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Charge and spin interplay in a molecular-dimer-based organic Mott insulator

Physical Review B 2022年第6期106卷 064202-064202页

作者： Natalia Drichko Shiori Sugiura Minoru Yamashita Akira Ueda Shinya Uji Nora Hassan Yoshiya Sunairi Hatsumi Mori Elena I. Zhilyaeva Svetlana Torunova Rimma N. Lyubovskaya Institute for Quantum Matter and Department of Physics and Astronomy Johns Hopkins University Baltimore Maryland 21218 USA The Institute for Solid State Physics The University of Tokyo Kashiwa Chiba 277-8581 Japan National Institute for Materials Science Tsukuba Ibaraki 305-0003 Japan Graduate School of Pure and Applied Sciences University of Tsukuba Tsukuba Ibaraki 305-8577 Japan Department of Chemistry Faculty of Advanced Science and Technology Kumamoto University Kumamoto 860-8555 Japan Institute of Problems of Chemical Physics RAS Chernogolovka Moscow region 142432 Russia

Triangular lattice quasi-two-dimensional Mott insulators based on the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) molecule and its analogies present a possibility to produce exotic phases by coupling charge and spin degrees of freedom. In this work we discuss magnetic properties of one such material, κ-(BEDT-TTF)2Hg(SCN)2Cl, which is found at the border of the phase transition between a Mott insulator into a charge ordered state. Our magnetic susceptibility and cantilever magnetization measurements demonstrate how the charge degree of freedom defines magnetic properties for few different charge phases observed in this material as a function of temperature. Between TCO=30K and TS=24K we observe charge and spin separation due to one-dimensional charge stripes formed in this material below TCO=30K. Below TS=24K charge and spin degrees of freedom demonstrate coupling. Spin-singlet correlations develop below 24 K, however, the melting of charge order below 15 K prevents the spin-singlet-state formation, leaving the system in the inhomogeneous state with charge ordered spin-singlet domains and charge and spin fluctuating ones.

关键词： Antiferromagnetism Charge Magnetic susceptibility Spin liquid

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Optical and Morphological Properties of Highly Photoluminescent 2,4,5-Triphenyl Imidazole: An Experimental and Theoretical Study

SSRN

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SSRN 2023年

作者： Ouedghiri-Idrissi, Ismail El Sofiani, Zouhair Laouid, Amina Talbi, Abdelali Tarbi, Amal Kouari, Youssef El Zawadzka, Anna Laboratory of Materials Energy and Systems Control Faculty of Sciences and Technology Hassan II University of Casablanca B.P 146 Mohammedia Morocco Center for Modern Interdisciplinary Technologies Nicolaus Copernicus University in Toruń Wilenska 4 TorunPL 87-100 Poland Institute of Physics Faculty of Physics Astronomy and Informatics Nicolaus Copernicus University in Torun Grudziadzka 5 TorunPL 87-100 Poland National School of Applied Sciences Engineering Science for Energy Laboratory Chouaib Doukkali University of El Jadida El Jadida Morocco Laboratory of Materials Physics and Subatomics Department of Physics Faculty of Science Ibn Tofail University BP. 242 Kénitra14000 Morocco

The 2,4,5-Triphenyl Imidazole (TPI) were deposited as thin film by means of the physical vapor deposition (PVD) on glass and silicon substrates. On the other hand, three solutions were prepared with different concentrations using Dimethyl Sulfoxide (DMSO) solvent. The physical properties of all samples were investigated using different techniques. For this purpose, the morphology of the thin film was analysed with the atomic force microscopy (AFM) and showed a highly rough surface. The optical properties of the thin film and the solutions were investigated via transmittance, and absorbance, which helped determine a band gap of 3.45 eV. Photoluminescence and thermal photoluminescence spectroscopy showed the high emission of the material in its different aspects. While theoretical simulations of the HOMO-LUMO gap and electronic absorption spectra were acquired using the Density Functional Theory (DFT) approach. © 2023, The Authors. All rights reserved.

关键词： Thin films

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MANTRA: A Graph-based Unified Information Aggregation Foundation for Enhancing Cybersecurity Management in Critical Infrastructures

MANTRA: A Graph-based Unified Information Aggregation Founda...

