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Quantum Criticality with Emergent Symmetry in the Extended Shastry-Sutherland Model

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arXiv 2023年

作者： Liu, Wen-Yuan Zhang, Xiao-Tian Wang, Zhe Gong, Shou-Shu Chen, Wei-Qiang Gu, Zheng-Cheng Division of Chemistry and Chemical Engineering California Institute of Technology PasadenaCA91125 United States School of Physics Beihang University Beijing100191 China Department of Physics Beijing Normal University Beijing100875 China School of Physical Sciences Great Bay University Dongguan523000 China Great Bay Institute for Advanced Study Dongguan523000 China Institute for Quantum Science and Engineering Department of Physics Southern University of Science and Technology Shenzhen518055 China Shenzhen Key Laboratory of Advanced Quantum Functional Materials and Devices Southern University of Science and Technology Shenzhen518055 China Department of Physics The Chinese University of Hong Kong New Territories Shatin Hong Kong

Motivated by the novel phenomena observed in the layered material SrCu2(BO3)2, the Shastry-Sutherland model (SSM) has been extensively studied as the minimal model for SrCu2(BO3)2. However, the nature of its quantum phase transition from the plaquette valence-bond solid (PVBS) to antiferromagnetic (AFM) phase is under fierce debate, posing a challenge to understand the underlying quantum criticality. Via the state-of-the-art tensor network simulations, we study the ground state of the SSM on large-scale size up to 20 × 20 sites. We identify the continuous transition nature accompanied by an emergent O(4) symmetry between the PVBS and AFM phase, which strongly suggests a deconfined quantum critical point (DQCP). Furthermore, we map out the phase diagram of an extended SSM that can be continuously tuned to the SSM, which demonstrates the same DQCP phenomena along a whole critical line. Our results indicate a compelling scenario for understanding the origin of the proposed proximate DQCP in recent experiments of SrCu2(BO3)2 Copyright © 2023, The Authors. All rights reserved.

关键词： Ground state

Serendipitous Synthesis and Ultrahigh Capacitance of Protonated C3n5 Nanosheets in Symmetric Super Capacitors

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SSRN

SSRN 2023年

作者： Pitchaimuthu, Sudhagar Subbiah, Mahalakshmi Muthusamy, Kasiviswanathan Sundaramurthy, Anandhakumar Venkatachalam, Sabarinathan Saravanan, Nishakavya Srinivasan, Nagarajan Department of Renewable Energy Science Manonmaniam Sundaranar University Tirunelveli India Laboratory of Electrochemical Interfaces Department of Chemistry Manonmaniam Sundaranar University Tirunelveli India Biomaterials Research Laboratory Department of Chemical Engineering SRM Institute of Science and Technology Tamil Nadu Kattankulathur603203 India Department of Physics Manonmaniam Sundaranar University Tirunelveli India Department of Physics and Nanotechnology SRM Institute of Science and Technology Tamil Nadu Kattankulathur603203 India Institute of Mechanical Processing and Energy Engineering School of Engineering and Physical Sciences Heriot-Watt University United Kingdom

Carbon nitride has recently transpired as the inevitable two-dimensional polymeric layered material tailoring in various fields due to its chemical stability and tunable band gap. Herein, the facile & scalable synthesis through the thermal polymerization of 3-amino-1, 2, 4-triazole precursor serendipitously forms another stable allotrope C3N5. An ultrathin C3N5 nanosheet was fortuitously achieved through the protonation process. Because of its electron-rich character and delamination of the stacked interlayer, the hydrochloric acid-treated C3N5 is endowed with ultra high capacitance and impressive cyclic stability outperforming the other carbon & metal oxides based material. As a result, it attains a high specific capacitance of 875 F/g, which is eight-fold higher than the pristine C3N5 and other acids treated C3N5. It also displayed excelled cyclic stability of 100% over 10,000 cycles. Furthermore, the fabricated symmetric device demonstrated remarkable power and energy densities of 72 W/kg and 19 Wh/kg, respectively, with excellent cyclic stability of 90% over 5000 cycles. The rate capability & improved capacitance of hydrochloric acid-treated C3N5 is due to the effective construction of charged ions from synergistically interplayed effect of segregated stacked interlayer with their electron rich nitrogen moieties. © 2023, The Authors. All rights reserved.

关键词： Nanosheets

Phonon-mediated Migdal effect in semiconductor detectors

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arXiv 2022年

作者： Liang, Zheng-Liang Mo, Chongjie Zheng, Fawei Zhang, Ping College of Mathematics and Physics Beijing University of Chemical Technology Beijing100029 China Beijing Computational Science Research Center Beijing100193 China School of Physics Beijing Institute of Technology Beijing100081 China School of Physics and Physical Engineering Qufu Normal University Qufu273165 China Institute of Applied Physics and Computational Mathematics Beijing100088 China

The Migdal effect inside detectors provides a new possibility of probing the sub-GeV dark matter (DM) particles. While there has been well-established methods treating the Migdal effect in isolated atoms, a coherent and complete description of the valence electrons in semiconductor is still absent. The bremstrahlung-like approach is a promising attempt, but it turns invalid for DM masses below a few tens of MeV. In this paper, we lay out a framework where phonon is chosen as an effective degree of freedom to describe the Migdal effect in semiconductors. In this picture, a valence electron is excited to the conduction state via exchange of a virtual phonon, accompanied by a multi-phonon process triggered by an incident DM particle. Under the incoherent approximation, it turns out that this approach can effectively push the sensitivities of the semiconductor targets further down to the MeV DM mass region. Copyright © 2022, The Authors. All rights reserved.

