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arXiv 2023年

作者： Zhang, Ruiqi Huang, Cheng-Yi Kargarian, Mehdi Verma, Rahul Markiewicz, Robert S. Bansil, Arun Sun, Jianwei Singh, Bahadur Department of Physics and Engineering Physics Tulane University New OrleansLA70118 United States Department of Physics Northeastern University BostonMA02115 United States Department of Physics Sharif University of Technology Tehran Iran Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai400005 India

Flat bands coupled with magnetism and topological orders near or at the Fermi level are well known to drive exotic correlation physics and unconventional superconductivity. Here, based on first-principles modeling combined with an in-depth symmetry analysis, we reveal the presence of topological flat bands involving low-energy Ni-3dz2 states in the recently discovered superconductor LaNiO2. Our analysis demonstrates that LaNiO2 is an Axion insulator with 4 = 2 and that it supports topological crystalline insulating states protected by the glide mirror symmetries. The topological flat bands in LaNiO2 are also shown to host odd-parity superconductivity. Our study indicates that the nickelates would provide an interesting materials platform for exploring the interplay of flat bands, topological states, and superconductivity. © 2023, CC BY.

关键词： Nickel compounds

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Impact of fabrication methods on binder distribution and charge transport in composite cathodes of all-solid-state batteries

材料展望（英文）

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材料展望（英文） 2023年第4期 121-129页

作者： Benjamin Emley Chaoshan Wu Lihong Zhao Qing Ai Yanliang Liang Zhaoyang Chen Liqun Guo Tanguy Terlier Jun Lou Zheng Fan Yan Yao Materials Science and Engineering Program and Texas Center for Superconductivity at the University of Houston University of Houston4726 Calhoun RdHoustonTX 77204United States of America Materials Science and Engineering Program and Texas Center for Superconductivity at the University of Houston University of Houston4726 Calhoun RdHoustonTX 77204United States of America Department of Electrical and Computer Engineering University of Houston4726 Calhoun RdHoustonTX 77204United States of America Department of Materials Science and Nano Engineering Rice University6100 Main StreetHoustonTX 77005United States of America SIMS Laboratory Shared Equipment AuthorityRice UniversityHoustonTX 77005United States of America Department of Engineering Technology University of HoustonHoustonTX 77204United States of America

The manufacturing process of all-solid-state batteries necessitates the use of polymer ***,these binders,being ionic insulators by nature,can adversely affect charge transport within composite cathodes,thereby impacting the rate performance of the *** this work,we aim to investigate the impact of fabrication methods,specifically the solvent-free dry process versus the slurry-cast wet process,on binder distribution and charge transport in composite cathodes of solid-state *** the dry process,the binder forms a fibrous network,while the wet process results in binder coverage on the surface of cathode active *** difference in microstructure leads to a notable 20-fold increase in ionic conductivity in the dry-processed ***,the cells processed via the dry method exhibit higher capacity retention of 89％and 83％at C/3 and C/2 rates,respectively,in comparison to 68％and 58％for the wet-processed cells at the same *** findings provide valuable insights into the influence of fabrication methods on binder distribution and charge transport,contributing to a better understanding of the binder's role in manufacturing of all-solid-state batteries.

关键词： solid-state battery solvent-free dry process polymer binder lithium thiophosphate electrolyte

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Mirror Chern Bands and Weyl Nodal Loops in Altermagnets

arXiv

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arXiv 2024年

作者： Antonenko, Daniil S. Fernandes, Rafael M. Venderbos, Jörn W.F. Department of Physics Yale University New HavenCT06520 United States School of Physics and Astronomy University of Minnesota MinneapolisMN55455 United States Department of Physics Drexel University PhiladelphiaPA19104 United States Department of Materials Science & Engineering Drexel University PhiladelphiaPA19104 United States

The electronic spectra of altermagnets are a fertile ground for nontrivial topology due to the unique interplay between time-reversal and crystalline symmetries. This is reflected in the unconventional Zeeman splitting between bands of opposite spins, which emerges in the absence of spin-orbit coupling (SOC) and displays nodes along high-symmetry directions. Here, we argue that even for a small SOC, the direction of the magnetic moments in the altermagnetic state has a profound impact on the electronic spectrum, enabling novel topological phenomena to appear. By investigating microscopic models for two-dimensional (2D) and three-dimensional (3D) altermagnets, motivated in part by rutile materials, we demonstrate the emergence of hitherto unexplored Dirac crossings between bands of the same spin but opposite sublattices. The direction of the moments determines the fate of these crossings when the SOC is turned on. We focus on the case of out-of-plane moments, which forbid an anomalous Hall effect and thus ensure that no weak magnetization is triggered in the altermagnetic state. In the 2D model, the SOC gaps out the Dirac crossings, resulting in mirror Chern bands that enable the Quantum Spin Hall Effect and undergo a topological transition to trivial bands upon increasing the magnitude of the magnetic moment. On the other hand, in the 3D model the crossings persist even in the presence of SOC, forming Weyl nodal loops protected by mirror symmetry. Finally, we discuss possible ways to control these effects in altermagnetic material candidates. Copyright © 2024, The Authors. All rights reserved.

