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Journal of Materials Chemistry A 2024年第3期12卷 1862-1862页

作者： Haolai Tian Guanqun Cai Lei Tan He Lin Anthony E. Phillips Isaac Abrahams David A. Keen Dean S. Keeble Andy Fiedler Junrong Zhang Xiang Yang Kong Martin T. Dove Computing Center Institute of High Energy Physics Beijing 100049 China University of Chinese Academy of Sciences Beijing 100049 China College of Chemistry and Molecular Engineering Peking University Beijing 100871 China School of Physics School of Sciences Wuhan University of Technology Wuhan Hubei 430070 China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201204 China School of Physical and Chemical Sciences Queen Mary University of London Mile End Road London UK ISIS Neutron and Muon Facility Rutherford Appleton Laboratory Harwell Campus Didcot Oxfordshire UK Diamond Light Source Ltd Harwell Science and Innovation Campus Didcot UK School of Materials Sciences and Engineering Shanghai Jiao Tong University Huashan Road 1954 Shanghai 200030 China Spallation Neutron Source Science Center Dongguan 523803 Guangdong China Institute of Atomic and Molecular Physics College of Computer Science Sichuan University Chengdu Suchuan 610065 China School of Mechanical Engineering Dongguan University of Technology Dongguan Guangdong 523000 China

Correction for ‘Local structure and lithium-ion diffusion pathway of cubic Li7La3Zr2O12 studied by total scattering and the Reverse Monte Carlo method’ by Haolai Tian et al., J. Mater. Chem. A, 2023, 11, 25516–2553...

Correction for ‘Local structure and lithium-ion diffusion pathway of cubic Li₇La₃Zr₂O₁₂ studied by total scattering and the Reverse Monte Carlo method’ by Haolai Tian et al., J. Mater. Chem. A, 2023, 11, 25516–25533, https://***/10.1039/D3TA04495E.

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An Extremely Deep Rubin Survey to Explore the Extended Kuiper Belt and Identify Objects Observable by New Horizons

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arXiv 2025年

作者： Kavelaars, J.J. Buie, Marc W. Fraser, Wesley C. Peltier, Lowell Benecchi, Susan D. Porter, Simon B. Verbiscer, Anne J. Gerdes, David W. Napier, Kevin J. Murtagh, Joseph Ito, Takashi Singer, Kelsi N. Stern, S. Alan Terai, Tsuyoshi Yoshida, Fumi Bannister, Michele T. Bernardinelli, Pedro H. Bernstein, Gary M. Chandler, Colin Orion Gladman, Brett Jones, Lynne Petit, Jean-Marc Schwamb, Megan E. Brandt, Pontus C. Parker, Joel W. National Research Council of Canada Herzberg Astronomy and Astrophysics Research Centre 5071 W. Saanich Rd. VictoriaBCV9E 2E7 Canada Department of Physics and Astronomy University of Victoria Elliott Building 3800 Finnerty Road VictoriaBCV8P 5C2 Canada Department of Physics & Astronomy University of British Columbia 6224 Agricultural Road VancouverBCV6T 1Z1 Canada Southwest Research Institute 1301 Walnut St. Suite 400 BoulderCO80302 United States Planetary Science Institute 1700 East Fort Lowell Suite 106 TucsonAZ85719 United States Department of Astronomy University of Virginia P.O. Box 400325 CharlottesvilleVA22904-4325 United States Department of Physics University of Michigan Ann ArborMI48109 United States Department of Astronomy University of Michigan Ann ArborMI48109 United States Michigan Institute for Data Science University of Michigan Ann ArborMI48109 United States Center for Astrophysics Harvard & Smithsonian 60 Garden Street CambridgeMA02138 United States Astrophysics Research Centre School of Mathematics and Physics Queen’s University Belfast BelfastBT7 1NN United Kingdom Center for Computational Astrophysics National Astronomical Observatory of Japan Osawa 2-21-1 Mitaka Tokyo181-8588 Japan Subaru Telescope National Astronomical Observatory of Japan 650 North A‘ohoku Place HiloHI96720 United States University of Occupational and Environmental Health 1-1 Iseigaoka Yahata Kitakyushu807-8555 Japan Planetary Exploration Research Center Chiba Institute of Technology 2-17-1 Tsudanuma Narashino Chiba275-0016 Japan School of Physical and Chemical Sciences — Te Kura Matū University of Canterbury Private Bag 4800 Christchurch8140 New Zealand DiRAC Institute The Department of Astronomy University of Washington Seattle United States Department of Physics and Astronomy University of Pennsylvania PhiladelphiaPA19104 United States Department of Astronomy and Planetary Science Northern Arizona University PO Box 6010