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Open Identity Summit 2023

作者： Fuxen, Philipp Hackenberg, Rudolf Heinl, Michael P. Ross, Mirko Roßnagel, Heiko Schunck, Christian H. Yahalom, Raphael OTH Regensburg Faculty Computer Science and Mathematics Seybothstr. 2 Regensburg93053 Germany Fraunhofer Institute for Applied and Integrated Security AISEC Department Product Protection and Industrial Security Lichtenbergstr. 11 near Munich Garching85748 Germany asvin GmbH Schulze-Delitzsch-Str. 16 Stuttgart70565 Germany Fraunhofer Institute for Industrial Engineering IAO Group Identity Management Nobelstr. 12 Stuttgart70569 Germany Massachusetts Institute of Technology MIT Sloan School of Management 100 Main Street CambridgeMA02142 United States

ISBN: (纸本)9783885797296

The digitization of almost all sectors of life and the quickly growing complexity of interrelationships between actors in this digital world leads to a dramatically increasing attack surface regarding both direct and also indirect attacks over the supply chain. These supply chain attacks can have different characters, e.g., vulnerabilities and backdoors in hardware and software, illegitimate access by compromised service providers, or trust relationships to suppliers and customers exploited in the course of business email compromise. To address this challenge and create visibility along these supply chains, threat-related data needs to be rapidly exchanged and correlated over organizational borders. The publicly funded project MANTRA is meant to create a secure and resilient framework for real-time exchange of cyberattack patterns and automated, contextualized risk management. The novel graph-based approach provides benefits for automation regarding cybersecurity management, especially when it comes to prioritization of measures for risk reduction and during active defense against cyberattacks. In this paper, we outline MANTRA’s scope, objectives, envisioned scientific approach, and challenges. © 2023 Gesellschaft fur Informatik (GI). All rights reserved.

关键词： Critical infrastructures

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Stackelberg games with dynamic spanning trees

Stackelberg games with dynamic spanning trees

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Chinese Control and Decision Conference, CCDC

作者： Wantong Cheng Min Cheng Qirui Sun Xuanping Fan Yin Li Institute of Digital Economy Management and Service Novgorod State University Novgorod Russia Faculty of Applied Mathematics and Control Processes St.Petersburg State University St.Petersburg Russia Department of Mathematics and Computer Science Yan’an University Yan’an China School of Mathematics Harbin Institute of Technology Harbin China

This article considers a Stackelberg game with dynamic spanning trees. The leader will identify the edges between some of the followers, which will be shown in red. Then the followers will play a two-stage spanning tree game with "shock", which means that after the first stage, a specific follower will leave the game with a certain probability, which depends on the behavior of all the followers in the first stage. The equilibrium of the Stackelberg game with dynamic spanning tree is defined, and correlative conclusions are given.

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Terrain prickliness: Theoretical grounds for high complexity viewsheds 11

Terrain prickliness: Theoretical grounds for high complexity...

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11th International Conference on Geographic Information science - Part II, GIscience 2021

作者： Acharyya, Ankush Jallu, Ramesh K. Löffler, Maarten Meijer, Gert G.T. Saumell, Maria Silveira, Rodrigo I. Staals, Frank Czech Academy of Sciences Institute of Computer Science Prague Czech Republic Deptartment of Information and Computing Sciences Utrecht University Netherlands Academy of ICT and Creative Technologies NHL Stenden University of Applied Sciences Netherlands Department of Theoretical Computer Science Faculty of Information Technology Czech Technical University in Prague Czech Republic Department of Mathematics Universitat Politècnica de Catalunya Barcelona Spain Department of Information and Computing Sciences Utrecht University Netherlands

ISBN: (纸本)9783959772082

An important task in terrain analysis is computing viewsheds. A viewshed is the union of all the parts of the terrain that are visible from a given viewpoint or set of viewpoints. The complexity of a viewshed can vary significantly depending on the terrain topography and the viewpoint position. In this work we study a new topographic attribute, the prickliness, that measures the number of local maxima in a terrain from all possible angles of view. We show that the prickliness effectively captures the potential of terrains to have high complexity viewsheds. We present near-optimal algorithms to compute it for TIN terrains, and efficient approximate algorithms for raster DEMs. We validate the usefulness of the prickliness attribute with experiments in a large set of real terrains. © Ankush Acharyya, Ramesh K. Jallu, Maarten Löffler, Gert G.T. Meijer, Maria Saumell, Rodrigo I. Silveira, and Frank Staals;licensed under Creative Commons License CC-BY 4.0

