Article
Chemistry, Multidisciplinary
Elena Solana-Madruga, Olivier Mentre, Alexander A. Tsirlin, Marielle Huve, Dmitry Khalyavin, Clemens Ritter, Angel Moises Arevalo-Lopez
Summary: Materials properties are determined by compositions and structures, leading to different structures and physical properties. CoVO3 polymorphs exhibit distinct magnetic properties and structural features, offering a unique opportunity to explore the relationship between structure and properties.
Article
Multidisciplinary Sciences
Lun Jin, Nicodemos Varnava, Danrui Ni, Xin Gui, Xianghan Xu, Yuanfeng Xu, B. Andrei Bernevig, Robert J. Cava
Summary: Electronic structure calculations show that Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level, which includes contributions from ordinary subbands with weak kinetic electron hopping and a flat subband attributed to lattice geometry and orbital interference. Electron-doped Sr2-xLaxFeSbO6 samples (0 ≤ x ≤ 0.3) were synthesized to place the Fermi energy in that flat band, and their magnetism and crystal structures were analyzed. The dominant spin coupling changes from antiferromagnetic to ferromagnetic upon electron doping, but it remains unclear which subband or combination is responsible for this behavior.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Materials Science, Multidisciplinary
Ping-Luen Ho, Zhihao Huang, Lei Jin, Si-Young Choi, Rafal E. Dunin-Borkowski, Joachim Mayer, Shik Chi Edman Tsang, Xiaoyan Zhong
Summary: Aberration-corrected analytical transmission electron microscopy (TEM) is used to determine the atomic-scale cation order in a nanosized Sr3Fe2ReO9 phase, revealing tripled-layered repeats of Fe and Re cations along [111](pc) and an ordering vector of 1/3[111]*. Density functional theory calculations based on a relaxed theoretical model consistent with the experimental images determine the magnetic ground states and exchange parameters of the newly discovered Sr3Fe2ReO9 phase, where nearest-neighbour Fe and Re cations are coupled antiferromagnetically.
MICROSCOPY AND MICROANALYSIS
(2023)
Article
Chemistry, Physical
Nathaniel. P. Gallop, Dmitry R. Maslennikov, Navendu Mondal, Katelyn P. Goetz, Zhenbang Dai, Aaron M. Schankler, Woongmo Sung, Satoshi Nihonyanagi, Tahei Tahara, Maryna I. Bodnarchuk, Maksym V. Kovalenko, Yana Vaynzof, Andrew M. Rappe, Artem A. Bakulin
Summary: Vibrational control through optical stimulation of structural dynamics can effectively reduce non-radiative recombination and voltage losses in perovskite solar cells.
Article
Chemistry, Multidisciplinary
Liting Yang, Xuhui Xiong, Guisheng Liang, Xiao Li, Chao Wang, Wenbin You, Xuebing Zhao, Xianhu Liu, Renchao Che
Summary: The cation-deficient perovskite CeNb3O9 (CNO) is able to store a sufficient amount of lithium at a high charge/discharge rate, showing exceptional cycling stability at high rates due to the formation of atomic short-range order, which prevents structural rearrangements.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Zhaoting Zhang, Hong Yan, Zhen Huang, Xiao Chi, Changjian Li, Zhi Shiuh Lim, Shengwei Zeng, Kun Han, Ganesh Ji Omar, Kexin Jin, Ariando Ariando
Summary: The magnetic properties of epitaxial double-perovskite Sr2FeReO6 films can be tuned by adjusting the deposition pressure of oxygen and lattice mismatch. Epitaxial strain modulates B-site ordering by affecting elemental valence, leading to changes in magnetic behavior.