A proposed Vera C. Rubin Observatory Deep Drilling micro-survey of the Kuiper Belt will investigate key properties of the distant solar system. Utilizing 30 hours of Rubin time across six 5-hour visits over one year starting in summer 2026, the survey aims to discover and determine orbits for up to 730 Kuiper Belt Objects (KBOs) to an r-magnitude of 27.5. These discoveries will enable precise characterization of the KBO size distribution, which is critical for understanding planetesimal formation. By aligning the survey field with NASA’s New Horizons spacecraft trajectory, the micro-survey will facilitate discoveries for the mission operating in the Kuiper Belt. Modeling based on the Outer Solar System Origin Survey (OSSOS) predicts at least 12 distant KBOs observable with the New Horizons LOng Range Reconnaissance Imager (LORRI) and approximately three objects within 1 au of the spacecraft, allowing higher-resolution observations than Earth-based facilities. LORRI’s high solar phase angle monitoring will reveal these objects’ surface properties and shapes, potentially identifying contact binaries and orbit-class surface correlations. The survey could identify a KBO suitable for a future spacecraft flyby. The survey’s size, depth, and cadence design will deliver transformative measurements of the Kuiper Belt’s size distribution and rotational properties across distance, size, and orbital class. Additionally, the high stellar density in the survey field also offers synergies with transiting exoplanet studies. © 2025, CC BY.

关键词： NASA

Self-repairing high entropy oxides

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arXiv 2021年

作者： Liu, Zongwen Huang, Pengru Sun, Lixian Liu, Yanping Qu, Jiangtao Cairney, Julie Zheng, Zhong Wang, Zhiming M. Khan, Naveed A. Lai, Zhiping Fu, Li Teng, Bing Zhou, Cuifeng Zhao, Hong Xu, Fen Xiong, Pan Zhu, Junwu Yuan, Peng Tsoutas, Kosta Akhavan, Behnam Bilek, Marcela M. Ringer, Simon P. Novoselov, Kostya S. School of Chemical and Biomolecular Engineering The University of Sydney NSW2006 Australia The University of Sydney Nano Institute The University of Sydney NSW2006 Australia Department of Materials Science and Engineering National University of Singapore 117575 Singapore Guangxi Key Laboratory of Information Materials Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials School of Material Science & Engineering Guilin University of Electronic Technology Guilin541004 China School of Physics and Electronics Hunan Key Laboratory for Super-Microstructure and Ultrafast Process Central South University Hunan410083 China School of Aerospace Mechanical and Mechatronic Engineering The University of Sydney SydneyNSW2006 Australia The Australian Centre for Microscopy and Microanalysis The University of Sydney NSW2006 Australia Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu610054 China Advanced Membranes and Porous Materials Center Division of Physical Science and Engineering King Abdullah University of Science and Technology Thuwal23955 Saudi Arabia State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi'an710072 China College of Physics Qingdao University Qingdao266071 China Key Laboratory for Soft Chemistry and Functional Materials Ministry Education Nanjing University of Science and Technology Nanjing210094 China CAS Key Laboratory of Mineralogy and Metallogeny Guangdong Provincial Key laboratory of Mineral Physics and Materials Guangzhou Institute of Geochemistry Chinese Academy of Sciences Guangzhou510640 China School of Physics The University of Sydney NSW2006 Australia School of Biomedical Engineering The University of Sydney NSW2006 Australia