关键词： Landforms

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Hydrogen is not necessary for superconductivity in topotactically reduced nickelates

arXiv

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arXiv 2024年

作者： Balakrishnan, Purnima P. Segedin, Dan Ferenc Chow, Lin Er Quarterman, P. Muramoto, Shin Surendran, Mythili Patel, Ranjan K. LaBollita, Harrison Pan, Grace A. Song, Qi Zhang, Yang El Baggari, Ismail Jagadish, Koushik Shao, Yu-Tsun Goodge, Berit H. Kourkoutis, Lena F. Middey, Srimanta Botana, Antia S. Ravichandran, Jayakanth Ariando, A. Mundy, Julia A. Grutter, Alexander J. NIST Center for Neutron Research National Institute of Standards and Technology GaithersburgMD20899 United States Department of Physics Harvard University CambridgeMA02138 United States Department of Physics Faculty of Science National University of Singapore Singapore117551 Singapore Material Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Mork Family Department of Chemical Engineering and Materials Science University of Southern California Los AngelesCA90089 United States Core Center for Excellence in Nano Imaging University of Southern California Los AngelesCA90089 United States Department of Physics Indian Institute of Science Bengaluru560012 India Department of Physics Arizona State University TempeAZ85287 United States The Rowland Institute at Harvard Harvard University CambridgeMA02138 United States School of Applied and Engineering Physics Cornell University IthacaNY14853 United States Kavli Institute Cornell for Nanoscale Science IthacaNY14853 United States Ming Hsieh Department of Electrical and Computer Engineering University of Southern California Los AngelesCA90089 United States

A key open question in the study of layered superconducting nickelate films is the role that hydrogen incorporation into the lattice plays in the appearance of the superconducting state. Due to the challenges of stabilizing highly crystalline square planar nickelate films, films are prepared by the deposition of a more stable parent compound which is then transformed into the target phase via a topotactic reaction with a strongly reducing agent such as CaH2. Recent studies, both experimental and theoretical, have introduced the possibility that the incorporation of hydrogen from the reducing agent into the nickelate lattice may be critical for the superconductivity. In this work, we use secondary ion mass spectrometry to examine superconducting La1-xXxNiO2/SrTiO3 (X = Ca and Sr) and Nd6Ni5O12/NdGaO3 films, along with non-superconducting NdNiO2/SrTiO3 and (Nd,Sr)NiO2/SrTiO3. We find no evidence for extensive hydrogen incorporation across a broad range of samples, including both superconducting and non-superconducting films. Theoretical calculations indicate that hydrogen incorporation is broadly energetically unfavorable in these systems, supporting our conclusion that hydrogen incorporation is not generally required to achieve a superconducting state in layered square-planar nickelates. © 2024, CC BY.

关键词： Hydrogen

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ADeepWeeD: An adaptive deep learning framework for weed species classification

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Artificial Intelligence in Agriculture 2025年第4期15卷 590-609页

作者： Rahman, Md Geaur Rahman, Md Anisur Parvez, Mohammad Zavid Patwary, Md Anwarul Kaium Ahamed, Tofael Fleming-Muñoz, David A. Aloteibi, Saad Moni, Mohammad Ali School of Computing Mathematics and Engineering Charles Sturt University Port MacquarieNSW2444 Australia La Trobe Business School La Trobe University MelbourneVIC3086 Australia School of Physics Maths and Computing The University of Western Australia PerthWA6009 Australia Faculty of Life and Environmental Sciences University of Tsukuba Tsukuba Science City Ibaraki305-8572 Japan Computer Science Department Community College King Saud University Riyadh11437 Saudi Arabia AI & Digital Health Technology Artificial Intelligence and Cyber Futures Institute Charles Sturt University BathurstNSW2795 Australia AI & Digital Health Technology Rural Health Research Institute Charles Sturt University OrangeNSW2800 Australia School of IT Washington University of Science and Technology VA United States La Trobe Institute for Sustainable Agriculture and Food La Trobe University MelbourneVIC3086 Australia

