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Exploring nonlinear Rashba effect and spin Hall conductivity in Janus MXenes W2COX (X=S, Se, Te)

Physical Review B 2024年第24期110卷 245421-245421页

作者： Arjyama Bordoloi Sobhit Singh Department of Mechanical Engineering University of Rochester Rochester New York 14627 USA Materials Science Program University of Rochester Rochester New York 14627 USA Center for Coherence and Quantum Optics University of Rochester Rochester New York 14627 USA

Rashba spin-orbit coupling (RSOC) facilitates spin manipulation without relying on an external magnetic field, opening up exciting possibilities for advanced spintronic devices. In this paper, we examine the effects of crystal momentum (k) nonlinearity and anisotropy on the conventional Rashba effect, with a particular focus on their impact on the spin Hall conductivity (SHC) in a newly predicted family of 2D Janus materials, W2COX (X=S, Se, Te). Using first-principles density functional theory calculations, we confirm the dynamical and mechanical stability of the studied 2D materials. Strikingly, this materials family exhibits pronounced nonlinear Rashba spin splitting at the Γ point of Brillouin zone near the Fermi level, which cannot be adequately described by the linear-k Rashba model. Therefore, third-order momentum contributions (k3) must be incorporated into the Rashba Hamiltonian. Our analysis reveals that among the studied systems, W2COS exhibits the highest k3 contribution of −45.9 eV Å3, despite having the lowest linear Rashba constant. A detailed analysis of electronic structure reveals topologically nontrivial behavior in these 2D materials, yielding sizable SHC that is primarily governed by the nonlinear Rashba effect. Notably, these materials also exhibit large spin Hall angle (0.018–2.5 at EF), which is comparable to that of in bulk topological insulators like Bi2Se3 and Bi2Te3, and surpassing those in narrow bandgap bulk semiconductors GeTe and SnTe, as well as heavy metals such as Pt. Sizable SHC, large spin Hall angles, and the ability to tune SHC via electric fields without altering the topological properties, rooted in the crystal field splitting, underscore the potential of these materials for spintronic applications.

关键词： Topological insulators

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Eliminating the Bias from Liquid-Junction Potential for Charge-Transfer Analysis

Eliminating the Bias from Liquid-Junction Potential for Char...

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9th Symposium on Organic Semiconductor materials, Devices, and Processing, held at the 245th ECS Meeting

作者： O’Mari, J.O. Vullev, V.I. Department of Bioengineering University of California RiversideCA92521 United States Department of Chemistry University of California RiversideCA92521 United States Department of Biochemistry University of California RiversideCA92521 United States Materials Science and Engineering Program University of California RiversideCA92521 United States

ISBN: (纸本)9781623326784

Liquid junctions in electrochemical cells introduce potentials that can strongly affect measurements. Such liquid-junction potential errors can exceed 100 mV. In the analysis of charge-transfer thermodynamics, error differences of 100 mV can have substantial impact on the interpretations. Discussion herein outlines an approach for eliminating the effects of liquid-junction potentials from charge-transfer analysis. © The Electrochemical Society.

关键词： Charge transfer

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Review Integration of smartphone technology and artificial intelligence for advanced ophthalmic care:A systematic review

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Advances in Ophthalmology Practice and Research 2024年第3期4卷 120-127页

作者： Kai Jin Yingyu Li Hongkang Wu Yih Chung Tham Victor Koh Yitian Zhao Ryo Kawasaki Andrzej Grzybowski Juan Ye Eye Center The Second Affiliated Hospital of Zhejiang University School of MedicineZhejiang Provincial Key Laboratory of OphthalmologyZhejiang Provincial Clinical Research Center for Eye DiseasesZhejiang Provincial Engineering Institute on Eye DiseasesHangzhouChina Centre for Innovation and Precision Eye Health National University of SingaporeSingapore Department of Ophthalmology National University of SingaporeSingapore Singapore Eye Research Institute Singapore National Eye CentreSingapore Ophthalmology and Visual Science Academic Clinical Program Duke-NUS Medical SchoolSingapore Cixi Institute of Biomedical Engineering Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingboChina Ningbo Eye Hospital NingboChina Zhejiang International Scientific and Technological Cooperative Base of Biomedical Materials and Technology Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingboChina Zhejiang Engineering Research Center for Biomedical Materials Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingboChina Division of Public Health Department of Social MedicineGraduate School of MedicineOsaka UniversityOsakaJapan Artificial Intelligence Center for Medical Research and Application Osaka University HospitalOsakaJapan Institute for Research in Ophthalmology Foundation for Ophthalmology DevelopmentPoznanPoland