All biological organisms, from plants to living creatures, can heal minor wounds and damage. The realization of a similar self-healing capacity in inorganic materials has been a design target for many decades. This would represent a breakthrough in materials engineering, enabling many novel technological applications, since such materials would be able to resist damage caused by electromagnetic irradiation and/or mechanical impact. Here we demonstrate that a high-entropy oxide is intrinsically capable of undergoing an autonomous self-repairing process. Transmission electron microscopy revealed that the spinel structure of (AlCoCrCu0.5FeNi)3O4 can regrow and repair itself at the atomic level when damaged. Density functional theory calculations reveal that the extra enthalpy stored in the high entropy material during fabrication can be released to effectively heal macroscopic defects by regrowing into a partially ordered state. This extraordinary self-repairing phenomenon makes this new material highly desirable as a coating, enabling structures used in harsh environments to better withstand damage, such as cosmic irradiation in space, nuclear irradiation in nuclear power facilities, or tribological damage. Most importantly, our results set the general design principles for the synthesis of self-repairing materials. Copyright © 2021, The Authors. All rights reserved.

关键词： Entropy

Overcoming the surface paradox: Buried perovskite quantum dots in wide-bandgap perovskite thin films

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arXiv 2025年

作者： Zhang, Hao Pasha, Altaf Metcalf, Isaac Zhou, Jianlin Staunstrup, Mathias Zhu, Yunxuan Liao, Shusen Ssennyimba, Ken Chen, Jia-Shiang Reddy, Surya Prakash Thébaud, Simon Hou, Jin Shuai, Xinting Mandani, Faiz Sidhik, Siraj Jones, Matthew R. Ma, Xuedan Balakrishna, R. Geetha Susarla, Sandhya Ginger, David S. Katan, Claudine Kanatzidis, Mercouri G. Bawendi, Moungi G. Natelson, Douglas Tamarat, Philippe Lounis, Brahim Even, Jacky Mohite, Aditya D. Department of Chemical and Biomolecular Engineering Rice University HoustonTX77005 United States Applied Physics Program Smalley‐Curl Institute Rice University HoustonTX77005 United States Centre for Nano and Material Sciences Jain University Jain Global Campus Kanakapura Karnataka Bangalore562112 India Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States Université de Bordeaux LP2N Talence France Institut d’Optique CNRS LP2N Talence France Department of Physics and Astronomy Rice University HoustonTX77005 United States Center for Nanoscale Materials Argonne National Laboratory LemontIL60439 United States School for Engineering of Matter Transport and Energy Arizona State University TempeAZ85281 United States UMR 6082 CNRS INSA de Rennes Rennes35708 France Department of Chemistry Rice University HoustonTX77005 United States Department of Chemistry University of Washington Box 351700 SeattleWA98195-1700 United States UMR 6226 Rennes35000 France Department of Chemistry Northwestern University EvanstonIL United States Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Avenue CambridgeMA02139 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States

Colloidal perovskite quantum dots (PQDs) are an exciting platform for on-demand quantum, and classical optoelectronic and photonic devices. However, their potential success is limited by the extreme sensitivity and low stability arising from their weak intrinsic lattice bond energy and complex surface chemistry. Here we report a novel platform of buried perovskite quantum dots (b-PQDs) in a three-dimensional perovskite thin-film, fabricated using one-step, flash annealing, which overcomes surface related instabilities in colloidal perovskite dots. The b-PQDs demonstrate ultrabright and stable single-dot emission, with resolution-limited linewidths below 130 μeV, photon-antibunching (g2(0)=0.1), no blinking, suppressed spectral diffusion, and high photon count rates of 104/s, consistent with unity quantum yield. The ultrasharp linewidth resolves exciton fine-structures (dark and triplet excitons) and their dynamics under a magnetic field. Additionally, b-PQDs can be electrically driven to emit single photons with 1 meV linewidth and photon-antibunching (g2(0)=0.4). These results pave the way for on-chip, low-cost single-photon sources for next generation quantum optical communication and sensing. © 2025, CC BY.