关键词： Magnetic moments

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Electronic nematic order in the normal state of strontium ruthenate

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Physical Review B 2023年第8期108卷 L081105-L081105页

作者： Ryan S. Russell Hari P. Nair Kyle M. Shen Darrell G. Schlom John W. Harter Materials Department University of California Santa Barbara California 93106 USA Department of Materials Science and Engineering Cornell University Ithaca New York 14853 USA Physics Department Cornell University Ithaca New York 14853 USA Kavli Institute at Cornell for Nanoscale Science Ithaca New York 14853 USA Leibniz-Institut für Kristallzüchtung 12489 Berlin Germany

Despite significant achievements in characterizing the properties of Sr2RuO4 over the last three decades, the precise nature of its electronic ground state is still unresolved. In this work, we provide a missing piece of the puzzle by uncovering evidence of electronic nematic order in the normal state of Sr2RuO4, revealed by ultrafast time-resolved optical dichroism measurements of uniaxially strained thin films. This nematic order, whose domains are aligned by the strain, spontaneously breaks the fourfold rotational symmetry of the crystal. The temperature dependence of the dichroism resembles an Ising-like order parameter, and optical pumping induces a coherent oscillation of its amplitude mode. The existence of electronic nematic order in the normal state of Sr2RuO4 may have consequences for the form and mechanism of superconductivity in this material.

关键词： Nematic order Ruthenates Reflectivity Ultrafast pump-probe spectroscopy

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Non-equilibrium Thermal Resistance of Interfaces Between III-V Compounds

arXiv

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arXiv 2023年

作者： Han, Jinchen Lee, Sangyeop Department of Mechanical Engineering and Materials Science University of Pittsburgh PittsburghPA15261 United States Department of Physics and Astronomy University of Pittsburgh PittsburghPA15261 United States

Interfacial thermal resistance has been often estimated and understood using the Landauer formalism that assumes incident phonons with equilibrium distribution. However, previous studies suggest that phonons are out-of-equilibrium near the interface because of the heat flow through the leads and the scattering of phonons by the interface. In this paper, we report a systematic study on how vibrational spectra mismatch affects the degree of phonon non-equilibrium near an interface, how fast it is relaxed as the phonons diffuse into a lead, and the overall interfacial thermal resistance from the non-equilibrium phonons. Our discussion is based on the solution of the Peierls-Boltzmann transport equation with ab initio inputs for 36 interfaces between semi-infinite group-III (Al, Ga, In) and group-V (P, As, Sb) compound semiconductor leads. The simulation reveals that the non-equilibrium phonons cause significant interfacial thermal resistance for all 36 interfaces, making the overall interfacial thermal resistance two to three times larger than that predicted by the Landauer formalism. We observe a clear trend that the degree of phonon non-equilibrium near an interface and the interfacial thermal resistance from the non-equilibrium phonons increase as the mismatch of the Debye temperature of two lead materials increases. This contrasts with the Landauer formalism’s predictions, which show no correlation with the Debye temperature mismatch. The relaxation length of the phonon non-equilibrium varies significantly from 50 nm to 1.5 µm depending on the combination of the lead materials. The relaxation length is proportional to the phonon mean free path of the corresponding lead material but also largely depends on the material in the opposite lead. This suggests the relaxation length cannot be considered an intrinsic property of the corresponding lead material. These findings offer vital insights for understanding non-equilibrium effects on the interfacial thermal transport

关键词： Phonons

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Investigating Interfacial Segregation of Ω/Al in Al-Cu Alloys: A Comprehensive Study Using Density Functional Theory and Machine Learning