Article
Materials Science, Multidisciplinary
Xiaofan Shen, Qunyong Luo, Zongshuo Wu, Ying Zhou, Jianli Wang, Junting Zhang, Jie Su, Xiaomei Lu
Summary: The universality of 2D multiferroics in the Ca-based double-perovskite bilayer system has been demonstrated, showing that the breaking of inversion symmetry correlation between initial and final polarization states is crucial for achieving the transition of magnetization. Only the switching of tilt distortion can cause a change in the direction of magnetization, making multistep switching of tilt distortion via ferroelectric switching the lowest energy barrier pathway for controlling magnetization by an electric field.
Article
Chemistry, Multidisciplinary
Tianhao Wu, Luis K. Ono, Rengo Yoshioka, Chenfeng Ding, Congyang Zhang, Silvia Mariotti, Jiahao Zhang, Kirill Mitrofanov, Xiao Liu, Hiroshi Segawa, Ryota Kabe, Liyuan Han, Yabing Qi
Summary: Nickel oxide (NiOx) is a promising hole-selective contact for efficient perovskite solar cells (PSCs), but its long-term operational lifetime is limited by light-induced degradation. This study clarifies the degradation mechanism and proposes a solution by constructing a TMSBr buffer layer, resulting in significantly improved operational lifetimes for NiOx-based PSCs.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Jan Albert Zienkiewicz, Edyta Kucharska, Maciej Ptak
Summary: [DMHy]Mn(HCOO)(3) is an organic-inorganic hybrid compound with a perovskite-like structure, undergoing an unusual phase transition at 240K driven by the ordering of DMHy(+) cations and steric deformation caused by tight confinement of organic cations. The study combined experimental and computational methods to elucidate the structural changes, showing that the phase transition is highly dynamic and involves rearrangement of hydrogen bonds and cation ordering.
Article
Chemistry, Physical
Zhi Li, Philip W. Nega, Mansoor Ani Najeeb Nellikkal, Chaochao Dun, Matthias Zeller, Jeffrey J. Urban, Wissam A. Saidi, Joshua Schrier, Alexander J. Norquist, Emory M. Chan
Summary: In this study, a data-driven approach combining active learning and high-throughput experimentation was used to discover and control the formation of phases with different dimensionalities in the morpholinium lead iodide system. The obtained machine learning model provided insights into the reaction parameters that significantly affect dimensionality control.
CHEMISTRY OF MATERIALS
(2022)
Article
Multidisciplinary Sciences
Qisi Wang, Karin von Arx, Masafumi Horio, Deepak John Mukkattukavil, Julia Kuspert, Yasmine Sassa, Thorsten Schmitt, Abhishek Nag, Sunseng Pyon, Tomohiro Takayama, Hidenori Takagi, Mirian Garcia-Fernandez, Ke-Jin Zhou, Johan Chang
Summary: Charge order is universal in all hole-doped cuprates, with electron-electron interactions believed to be essential and electron-phonon interactions playing a significant role as well, especially around the charge ordering wave vector. The study reveals phonon softening and lifetime shortening near the charge ordering wave vector and an enhancement of electron-phonon coupling upon cooling into the low-temperature tetragonal phase, suggesting that electron-phonon coupling substantially contributes to the emergence of long-range charge-stripe order in cuprates along with electronic correlations.
Article
Multidisciplinary Sciences
Youngjae Hong, Pilgyu Byeon, Jumi Bak, Yoon Heo, Hye-Sung Kim, Hyung Bin Bae, Sung-Yoon Chung
Summary: The authors have identified an electrostatic origin for the Jahn-Teller-type tetragonal distortion of oxygen octahedra in perovskite-type materials, demonstrating that local uneven electrostatics significantly affect the crystal structure of complex oxides. This study also reveals the detailed structures of more than 80 oxides and halides to elucidate the mechanism behind the tetragonal distortion.