关键词： Photons

DNA Origami-Based Single-Molecule CRISPR Machines for Spatially Resolved Searching

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Angewandte Chemie 2022年第34期134卷

作者： Dr. Yaya Hao Prof. Mingqiang Li Dr. Qian Zhang Prof. Jiye Shi Prof. Jiang Li Prof. Qian Li Prof. Chunhai Fan Prof. Fei Wang School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative Molecules and National Center for Translational Medicine Shanghai Jiao Tong University Shanghai 200240 China Division of Physical Biology CAS Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied Physics Chinese Academy of Sciences Shanghai 201800 China The Interdisciplinary Research Center Shanghai Synchrotron Radiation Facility Zhangjiang Laboratory Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201210 China

Repurposing the RNA-guided endonuclease Cas9 to develop artificial CRISPR molecular machines represents a new direction toward synthetic molecular information processing. The operation of CRISPR-Cas9-based machines, nevertheless, relies on the molecular recognition of freely diffused sgRNA/Cas9, making it practically challenging to perform spatially regulated localized searching or navigation. Here, we develop a DNA origami-based single-molecule CRISPR machine that can perform spatially resolved DNA cleavage via either free or localized searching modes. When triggered at a specific site on the DNA origami with nanoscale accuracy, the free searching mode leads to searching activity that gradually decays with the distance, whereas the localized mode generates spatially-confined searching activity. Our work expands the function of CRISPR molecular machines and lays foundations to develop integrated molecular circuits and high-throughput nucleic acid detection.

关键词： CRISPR-Cas9 DNA Origami Localized Searching Molecular Machine Single-Molecule Imaging

Signatures of Weyl fermion annihilation in a correlated kagome magnet

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arXiv 2021年

作者： Belopolski, Ilya Cochran, Tyler A. Liu, Xiaoxiong Cheng, Zi-Jia Yang, Xian P. Guguchia, Zurab Tsirkin, Stepan S. Yin, Jia-Xin Vir, Praveen Thakur, Gohil S. Zhang, Songtian S. Zhang, Junyi Kaznatcheev, Konstantine Cheng, Guangming Chang, Guoqing Multer, Daniel Shumiya, Nana Litskevich, Maksim Vescovo, Elio Kim, Timur K. Cacho, Cephise Yao, Nan Felser, Claudia Neupert, Titus Hasan, M. Zahid Department of Physics Princeton University PrincetonNJ08544 United States Saitama Wako351-0198 Japan Department of Physics University of Zurich Winterthurerstrasse 190 Zurich8057 Switzerland Laboratory for Muon Spin Spectroscopy Paul Scherrer Institute Villigen PSI Switzerland Max Planck Institute for Chemical Physics of Solids Nöthnitzer Straße 40 Dresden01187 Germany Faculty of Chemistry and Food Chemistry Technische Universitat Dresden01069 Germany Department of Physics Princeton University PrincetonNJ08544 United States National Synchrotron Light Source II Brookhaven National Laboratory UptonNY11973 United States Princeton Institute for Science and Technology of Materials Princeton University PrincetonNJ08544 United States Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 21 Nanyang Link 637371 Singapore Diamond Light Source DidcotOX11 0DE United Kingdom Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States

The manipulation of topological states in quantum matter is an essential pursuit of fundamental physics and next-generation quantum technology. Here we report the magnetic manipulation of Weyl fermions in the kagome spin-orbit semimetal Co3Sn2S2, observed by high-resolution photoemission spectroscopy. We demonstrate the exchange collapse of spin-orbit-gapped ferromagnetic Weyl loops into paramagnetic Dirac loops under suppression of the magnetic order. We further observe that topological Fermi arcs disappear in the paramagnetic phase, suggesting the annihilation of exchange-split Weyl points. Our findings indicate that magnetic exchange collapse naturally drives Weyl fermion annihilation, opening new opportunities for engineering topology under correlated order parameters. © 2021, CC BY.