SSRN

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SSRN 2024年

作者： Liu, Yu Zhang, Yin Xiao, Namin Li, Xingwu Dai, Fu-Zhi Chen, Mohan HEDPS CAPT College of Engineering School of Physics Peking University Beijing100871 China State Key Laboratory for Turbulence and Complex System Department of Mechanics and Engineering Science BIC-ESAT College of Engineering Peking University Beijing100871 China Beijing Institute of Aeronautical Materials Aero Engine Corporation of China Beijing China School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China AI for Science Institute Beijing100080 China

Solute segregation at the interface between the aluminum (Al) matrix and the Ω (Al2Cu) phase decreases the interfacial energy, impedes the coarsening of precipitates, and enhances the thermal stability of such precipitates. We conduct a systematic density functional theory study to calculate the mixing energies of 42 solute elements within the Al and Cu sublattices of the Ω phase, as well as the solute segregation energies of these elements at the coherent and semi-coherent interfaces of the two phases. Using correlation analysis and machine learning methods, we establish the relationship between the solute segregation energy and 20 selected atomic descriptors. We uncover the trends displayed by different solute atoms in enhancing the thermal stability of Al-Cu alloys. Moreover, we observe that the solute segregation energy at the interfacial site of the semi-coherent interface correlates with the atomic size of solute atoms and their solubilities within the Ω phase. The developed machine learning models prove reliable in predicting solute segregation energies at various sites of the coherent and semi-coherent interfaces. The DFT data and machine-learning analysis offer insights into the stabilizing potential of individual elements at the Ω/Al interface in Al-Cu alloys. © 2024, The Authors. All rights reserved.

关键词： Density functional theory

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材料、能源、机械工程中高效的电流变技术——从机理到应用

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engineering 2023年第5期24卷 151-171,I0004页

作者： Yudai Liang Dongyang Huang Xuefeng Zhou Ziqiu Wang Quan Shi Yaying Hong Huayan Pu Mengying Zhang Jinbo Wu Weijia Wen Materials Genome Institute Shanghai UniversityShanghai 200444China Zhejiang Laboratory Hangzhou 311100China Fok Ying Tung Research Institute The Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511458China School of Mechatronic Engineering and Automation Shanghai UniversityShanghai 200444China Department of Physics Shanghai UniversityShanghai 200444China Department of Physics The Hong Kong University of Science and TechnologyHong Kong 999077China The Advanced Material Thrust The Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511458China

电流变(ER)技术是一种基于电流变效应的先进技术。电流变技术中最常见的材料是电流变液(ERF)。电流变液是一种软物质智能材料,其黏度可以通过施加电场来可逆地调节。电流变液的衍生物、一种新型的电响应软物质材料——电流变弹性体(ERE)... 详细信息

电流变(ER)技术是一种基于电流变效应的先进技术。电流变技术中最常见的材料是电流变液(ERF)。电流变液是一种软物质智能材料,其黏度可以通过施加电场来可逆地调节。电流变液的衍生物、一种新型的电响应软物质材料——电流变弹性体(ERE),由于其不沉降、易封装的优点也得到了越来越多的关注。电流变材料由于其可逆可调、快速响应、低能耗等特性在机械工程中有着广泛的应用。除了基础的电流变材料的合成和应用以外,电流变技术还应用在了能源材料制备、石油运输、储能等诸多领域。电流变技术在能源领域的应用为其在其他领域的潜在应用提供了一个很好的范例。本文结合最新的研究成果,从机理到应用,系统地综述了电流变技术在材料、能源和机械工程等领域的研究现状和未来发展前景。

关键词：电流变技术电流变弹性体电流变材料机械工程石油运输电流变液电流变效应智能材料

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Facile synthesis and electrochemical performance of bacterial cellulose/reduced graphene oxide/NiCo-layered double hydroxide composite film for self-standing supercapacitor electrode

引用

materials science for Energy Technologies 2025年第1期8卷 66-81页

作者： Muhammad Afdhal Saputra, A. Marpongahtun Andriayani Alemin Barus, Diana Goei, Ronn Tok, Alfred Ibadurrahman, Muhammad Ramadhan, H.T.S Risky Irvan Hasibuan, Muhammad Peijs, Ton Gea, Saharman Postgraduate School Department of Chemistry Faculty of Mathematics and Natural Sciences Universitas Sumatera Utara Jl. Bioteknologi No. 1 Medan 20155 Indonesia Cellulosic and Functional Material Research Center Universitas Sumatera Utara Medan Indonesia Department of Chemistry Faculty of Mathematics and Natural Sciences Universitas Sumatera Utara Medan20115 Indonesia Department of Physics Faculty of Mathematics and Natural Sciences Universitas Sumatera Utara Medan20115 Indonesia School of Materials Science and Engineering Nanyang Technological University 50 Nanyang Avenue 639798 Singapore Centre for Polymers and Composites WMG University of Warwick CoventryCV4 7AL United Kingdom