NATURE COMMUNICATIONS
(2021)
Article
Nanoscience & Nanotechnology
Zhuoliang Ni, A. V. Haglund, H. Wang, B. Xu, C. Bernhard, D. G. Mandrus, X. Qian, E. J. Mele, C. L. Kane, Liang Wu
Summary: Antiferromagnets are interesting materials for spintronics applications due to their fast dynamics and robustness against magnetic field perturbations. This study demonstrates that uniaxial strain can align the Neel vector in MnPSe3 down to the monolayer limit, showing evidence of long-range antiferromagnetic order and Ising-type Neel vector switching. The emergence of strain-controlled Ising order in the XY magnet MnPSe3 opens up new possibilities for compact antiferromagnetic spintronic devices in the two-dimensional limit.
NATURE NANOTECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Rachel Nickel, Josh Gibbs, Jacob Burgess, Padraic Shafer, Debora Motta Meira, Chengjun Sun, Johan van Lierop
Summary: Multiferroics have the potential to revolutionize logic and memory devices, and to fully exploit their capabilities, a better understanding of the ferroic orders and couplings is needed. In this study, the researchers use e-Fe2O3 as a model system and investigate the effects of size and modified Fe-O hybridization on the multiferroic properties. They find that the spin-orbit coupling is changed and strengthened by a size-dependent Fe-O hybridization, and that manipulation of this hybridization allows for tuning and control of the multiferroic properties.
Article
Multidisciplinary Sciences
Hayato Yatsuzuka, Yuya Haraguchi, Akira Matsuo, Koichi Kindo, Hiroko Aruga Katori
Summary: New Ru4+ double perovskite oxides have been successfully synthesized, showing unexpected magnetic properties and the potential presence of isolated spins.
SCIENTIFIC REPORTS
(2022)
Article
Physics, Applied
Yosuke Isoda, Daisuke Kan, Takuya Majima, Yuichi Shimakawa
Summary: We investigated the electrochemical responses of (100), (110), and (111)-oriented oxygen-deficient perovskite SrFeO2.5+y epitaxial films. Only the (100)-oriented films exhibited changes associated with gate-voltage-induced electrochemical reductions. The electrochemically reduced (100) films were found to accommodate protons, forming the proton-containing oxide H0.11SrFeO2.5+y. Our results suggest that oxygen vacancies preferentially form along the {100} axes and ion diffusion in electrochemical reactions predominantly occurs along the {100} directions in SrFeO2.5+y.
APPLIED PHYSICS EXPRESS
(2023)
Article
Chemistry, Physical
Yanjia Zhang, Miho Sawamura, Maho Harada, Yusuke Noda, Masanobu Nakayama, Masato Goto, Daisuke Kan, Yuichi Shimakawa, Benoit Denis Louis Campeon, Daisuke Shibata, Toshiaki Ohta, Naoaki Yabuuchi
Summary: This study investigates the Li3NbO4-CoO binary system and finds that although Li4/3Co2/9Nb4/9O2 exhibits a reversible capacity increase as electrode material, there are irreversible structural changes in its electrochemical cycles, leading to the instability of anionic redox.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Taro Kamada, Taisei Ueda, Shuta Fukuura, Takashi Yumura, Saburo Hosokawa, Tsunehiro Tanaka, Daisuke Kan, Yuichi Shimakawa
Summary: In this study, catalytic model systems based on Pd-loaded SrFeOx films were fabricated to investigate the phenomenon of hydrogen spillover. The results showed that hydrogen spillover on the SrFeOx support can extend over long distances, up to 600 μm. The reduction of Fe4+ on the support surface induced by hydrogen spillover yields large energies, driving the unexpectedly long-distance hydrogen diffusion. These findings provide a deeper understanding of hydrogen spillover and offer insights for designing catalyst systems with enhanced properties.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Yuichi Shimakawa, Yoshihisa Kosugi
Summary: The caloric effects of solids are important for efficient and environmentally friendly energy systems. Exploring novel caloric materials is challenging but crucial for future technologies. This article highlights two transition-metal oxides that show giant caloric effects: NdCu3Fe4O12 and BiCu3Cr4O12. These compounds exhibit unusual high valence states of transition-metal ions and charge transitions to relieve electronic instabilities, resulting in large caloric responses. The details and mechanism of these giant caloric effects are summarized and discussed.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Kei Okamoto, Fumitaka Takeiri, Yumiko Imai, Masao Yonemura, Takashi Saito, Kazutaka Ikeda, Toshiya Otomo, Takashi Kamiyama, Genki Kobayashi
Summary: In this study, a Ba-Li-Na-H-O oxyhydride system was synthesized by partially substituting sodium for lithium in BLHO, leading to a significant improvement in conductivity. Our experimental results demonstrate that substituting at least 40% of lithium with sodium can enhance the conductivity of the oxyhydride system.