关键词： Paramagnetism

Measurement of the mean central optical depth of galaxy clusters via the pairwise kinematic Sunyaev-Zel’dovich effect with SPT-3G and DES

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physical Review D 2023年第4期107卷 042004-042004页

作者： E. Schiappucci F. Bianchini M. Aguena M. Archipley L. Balkenhol L. E. Bleem P. Chaubal T. M. Crawford S. Grandis Y. Omori C. L. Reichardt E. Rozo E. S. Rykoff C. To T. M. C. Abbott P. A. R. Ade O. Alves A. J. Anderson F. Andrade-Oliveira J. Annis J. S. Avva D. Bacon K. Benabed A. N. Bender B. A. Benson G. M. Bernstein E. Bertin S. Bocquet F. R. Bouchet D. Brooks D. L. Burke J. E. Carlstrom A. Carnero Rosell M. Carrasco Kind J. Carretero T. W. Cecil C. L. Chang P. M. Chichura T.-L. Chou M. Costanzi A. Cukierman L. N. da Costa C. Daley T. de Haan S. Desai K. R. Dibert H. T. Diehl M. A. Dobbs P. Doel C. Doux D. Dutcher S. Everett W. Everett C. Feng K. R. Ferguson I. Ferrero A. Ferté B. Flaugher A. Foster J. Frieman S. Galli A. E. Gambrel J. García-Bellido R. W. Gardner M. Gatti T. Giannantonio N. Goeckner-Wald D. Gruen R. Gualtieri S. Guns G. Gutierrez N. W. Halverson S. R. Hinton E. Hivon G. P. Holder D. L. Hollowood W. L. Holzapfel K. Honscheid J. C. Hood N. Huang D. J. James L. Knox M. Korman K. Kuehn C.-L. Kuo O. Lahav A. T. Lee C. Lidman M. Lima A. E. Lowitz C. Lu M. March J. Mena-Fernández F. Menanteau M. Millea R. Miquel J. J. Mohr J. Montgomery J. Muir T. Natoli G. I. Noble V. Novosad R. L. C. Ogando S. Padin Z. Pan F. Paz-Chinchón M. E. S. Pereira A. Pieres A. A. Plazas Malagón K. Prabhu J. Prat W. Quan A. Rahlin M. Raveri M. Rodriguez-Monroy A. K. Romer M. Rouble J. E. Ruhl E. Sanchez V. Scarpine M. Schubnell G. Smecher M. Smith M. Soares-Santos J. A. Sobrin E. Suchyta A. Suzuki G. Tarle D. Thomas K. L. Thompson B. Thorne C. Tucker C. Umilta J. D. Vieira M. Vincenzi G. Wang N. Weaverdyck J. Weller N. Whitehorn W. L. K. Wu V. Yefremenko M. R. Young School of Physics University of Melbourne Parkville Victoria 3010 Australia Kavli Institute for Particle Astrophysics and Cosmology Stanford University 452 Lomita Mall Stanford California 94305 USA Department of Physics Stanford University 382 Via Pueblo Mall Stanford California 94305 USA SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park California 94025 USA Laboratório Interinstitucional de e-Astronomia-LIneA Rua Gal. José Cristino 77 Rio de Janeiro RJâ€”20921-400 Brazil Department of Astronomy University of Illinois Urbana-Champaign 1002 West Green Street Urbana Illinois 61801 USA Center for AstroPhysical Surveys National Center for Supercomputing Applications Urbana Illinois 61801 USA High-Energy Physics Division Argonne National Laboratory 9700 South Cass Avenue. Lemont Illinois 60439 USA Kavli Institute for Cosmological Physics University of Chicago 5640 South Ellis Avenue Chicago Illinois 60637 USA Department of Astronomy and Astrophysics University of Chicago 5640 South Ellis Avenue Chicago Illinois 60637 USA University Observatory Faculty of Physics Ludwig-Maximilians-Universität Scheinerstr. 1 81679 Munich Germany Excellence Cluster ORIGINS Boltzmannstr. 2 85748 Garching Germany Department of Astronomy and Astrophysics University of Chicago Chicago Illinois 60637 USA Kavli Institute for Cosmological Physics University of Chicago Chicago Illinois 60637 USA Kavli Institute for Particle Astrophysics & Cosmology P. O. Box 2450 Stanford University Stanford California 94305 USA Department of Physics University of Arizona Tucson Arizona 85721 USA SLAC National Accelerator Laboratory Menlo Park California 94025 USA Center for Cosmology and Astro-Particle Physics The Ohio State University Columbus Ohio 43210 USA Cerro Tololo Inter-American Observatory NSF’s National Optical-Infrared Astronomy Research Laboratory Casilla 603 La Serena Chile School of Physics and Astronomy Cardiff University Cardiff CF24 3