Background:The convergence of smartphone technology and artificial intelligence(AI)has revolutionized the landscape of ophthalmic care,offering unprecedented opportunities for diagnosis,monitoring,and management of ocular ***,there is a lack of systematic studies on discussing the integration of smart-phone and AI in this *** text:This review includes 52 studies,and explores the integration of smartphones and AI in ophthalmology,delineating its collective impact on screening methodologies,disease detection,telemedicine initiatives,and patient *** collective findings from the curated studies indicate promising performance of the smartphone-based AI screening for various ocular diseases which encompass major retinal diseases,glaucoma,cataract,visual impairment in children and ocular surface ***,the utilization of smartphone-based imaging modalities,coupled with AI algorithms,is able to provide timely,efficient and cost-effective screening for ocular *** modality can also facilitate patient self-monitoring,remote patient monitoring and enhancing accessibility to eye care services,particularly in underserved *** involving data pri-vacy,algorithm validation,regulatory frameworks and issues of trust are still need to be ***,evaluation on real-world implementation is imperative as well,and real-world prospective studies are currently ***:Smartphone ocular imaging merged with AI enables earlier,precise diagnoses,personalized treat-ments,and enhanced service accessibility in eye *** is crucial to navigate ethical and data security challenges while responsibly leveraging these innovations,promising a potential revolution in care access and global eye health equity.

关键词： Artificial intelligence Smartphone imaging Ophthalmology Telemedicine Ocular disease management

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Effect of an antiferromagnetic order on tailoring Dzyaloshinskii- Moriya interaction in Pt/Co/IrMn trilayer

Effect of an antiferromagnetic order on tailoring Dzyaloshin...

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Magnetic Conference - Short Papers (INTERMAG Short Papers), IEEE International

作者： Sheng-Huai Chen Chao-Yao Yang Chih-Huang Lai Department of Materials Science and Engineering National Tsing Hua University Hsinchu Taiwan Department of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu Taiwan Undergraduate Degree Program of Systems Engineering and Technology National Yang Ming Chiao Tung University Hsinchu Taiwan

Antiferromagnet (AFM) has currently participated in the spin-orbit torque (SOT) magnetoresistive random access memory (MRAM) technolopgy due to its great potential to be applied to the field-free SOT switching and promote the thermal stability of MRAM. However, effect of the introduction of AFM into the basic structure of SOT-MRAM composed of a heavy metal/ferromagnet (FM) bilayer was still not comprehensively understood. This work reports the effect of how an antiferromagnetic (AFM) order modifies the strength of Dzyaloshinskii-Moriya interaction (DMI) in a heavy metal (Pt)/FM (Co)/AFM (IrMn) trilayer, studied by SOT switching and loop-shift method. Increasing the AFM order reflected on exchange bias (H ex ) through increasing the thickness of IrMn appears to significantly reduce the DMI strength of the trilayer, which leads to the reduction of the external field for yielding a complete SOT switching. The reduced DMI strength may ascribe to the Hex-hosted uni-directional anisotropy suppressing the neighboring spin canting in the FM layer. This stabilization for the magnetic moments via the H ex -hosted uni-directional anisotropy also improved the stability of SOT switching on the random read/write characterization, in which the strong AFM order would promote the memristivity for neuromorphic application and the weak AFM order would give rise to the stochasticity for the purpose of physically unclonable functionality. This work demonstrates the significance of an intrinsic tuning over the AFM order would serve as a switch to turn the SOT device into a stochastic/memristive cell to bridge probabilistic and neuromorphic computing.