Article
Chemistry, Multidisciplinary
Makoto Iihoshi, Masato Goto, Yoshihisa Kosugi, Yuichi Shimakawa
Summary: The A-site layer-ordered double perovskite SmBaFe2O6 is synthesized by oxidizing A-site layer-ordered SmBaFe2O5 in ozone at a low temperature. This compound contains high and mixed valence Fe3.5+ and exhibits cascade charge transitions, represented as SmBa(Fe3+1.5Fe5+0.5)O6, to alleviate its electronic instability. The first Verwey-like charge-order transition occurs at 340 K, accompanied by significant structural changes and a sudden increase in magnetic susceptibility. Subsequently, a charge disproportionation of metastable Fe4+ to Fe3+ and Fe5+ takes place, resulting in an antiferromagnetic ground state. Plausible charge-ordered patterns are proposed based on electrostatic lattice energy calculations.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Sz-Chian Liou, Guo-Jiun Shu, Vladimir P. Oleshko, Hwanhui Yun, Xiang -Lin Huang, Hsin-An Chen, Wei -Tin Chen
Summary: Monoclinic hafnia (m-HfO2) is studied to investigate its electronic excitations using electron energy-loss spectroscopy (EELS) and first-principles calculations. Experimental results confirmed the phase purity and crystallinity of m-HfO2. Surface plasmons, volume plasmons, and surface exciton polaritons were observed, and their characteristics were confirmed by EFTEM-SI and energy versus momentum (E-k) maps. The anisotropic shape of volume plasmons was not observed, and a semicore Hf 5p plasmon involving multiplet resonant processes was identified at 48 eV energy loss. All these excitations displayed parabolic dispersion behavior with an energy shift of 1-3 eV.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Hideki Narita, Jun Ishizuka, Daisuke Kan, Yuichi Shimakawa, Youichi Yanase, Teruo Ono
Summary: The superconducting diode effect (SDE) has great potential for developing ultralow power consumption circuits and non-volatile memory. However, controlling the SDE requires precise tuning of current, temperature, magnetic field, or magnetism. This study demonstrates a zero-field SDE with an efficiency of up to 40% in Fe/Pt-inserted non-centrosymmetric Nb/V/Ta superconducting artificial superlattices. The polarity and magnitude of the zero-field SDE are controllable by magnetization direction, indicating the influence of the effective exchange field on Cooper pairs.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Kento Iwai, Yoshiyuki Mizuhata, Tomoya Nakamura, Masato Goto, Atsushi Wakamiya, Yuichi Shimakawa, Norihiro Tokitoh
Summary: Zwitterionic triarylmethylium dyes 1 and 2 with varied molecular assembly and charge transfer transition were synthesized using a tetraarylborate unit. These dyes exhibited solvatochromism and mechanochromism, allowing the color of the solid state to change upon dissolution & evaporation or grinding. Different crystal forms obtained from different recrystallization conditions independently reproduced the three colors, which were correlated with solid-state structures as demonstrated by diffuse reflectance measurement and powder X-ray diffraction. The unique color change of these dyes is suggested to originate from alterations in intermolecular interactions.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
I-Ching Lin, Mitsutaka Haruta, Takashi Nemoto, Masato Goto, Yuichi Shimakawa, Hiroki Kurata
Summary: This study presents an alternative method to extract the anisotropic atomic vibration factors for oxygen in SrTiO3 by measuring the electron energy-loss spectrum. The results show good agreement with previous experiments and theoretical values, providing important insights into the thermal properties of functional materials.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Yoshiki Izumi, Fumitaka Takeiri, Kei Okamoto, Takashi Saito, Takashi Kamiyama, Akihide Kuwabara, Genki Kobayashi