We infer the mean optical depth of a sample of optically selected galaxy clusters from the Dark Energy Survey via the pairwise kinematic Sunyaev-Zel’dovich (KSZ) effect. The pairwise KSZ signal between pairs of clusters drawn from the Dark Energy Survey Year-3 cluster catalog is detected at 4.1σ in cosmic microwave background temperature maps from two years of observations with the SPT-3G camera on the South Pole Telescope. After cuts, there are 24,580 clusters in the ∼1,400 deg2 of the southern sky observed by both experiments. We infer the mean optical depth of the cluster sample with two techniques. The optical depth inferred from the pairwise KSZ signal is τ¯e=(2.97±0.73)×10−3, while that inferred from the thermal SZ signal is τ¯e=(2.51±0.55stat±0.15syst)×10−3. The two measures agree at 0.6σ. We perform a suite of systematic checks to test the robustness of the analysis.

关键词： Cosmic microwave background Cosmological parameters Dark energy Experimental studies of gravity

Tequila: A platform for rapid development of quantum algorithms

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arXiv 2020年

作者： Kottmann, Jakob S. Alperin-Lea, Sumner Tamayo-Mendoza, Teresa Cervera-Lierta, Alba Lavigne, Cyrille Yen, Tzu-Ching Verteletskyi, Vladyslav Schleich, Philipp Anand, Abhinav Degroote, Matthias Chaney, Skylar Kesibi, Maha Curnow, Naomi Grace Solo, Brandon Tsilimigkounakis, Georgios Zendejas-Morales, Claudia Izmaylov, Artur F. Aspuru-Guzik, Alán Chemical Physics Theory Group Department of Chemistry University of Toronto Canada Department of Computer Science University of Toronto Canada Department of Chemistry and Chemical Biology Harvard University United States Center for Computational Engineering Science RWTH Aachen University Aachen Germany Department of Physics Williams College WilliamstownMA United States University of Cambridge United Kingdom Quantum Open Source Foundation QC Mentorship Program Department of Physical and Environmental Sciences University of Toronto Scarborough Canada Vector Institute for Artificial Intelligence Toronto Canada Lebovic Fellow Toronto Canada

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic development yet, and the field continues to evolve rapidly. As in classical computing, heuristics play a crucial role in the development of new quantum algorithms, resulting in a high demand for flexible and reliable ways to implement, test, and share new ideas. Inspired by this demand, we introduce tequila, a development package for quantum algorithms in python, designed for fast and flexible implementation, prototyping and deployment of novel quantum algorithms in electronic structure and other fields. tequila operates with abstract expectation values which can be combined, transformed, differentiated, and optimized. On evaluation, the abstract data structures are compiled to run on state of the art quantum simulators or interfaces. Copyright © 2020, The Authors. All rights reserved.

关键词： Quantum theory

Enhanced ferroelectric and piezoelectric properties of BCT-BZT at the morphotropic phase boundary driven by the coexistence of phases with different symmetries

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physical Review B 2021年第22期104卷 224105-224105页