Efficient weed management in agricultural fields is essential for attaining optimal crop yields and safeguarding global food security. Every year, farmers worldwide invest significant time, capital, and resources to combat yield losses, approximately USD 75.6 billion, due to weed infestations. Deep Learning (DL) methodologies have been recently implemented to revolutionise agricultural practices, particularly in weed detection and classification. Existing DL-based weed classification techniques, including VGG16 and ResNet50, initially construct a model by implementing the algorithm on a training dataset comprising weed species, subsequently employing the model to identify weed species acquired during training. Given the dynamic nature of crop fields, we argue that existing methods may exhibit suboptimal performance due to two key issues: (i) the unavailability of all training weed species initially, as these species emerge over time, resulting in a progressively expanding training dataset, and (ii) the constrained memory and computational capacity of the system utilised for model development, which hinders the retention of all weed species that manifest over an extended duration. To address the issues, this paper introduces a novel DL-based framework called ADeepWeeD for weed classification that facilitates adaptive (i.e. incremental) learning so that it can handle new weed species by keeping track of historical information. ADeepWeeD is evaluated using two criteria, namely F1-Score and classification accuracy, by comparing its performances against four non-incremental and two incremental state-of-the-art methods on three publicly available large datasets. Our experimental results demonstrate that ADeepWeeD outperforms existing techniques used in this study. We believe that our developed model could be used to develop an automation system for weed identification. The code of the proposed method is available on GitHub: https://***/grahman20/ADeepWeed. © 2025 T

关键词： Weed control

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Toward a generative modeling analysis of CLAS exclusive 2π photoproduction

arXiv

引用

arXiv 2023年

作者： Alghamdi, T. Alanazi, Y. Battaglieri, M. Bibrzycki, L. Golda, A.V. Blin, A.N. Hiller Isupov, E.L. Li, Y. Marsicano, L. Melnitchouk, W. Mokeev, V.I. Montaña, G. Pilloni, A. Sato, N. Szczepaniak, A.P. Vittorini, T. Department of Computer Science Old Dominion University NorfolkVA23529 United States Department of Computer Science College of Computer Science and Information Technology Al-Baha University Al-Baha Alaqiq65779 Saudi Arabia Thomas Jefferson National Accelerator Facility Newport NewsVA23606 United States INFN sezione di Genova GenovaI-16146 Italy AGH University of Krakow Faculty of Physics and Applied Computer Science KrakówPL-30-059 Poland Faculty of Physics Lomonosov Moscow State University Moscow119991 Russia Institute for Theoretical Physics Tübingen University TübingenD-72076 Germany Skobeltsyn Institute of Nuclear Physics Lomonosov Moscow State University Moscow119234 Russia CSSM and CDMPP Department of Physics University of Adelaide 5005 Australia Dipartimento di Scienze Matematiche e Informatiche Scienze Fisiche e Scienze della Terra Università degli Studi di Messina MessinaI-98166 Italy INFN Sezione di Catania CataniaI-95123 Italy Department of Physics Indiana University BloomingtonIN47405 United States Center for Exploration of Energy and Matter Indiana University BloomingtonIN47403 United States Università di Genova GenovaI-16146 Italy

AI-supported algorithms, particularly generative models, have been successfully used in a variety of different contexts. In this work, we demonstrate for the first time that generative adversarial networks (GANs) can be used in high-energy experimental physics to unfold detector effects from multi-particle final states, while preserving correlations between kinematic variables in multidimensional phase space. We perform a full closure test on two-pion photoproduction pseudodata generated with a realistic model in the kinematics of the Jefferson Lab CLAS g11 experiment. The overlap of different reaction mechanisms leading to the same final state associated with the CLAS detector’s nontrivial effects represents an ideal test case for AI-supported analysis. Uncertainty quantification performed via bootstrap provides an estimate of the systematic uncertainty associated with the procedure. The test demonstrates that GANs can reproduce highly correlated multidifferential cross sections even in the presence of detector-induced distortions in the training datasets, and provides a solid basis for applying the framework to real experimental data. Copyright © 2023, The Authors. All rights reserved.