Summary: Hydride ion conductors, especially the fluorite-type LaH3-delta series, have shown high conductivity around room temperature. However, their non-stoichiometric nature poses challenges for their use as solid electrolytes. In this study, Sr-substituted LaH3-delta with slight O2- incorporation was synthesized, demonstrating H- conductivity at room temperature. This achievement is a significant milestone in the development of electrochemical devices that utilize its strong reducing ability.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Nur Ika Puji Ayu, Fumitaka Takeiri, Takafumi Ogawa, Akihide Kuwabara, Masato Hagihala, Takashi Saito, Takashi Kamiyama, Genki Kobayashi
Summary: New solid compounds A(3-x)GaO(4)H(1-y) (A = Sr, Ba 0.15, y SIM;0.3) have been synthesized, which are the first oxyhydrides containing gallium ions. The compounds adopt an anti-perovskite structure consisting of hydride-anion-centered HA(6) octahedra with tetrahedral GaO4 polyanions, showing partial defect in A- and H-sites. The thermodynamic stability and band gap of stoichiometric Ba3GaO4H are supported by formation energy calculations, and annealing Ba powder suggests H- desorption and O2-/H- exchange reactions.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Multidisciplinary
R. Madhumathy, K. Saranya, K. Moovendaran, K. Ramesh Babu, Arpita Rana, Kwang-Yong Choi, Heung-Sik Kim, Wei-Tin Chen, M. Ponmurugan, R. Sankar, I. Panneer Muthuselvam
Summary: The structural, magnetic, and thermodynamic properties of a quasi-one-dimensional (1D) S = 1 alternating spin chain compound Sr2Ni(SeO3)3 are investigated. Long-range antiferromagnetic order is observed at TN = 3.4(3) K and short-range order at Tm ≈ 7.8 K. Theoretical calculations reveal that interchain interactions are responsible for the observed long-range magnetic ordering.
Article
Materials Science, Multidisciplinary
S. Yano, Chin -Wei Wang, Jason S. Gardner, Wei-Tin Chen, Kazuki Iida, R. A. Mole, Despina Louca
Summary: In order to understand the properties of the 2D triangular Heisenberg antiferromagnetic system, we conducted a detailed investigation on the magnetic structures and dynamics of LuyY1-yMnO3. Our neutron powder diffraction data revealed that the magnetic structure of LuyY1-yMnO3 is a mixture of Gamma 3 and Gamma 4 at the Mn atomic position for y = 0.15, 0.30, and 0.45. The ratio of Gamma 3 and Gamma 4 depends on temperature and composition, with an increase in Gamma 3 fraction upon cooling. We also observed a weak trimerization effect on cooling due to the slightly enhanced nearest-neighbor exchange interaction. Additionally, we discovered gapless diffusive magnetic excitation from a Mn triangular lattice in LuyY1-yMnO3.
Article
Engineering, Electrical & Electronic
Ryunosuke Takahashi, Takuo Ohkochi, Daisuke Kan, Yuichi Shimakawa, Hiroki Wadati
Summary: Using a magneto-optical Kerr effect (MOKE) microscope, we observed laser-induced magnetization switching in ferrimagnetic oxide NiCo2O4 (NCO) epitaxial thin films with perpendicular magnetic anisotropy. Laser pulses at 1030 nm were used to irradiate the NCO thin film at different temperatures (300-400 K) while altering the parameters of pulse interval, fluence, and the number of pulses in the absence of an external magnetic field. We observed accumulative all-optical helicity-dependent switching above 380 K. Our observation of oxide NCO thin films facilitates magnetization switching using ultrafast lasers without the need for a magnetic field.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