作者： Smaranika Dash Dhiren K. Pradhan Shalini Kumari Ravikant Md. Mijanur Rahaman C. Cazorla Kumar Brajesh Ashok Kumar Reji Thomas Philip D. Rack Dillip K. Pradhan Department of Physics and Astronomy NIT Rourkela Rourkela Odisha 769008 India Department of Materials Science and Engineering University of Tennessee Knoxville Tennessee 37996 USA Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Materials Science & Engineering The Pennsylvania State University University Park Pennsylvania 16802 USA Department of Physics Government College Sailana Vikram University Ujjain Madhya Pradesh 456010 India Departmental of Materials Science and Engineering University of Rajshahi Rajshahi 6205 Bangladesh Departament de Física Universitat Politècnica de Catalunya Campus Nord B4-B5 Barcelona E-08034 Spain Department of Material Science and Engineering Indian Institute of Technology Kanpur Kanpur 208016 India CSIR-National Physical Laboratory Dr. K. S. Krishnan Marg New Delhi 110012 India Academy of Scientific and Innovative Research (AcSIR) Ghaziabad 201002 India Division of Research and Development Lovely Professional University Jalandhar-Delhi G.T. Road Phagwara Punjab 144411 India School of Chemical Engineering and Physical Sciences Lovely Professional University Jalandhar-Delhi G.T. Road Phagwara Punjab 144411 India

The discovery of lead-free piezoelectric materials is crucial for future information and energy storage applications. Enhanced piezoelectric and other physical properties are commonly observed near the morphotropic phase boundary (MPB) composition of ferroelectric solid solutions. The (1−x)Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 (BZT−xBCT) system exhibits a large electromechanical response around its MPB region at x=0.5. We report experimental and theoretical results of BZT−xBCT over a wide composition range (0.3≤x≤1.0). X-ray diffraction and Raman spectroscopy studies indicate a composition-induced structural phase transition from a rhombohedral (R3m) phase at x≤0.4 to a tetragonal (P4mm) phase at x≥0.6 through a multiphase coexistence region at 0.45 ≤ x≤0.55 involving orthorhombic + tetragonal (Amm2 + P4mm) phases. First-principles calculations elucidate the phase competition in the coexistence region. The critical composition (x=0.5) displays enhanced dielectric, ferroelectric, and piezoelectric properties, where notably d33∼320 pC/N. This paper provides clear evidence of Amm2 + P4mm crystallographic phases in the MPB region, which is responsible for the improved functional properties.

关键词： Dielectric properties Ferroelectricity Piezoelectricity

Collective modes and gapped momentum states in liquid Ga: Experiment, theory, and simulation

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physical Review B 2020年第21期101卷 214312-214312页

作者： R. M. Khusnutdinoff C. Cockrell O. A. Dicks A. C. S. Jensen M. D. Le L. Wang M. T. Dove A. V. Mokshin V. V. Brazhkin K. Trachenko Department of Physics Kazan State University 420008 Kazan Russia School of Physics and Astronomy Queen Mary University of London Mile End Road London E1 4NS United Kingdom Department of Chemical Engineering Imperial College London London SW7 2AZ United Kingdom ISIS facility Rutherford Appleton Laboratory Chilton Didcot OX11 0QX Oxfordshire United Kingdom Department of Physics School of Sciences Wuhan University of Technology 205 Luoshi Road Hongshan district Wuhan Hubei 430070 People's Republic of China College of Computer Science and College of Physical Science & Technology Sichuan University Chengdu 610065 People's Republic of China Institute for High Pressure Physics RAS 108840 Moscow Russia

Collective excitations in liquids are important for understanding liquid dynamical and thermodynamic properties. Gapped momentum states (GMS) are a notable feature of liquid dynamics predicted to operate in the transverse collective excitations. Here, we combine inelastic neutron scattering experiments, theory, and molecular dynamics modeling to study collective excitations and GMS in liquid Ga in a wide range of temperature and k points. We find that all three lines of enquiry agree for the longitudinal liquid collective dynamics. In the transverse collective dynamics, the experiments agree with theory, modeling, as well as earlier x-ray experiments at larger k, whereas theory and modeling agree in a wide range of temperature and k points. We observe the emergence and development of the k gap in the transverse dispersion relation which increases with temperature and inverse of relaxation time as predicted theoretically.

关键词： Acoustic phonons Phonons Transport phenomena Liquids Molecular dynamics Neutron scattering