关键词： Generative adversarial networks

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Compound Defects in Halide Perovskites: A First-Principles Study of CsPbI3

arXiv

引用

arXiv 2022年

作者： Xue, Haibo Vicent-Luna, José Manuel Tao, Shuxia Brocks, Geert Materials Simulation & Modelling Department of Applied Physics Eindhoven University of Technology P.O. Box 513 Eindhoven5600MB Netherlands Center for Computational Energy Research Department of Applied Physics Eindhoven University of Technology P.O. Box 513 Eindhoven5600MB Netherlands Computational Materials Science Faculty of Science and Technology MESA+ Institute for Nanotechnology University of Twente P.O. Box 217 Enschede7500AE Netherlands

Lattice defects affect the long-term stability of halide perovskite solar cells. Whereas simple point defects, i.e., atomic interstitials and vacancies, have been studied in great detail, here we focus on compound defects that are more likely to form under crystal growth conditions, such as compound vacancies or interstitials, and antisites. We identify the most prominent defects in the archetype inorganic perovskite CsPbI3, through first-principles density functional theory (DFT) calculations. We find that under equilibrium conditions at room temperature, the antisite of Pb substituting Cs forms in a concentration comparable to those of the most prominent point defects, whereas the other compound defects are negligible. However, under nonequilibrium thermal and operating conditions, other complexes also become as important as the point defects. Those are the Cs substituting Pb antisite, and, to a lesser extent, the compound vacancies of PbI2 or CsPbI3 units, and the I substituting Cs antisite. These compound defects only lead to shallow or inactive charge carrier traps, which testifies to the electronic stability of the halide perovskites. Under operating conditions with a quasi Fermi level very close to the valence band, deeper traps can develop. © 2022, CC BY-NC-SA.

关键词： Lead compounds

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Supertransport of excitons in atomically thin organic semiconductors at the 2D quantum limit

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Light(science & Applications) 2020年第1期9卷 907-919页

作者： Ankur Sharma Linglong Zhang Jonathan O.Tollerud Miheng Dong Yi Zhu Robert Halbich Tobias Vogl Kun Liang Hieu T.Nguyen Fan Wang Shilpa Sanwlani Stuart K.Earl Daniel Macdonald Ping Koy Lam Jeffrey A.Davis Yuerui Lu Research School of Electrical Energy and Materials EngineeringCollege of Engineering and Computer ScienceThe Australian National UniversityCanberraACT 2601Australia Optical Sciences Centre Swinburne University of TechnologyHawthornVIC 3122Australia ARC Centre of Excellence for Future Low-Energy Electronics Technology Australia Centre for Quantum Computation and Communication Technology Department of Quantum ScienceResearch School of Physics and EngineeringThe Australian National UniversityActonACT 2601Australia School of Mechatronical Engineering Beijing Institute of TechnologyBeijing 100081China Institute for Biomedical Materials and Devices(IBMD) Faculty of ScienceUniversity of Technology SydneySydneyNSW 2007Australia

Long-range and fast transport of coherent excitons is important for the development of high-speed excitonic circuits and quantum computing ***,most of these coherent excitons have only been observed in some low-dimensional semiconductors when coupled with cavities,as there are large inhomogeneous broadening and dephasing effects on the transport of excitons in their native states in ***,by confining coherent excitons at the 2D quantum limit,we first observed molecular aggregation-enabled‘supertransport’of excitons in atomically thin two-dimensional(2D)organic semiconductors between coherent states,with a measured high effective exciton diffusion coefficient of ~346.9 cm^(2)/s at room *** value is one to several orders of magnitude higher than the values reported for other organic molecular aggregates and low-dimensional inorganic *** coupling to any optical cavities,the monolayer pentacene sample,a very clean 2D quantum system(~1.2 nm thick)with high crystallinity(J-type aggregation)and minimal interfacial states,showed superradiant emission from Frenkel excitons,which was experimentally confirmed by the temperature-dependent photoluminescence(PL)emission,highly enhanced radiative decay rate,significantly narrowed PL peak width and strongly directional in-plane *** coherence in monolayer pentacene samples was observed to be delocalised over~135 molecules,which is significantly larger than the values(a few molecules)observed for other organic thin *** addition,the supertransport of excitons in monolayer pentacene samples showed highly anisotropic *** results pave the way for the development of future high-speed excitonic circuits,fast OLEDs,and other optoelectronic devices.

关键词： transport quantum coherent

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