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FIP-GNN: Graph neural networks for scalable prediction of grain-level fatigue indicator parameters

arXiv

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arXiv 2024年

作者： Sim, Gyu-Jang Lee, Myoung-Gyu Latypov, Marat I. Department of Materials Science and Engineering & RIAM Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Department of Materials Science and Engineering University of Arizona TucsonAZ85721 United States Graduate Interdisciplinary Program in Applied Mathematics University of Arizona TucsonAZ85721 United States

High-cycle fatigue is a critical performance metric of structural alloys for many applications. The high cost, time, and labor involved in experimental fatigue testing call for efficient and accurate computer models of fatigue life. We present FIP-GNN – a graph neural network for polycrystals that (i) predicts fatigue indicator parameters as grain-level inelastic responses to cyclic loading quantifying the local driving force for crack initiation and (ii) generalizes these predictions to large microstructure volume elements with grain populations well beyond those used in training. These advances can make significant contributions to statistically rigorous and computationally efficient modeling of high-cycle fatigue – a long-standing challenge in the field. © 2024, CC BY.

关键词： High-cycle fatigue

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materials and devices for flexible and stretchable photodetectors and light-emitting diodes

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Nano Research 2021年第9期14卷 2919-2937页

作者： Jun-Kyul Song Min Sung Kim Seungwon Yoo Ja Hoon Koo Dae-Hyeong Kim Center for Nanoparticle Research Institute for Basic Science(IBS)Seoul 08826Republic of Korea School of Chemical and Biological Engineering and Institute of Chemical Processes Seoul National UniversitySeoul 08826Republic of Korea Interdisciplinary Program for Bioengineering Seoul National UniversitySeoul 08826Republic of Korea Department of Materials Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea

Recently,significant efforts have been directed at overcoming the limitations of conventional rigid optoelectronic devices,particularly their poor mechanical stability under bending,folding,and stretching *** of major approaches for rendering optoelectronic devices mechanically deformable is to replace the conventional electronic/optoelectronic materials with functional nanomaterials or organic materials that are intrinsically flexible/***,advanced device designs and unconventional fabrication methods have also contributed to the development of soft optoelectronic ***,new devices such as bio-inspired curved image sensors,wearable light emitting devices,and deformable bio-integrated optoelectronic devices have been *** this review,recent progress in the development of soft optoelectronic materials and devices is ***,various materials such as nanomaterials,organic materials,and their hybrids that are suitable for developing deformable photodetectors,are ***,the nanomaterials and organic/polymeric materials that are applicable in deformable light-emitting diodes are ***,representative system-level applications of flexible and stretchable photodetectors and light-emitting diodes are reviewed,and future prospects are discussed.

关键词： nanomaterial organic material photodetector light-emitting diode flexible optoelectronics stretchable optoelectronics

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Low voltage graphene interface engineered organic ferroelectric tunnel junction devices

arXiv

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arXiv 2025年

作者： Natani, S. Khajanji, P. Cheng, L. Eshraghi, K. Zhang, Z. Shipley, W. Tao, A. Bandaru, P.R. Department of Mechanical Engineering University of California San Diego La Jolla CA United States Program in Materials Science University of California San Diego La Jolla CA United States Applied Materials Santa ClaraCA United States

It has been indicated 1 that the path forward for the widespread usage of ferroelectric (FE) materials may be considerably facilitated through the reduction of programming voltages to on-chip logic compatible values o... 详细信息

关键词： Ferroelectric devices

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Experimental and theoretical study of the phase transition between perovskite polytypes of BaPtO3 under high pressure and temperature

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Physical Review B 2024年第9期110卷 094108页

作者： Hongze Li Yanyao Zhang Nisha Geng Jiaming He Stella Chariton Vitali Prakapenka Carlos Alberto López José Antonio Alonso Eva Zurek Jung-Fu Lin Jianshi Zhou Materials Science and Engineering Program Walker Department of Mechanical Engineering Department of Earth and Planetary Sciences Jackson School of Geosciences Department of Chemistry Center for Advanced Radiation Sources The INTEQUI (UNSL-CONICET) and Facultad de Química Bioquímica y Farmacia CSIC Cantoblanco 28049 Madrid Spain

APtO3 (A = Ca, Sr, Ba) is a unique family in the complex transition metal oxides with the AMO3 formula. Most 3d and 4dAMO3 compounds adopt the perovskite structure when synthesized at ambient or high pressure; however, APtO3 perovskites have not been reported, even if their geometric tolerance factor, t, falls in the range suitable for the perovskite structure. Herein, we studied the crystal structures of BaPtO3 by performing the in situ x-ray diffraction over a broad range in the pressure (P)–temperature (T) phase diagram. The perovskite BaPtO3 can be stabilized at P>35 GPa and T>1100 K. A variety of crystal structures, including the perovskite structure and its hexagonal polytypes, observed in the P–T phase diagram of BaPtO3 match the structure predictions from the first-principles calculations reasonably well.

