei He, Chong-Xin Qian, Qiang Zhang, Jin-Tao Bai, Hong-Jian Feng
ADVANCED MATERIALS INTERFACES
(2019)
Article
Physics, Applied
Hong-Jian Feng, Qiang Zhang
Summary: Researchers have explored potential lead-free stable PV materials, including Ba3PI3, Ba3AsI3, and Ba3SbI3, with efficiency comparable to that of halide perovskites. The best PV candidate, Ba3SbI3, has been further enhanced through low energy Cu ion implantation, confirming the accuracy of density functional theory results.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Shikai Chen, Duanyang Wang, Qiang Zhang, Ming-Zi Wang, Hong-Jian Feng
Summary: This article presents evidence of domain wall (DW) conduction in 90℃ BaZr0.1Ti0.9O3 (BZT) through density functional theory (DFT) calculations, confirming the existence of DWs and electrical conductivity in BZT films. Furthermore, the design of BZT-based photovoltaic devices with polarization tunability and Zr ion-implanted BaTiO3 for high-efficiency perovskite solar cells are discussed, highlighting the potential for improved photovoltaic devices tuned by ferroelectric polarization.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Physics, Applied
Zun-Yi Deng, Zhihua Hu, Hong-Jian Feng
Summary: This study utilizes real-time time-dependent density functional theory to investigate the physical and chemical properties of mutant DNA under ion beam radiation. The results show that the mutation of base pair leads to changes in local chemical environment, trajectory charge density, energy deposition, and secondary electron evolution, which ultimately result in cell death.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Applied
Hong-Jian Feng, Ping Ma
Summary: A combination of machine learning and density functional theory is used to predict potential photovoltaics from 2D perovskites, leading to the discovery of high-efficiency and stable materials. The study also explores the use of ion implantation to improve photovoltaic performance, showing promise for further engineering improvements in solar cell technology.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Chong-Xin Qian, Ming-Zi Wang, Shan-Shan Lu, Hong-Jian Feng
Summary: In this study, large-sized two-dimensional perovskite crystals and corresponding x-ray detectors were successfully fabricated. Copper ion implantation significantly improved the sensitivity, mobility-lifetime product, and detectable dose rate of the detectors. Experimental observations and DFT calculations showed that the enhancement in x-ray detection was due to the increased photoinduced charge carrier density and mobility-lifetime product, as well as the decreased exciton binding energy and enhanced carrier dissociation capability caused by copper ion implantation.
APPLIED PHYSICS LETTERS
(2022)
Article
Physics, Multidisciplinary
Ming-Zi Wang, Min Lian, Pinwen Zhu, Hong-Jian Feng
Summary: In this study, we successfully synthesized a ferroelectric material MnSnO3 with high electron mobility using high pressure technology. The electronic properties of MnSnO3 were further improved by ion implantation of Cu and Ag.
Article
Physics, Condensed Matter
Zun-Yi Deng, Hong-Jian Feng
Summary: Ultrafast carrier dynamics of SnSe/TiO2 and SnSe/Li/TiO2 heterojunctions under Li+ implantation were investigated using real-time time-dependent density functional theory. Atomic reconstruction induced by the Li inserting layer weakened the violent oscillation force and electron excitation on Ti and O atoms. SnSe/Li/TiO2 implantation system showed weaker and shorter charge excitation at the interface, reducing the probability of carrier recombination.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Multidisciplinary
Hong-Jian Feng, Kan Wu, Zun-Yi Deng
CELL REPORTS PHYSICAL SCIENCE
(2020)
Article
Chemistry, Multidisciplinary
Chong-Xin Qian, Hong-Jian Feng, Qiang Zhang, Jiawei He, Zi-Xuan Chen, Ming-Zi Wang, Xiao Cheng Zeng
CELL REPORTS PHYSICAL SCIENCE
(2020)
Article
Physics, Applied
Kang Yang, Zun-Yi Deng, Hong-Jian Feng
APPLIED PHYSICS LETTERS
(2017)
Article
Physics, Applied
Huotian Zhang, Yiting Liu, Haizhou Lu, Wan Deng, Kang Yang, Zunyi Deng, Xingmin Zhang, Sijian Yuan, Jiao Wang, Jiaxin Niu, Xiaolei Zhang, Qingyuan Jin, Hongjian Feng, Yiqiang Zhan, Lirong Zheng
APPLIED PHYSICS LETTERS
(2017)