This study employs a cost-efficient method to create a pliable BC/rGO-NiCo-LDH electrode film on a bacterial cellulose base. X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX) analyses verified the incorporation of reduced graphene oxide (rGO) and nickel–cobalt layered double hydroxide (NiCo-LDH) into the bacterial cellulose structure. The BC/rGO-NiCo-LDH composite material exhibited high-temperature stability and achieved a specific capacitance of 311 F g−1 at a scan rate of 0.1 mV/s, surpassing that of earlier cellulose electrodes. The electrode film showed exceptional mechanical capabilities, displaying flexibility and load resistance without any structural damage. The film's flexibility and lightweight properties were improved due to the low density of 0.656 g cm−3, which is a result of the nanoporous structure and intrinsic low density of rGO and cellulose. A retention ratio of 0.40 for storage modulus at a glass transition temperature of around 90°C demonstrated positive mechanical performance. This cost-effective and uncomplicated synthesis approach produced a BC/rGO-NiCo-LDH electrode with potential. The material possessed favourable mechanical and electrochemical characteristics, making it suitable for wearable electronics. © 2024

关键词： Fourier transform infrared spectroscopy

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Ab Initio Study of Electronic Structure, Bonding and Optical Properties of Ternary A2b2in (a = Ca, EU and B = Pd, Pt) Indides

SSRN

引用

SSRN 2023年

作者： Tariq, Tooba Haseeb, Muhammad Hu, Tao Rasul, Muhammad Nasir Aslam, Ahmad Waqar Rafiq, M. Amir Rehman, Jalil ur Hussain, Altaf Institute of Physics The Islamia University of Bahawalpur Bahawalpur63100 Pakistan School of Materials Science and Engineering Shanghai University Shanghai200444 China Department of Physics Khwaja Fareed University of Engineering & Information Technology RYK64200 Pakistan

Crystal structure, optical and electronic properties of metal rich intermetallic Ca2Pd2In, Ca2Pt2In, Eu2Pd2In and Eu2Pt2In compounds have been explored using density functional theory based orthogonalized linear combination of atomic orbitals (OLCAO) method and code. The local density approximation scheme has been employed to probe all the properties. The outcomes of the electronic structure revealed the conducting nature of ternary indides. Density of states plots of ternary indides exhibited an increased number of energy states moving from Ca2Pd2In, Ca2Pt2In, Eu2Pd2In through Eu2Pt2In at the Fermi level which substantiate the metallic nature of these compounds. The localization index calculations reflected the highly delocalized states in the vicinity of the Fermi level. The cationic behavior of Ca- and Eu-atoms and anionic character of Pd-, Pt- and In-atoms has been evaluated through the effective charge ( ) calculations. Bond order calculations indicated highest strength of Ca2Pt2In among the studied indides. Optical features in the form of complex dielectric function, optical conductivity and electron energy loss function have been thoroughly discoursed. Two major peaks in electron energy loss spectra occur at 29.77 and 27.83 eV demonstrated the plasmonic resonance. © 2023, The Authors. All rights reserved.

关键词： Electronic structure

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Two-dimensional multiferroic NbPc COF with strong magnetoelectric coupling and room-temperature ferroelectricity

arXiv

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arXiv 2025年

作者： Li, Wei Zhu, Dongyang Dong, Shuai Zhang, Jun-Jie Key Laboratory of Quantum Materials and Devices Ministry of Education School of Physics Southeast University Nanjing211189 China Department of Chemical and Biomolecular Engineering Rice University HoustonTX77005 United States Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

The realization of two-dimensional multiferroics offers significant potential for nanoscale device functionality. However, type-I two-dimensional multiferroics with strong magnetoelectric coupling, enabling electric field control of spin, remain scarce. In this study, using density functional theory and Monte Carlo simulations, we predict that the niobium phthalocyanine covalent organic framework (NbPc COF) monolayer exhibits type-I multiferroic behavior, with a ferroelectric transition occurring above room temperature. Remarkably, the strong magnetoelectric coupling in NbPc COF monolayer arises from the same origin of magnetism and ferroelectricity. Our findings offer flexible pathways for the design and development of organic nanoscale multiferroic devices with broad applications. © 2025, CC BY.

关键词： Ferroelectricity

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