关键词： High-pressure studies Structural phase transition Perovskites Density functional calculations Pressure techniques X-ray diffraction

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Computational Reverse engineering Analysis of Scattering Experiments Method for Interpretation of 2D Small-Angle Scattering Profiles (CREASE-2D)

arXiv

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arXiv 2024年

作者： Akepati, Sri Vishnuvardhan Reddy Gupta, Nitant Jayaraman, Arthi Data Science Program University of Delaware NewarkDE19716 United States Department of Chemical and Biomolecular Engineering University of Delaware NewarkDE19716 United States Department of Materials Science and Engineering University of Delaware NewarkDE19716 United States

Characterization of structural diversity within soft materials is key for engineering new materials for various applications. Small-angle scattering (SAS) is a widely used characterization technique that provides structural information in soft materials at varying length scales (nm to microns). The typical output of a SAS measurement is the scattered intensity I(q) as a function of q, the scattered wavevector with respect to the incident wave. The scattered wavevector q is represented by its magnitude |q| ≡ q (in inverse distance units) and azimuthal angle θ. While structures with isotropic spatial arrangement can be interpreted by analysis of azimuthally averaged one-dimensional (1D) scattering profile, to understand anisotropic spatial arrangements, one has to interpret the two-dimensional (2D) scattering profile, I(q, θ). Manual interpretation of such 2D profiles is complicated, and usually involves fitting of approximate analytical models to azimuthally averaged sections of the 2D profile. In this paper, we present a new method called CREASE-2D that interprets, without any azimuthal averaging, the entire 2D scattering profile, I(q, θ), and outputs the relevant structural features. CREASE-2D is an extension of the ‘computational reverse engineering analysis for scatting experiments’ (CREASE) method that has been used successfully to analyze 1D SAS profiles for a variety of soft materials. CREASE uses a genetic algorithm for optimization and an artificial neural network (ANN) as the surrogate machine learning (ML) model for fast calculation of 1D ‘computed’ scattering profiles that are then compared to the experimental 1D scattering profiles in the optimization. CREASE-2D goes beyond CREASE by enabling analysis of 2D scattering profiles, which is far more challenging to interpret than the azimuthally averaged 1D profiles. Further, we use XGBoost as the surrogate ML model in CREASE-2D, in place of ANNs, to relate structural features to the I(q, θ) profile. The CREA

关键词： Inverse problems

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Rational effect of CuSe2phase with octadecyl amine modified reduced graphene composite for dual-mode sensing of environmental hazardous anthelminthic drug in aquatic and biological samples

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Journal of Environmental Chemical engineering 2023年第1期11卷

作者： Hwa, Kuo-Yuan Ganguly, Anindita Santhan, Aravindan Department of Molecular Science and Engineering National Taipei University of Technology Taipei Taiwan International Graduate Program in Energy and Optoelectronic Materials National Taipei University of Technology Taipei Taiwan

The increasing usage of antihelminthic drug mebendazole (MEB) in humans and livestock poses serious threat and is considered a significant environmental pollutant. Hence, monitoring the MEB residues in environmental samples, and human fluids is essential to decrease the ecological risk and improve the health of humans. In this work, copper selenide (CuSe2) nano/microspheres were hydrothermally synthesized and ultrasonically treated with rGO surface modified with ODA alkyl amine (rGO-ODA). The optical, structural, morphological, and functional analysis were performed which revealed the CuSe2 in marcasite phase, orthorhombic pattern with Pnnm space group, and substantial composite formation. The morphological studies revealed sphere structure of the CuSe2 and wrinkled sheets of rGO-ODA. A sensor that detects MEB using the cyclic voltammetry (CV), differential pulse voltammetry (DPV) and UV-Vis absorbance techniques was developed. For DPV analysis, the sensor exhibited a very low value for limit of detection 13.55 nM and a sensitivity of 9.4871 μA M-1cm-2. For UV-Vis, the sensor demonstrated a very low limit of detection 22.3 nM. The use of this sensor was validated in real-time analysis with aquatic and biological real samples. The results suggested > 90% of analyte recovery and enhanced efficiency for MEB detection with a potential for commercialization in future. © 2022 Elsevier Ltd.

关键词： Copper compounds

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