关键词： Excited states

Length and conjugation-controlled memristive functions of metallopolymer monolayers

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science China Materials 2025年第4期68卷 998-1003页

作者： Chang Wei Ziming Zhou Shumu Li Yuan Li Wenjing Hong Xuan Pang Mao Li State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China University of Science and Technology of China Hefei230026China Key Laboratory of Analytical Chemistry for Living Biosystems Institute of ChemistryChinese Academy of SciencesBeijing Mass Spectrum CenterBeijing100190China Key Laboratory of Organic Optoelectronics and Molecular Engineering Department of ChemistryTsinghua UniversityBeijing100084China State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen361005China State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun130012China

Solid-phase synthesis as a bottom-up strategy may be a superior way to integrate sophisticated functions into an ultrathin film for miniaturized ***,the sluggish reaction dynamics at the solid-liquid interface have been a great ***,we present four electrochemical reactions for rapidly synthesizing length and conjugation-controlled metallopolymer *** electrosynthesis requires self-assembled monolayers as templates as a prerequisite to predefine the growth and orientation of the *** involves a pair of redox reactions:the oxidation self-coupling of pyrene or carbazole,and the reduction self-coupling of the alkyne or vinyl,*** can form conjugation-controlled connections of monomers and provide different lengths of *** resulting metallopolymer monolayers show similar values in thickness and theoretical molecular length,indicating that these metallopolymers stand almost vertically and uniaxially on electrodes with minimum polymer *** crystalline monolayers exhibit both high modulus and conductance while presenting the memristive functions with optical and electrical binary responses as a function of the length and conjugation-controlled metallopolymer *** is highly anticipated that critical factors including reproducibility,speed,and operational simplicity with the robust design of various molecular junctions will enable rapid automated synthesis of two-dimensional semiconductors for integrated and miniaturized optoelectric devices.

关键词： solid-phase synthesis solid-phase electrosynthesis polymer monolayer polymer brush memristor

Amino Modulation on the Surface of Graphitic Carbon Nitride for Enhanced Photocatalytic Hydrogen Production

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SSRN

SSRN 2023年

作者： Yang, Heng Zhang, Awang Ding, Jianjun Hu, Rui Gong, Yi Li, Xiangyang Chen, Lin Chen, Peng Tian, Xingyou School of Chemistry and Chemical Engineering Anhui University Hefei230601 China Key Laboratory of Photovoltaic and Energy Conservation Materials Institute of Solid State Physics Hefei Institutes of Physical Science Chinese Academy of Sciences Anhui Hefei230031 China Anhui Institute of Innovation for Industrial Technology Anhui Hefei230088 China

Bulk graphitic carbon nitride suffers from the disadvantages of a small specific surface area, high recombination of photogenerated charge carriers, and low surface catalytic activity, which greatly limits its application in catalytic reactions. In this study, amino groups were incorporated into the structure of bulk carbon nitride by solvothermal treatment facilitated by an optimal content of urea. The experimental data suggested that the introduced amino groups modified the morphology and structure of bulk carbon nitride, and improved the charge separation. More importantly, the enriched amino groups promoted the formation of nitrogen-rich carbon nitride, which was conducive to the deposition and reduction of ultrafine Pt nanoparticles. The resulting Pt/g-C3N4 composite exhibited excellent visible-light-driven activity for hydrogen evolution. A high rate of 410.51 μmol h-1 with an apparent quantum efficiency of 17% was achieved, which is 85.5 times higher than that of bulk carbon nitride. The effective approach developed in this work could provide new insights into the design of bulk carbon nitride with enhanced performance. © 2023, The Authors. All rights reserved.

关键词： Urea

Highly aligned lithiophilic electrospun nanofiber membrane for the multiscale suppression of Li dendrite growth

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escience 2022年第6期2卷 655-665页

作者： Jianan Wang Qianyue Ma Shiyi Sun Kai Yang Qiong Cai Emilia Olsson Xin Chen Ze Wang Amr MAbdelkader Yinshi Li Wei Yan Shujiang Ding Kai Xi Department of Environmental Science and Engineering Xi'an Key Laboratory of Solid Waste Recycling and Resource RecoverySchool of Energy and Power EngineeringXi'an Jiaotong UniversityXi'an 710049China Department of Applied Chemistry School of ChemistryUniversity Engineering Research Center of Energy Storage Materials and Chemistry of Shaanxi ProvinceState Key Laboratory for Electrical Insulation and Power EquipmentXi'an Jiaotong UniversityXi'an 710049China Department of Chemical and Process Engineering Faculty of Engineering and Physical SciencesAdvanced Technology InstituteUniversity of SurreyGuildford GU27XHSurreyEnglandUK Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi710049China Advanced Research Center for Nanolithography Science Park 1061098 XGAmsterdamthe Netherlands Institute of Physics and Institute for Theoretical Physics University of AmsterdamPostbus 944851090 GLAmsterdamthe Netherlands Faculty of Science and Technology Bournemouth UniversityTalbot CampusFern BarrowPooleEnglandBH125BBUK

Using inorganic fibrous membranes as protective layers has yielded success in suppressing dendrite ***,conventional fibrous membranes usually have large voids and low affinity for Li,promoting inhomogeneous charge distribution and allowing some dendrites to ***,we introduce a highly aligned TiO_(2)/SiO_(2)(A-TS)electrospun nanofiber membrane as a protective layer for the Li metal *** A-TS membrane is fabricated by a custom-made electrospinning system with an automatic fiber alignment collector that allows control of the fibers’*** the scale of the individual fibers,their high binding energies with Li can attract more“dead”Li by reacting with the SiO_(2) component of the composite,avoiding uncontrollable deposition on the metal *** the membrane scale,these highly ordered structures achieve homogeneous contact and charge distribution on the Li metal surface,leaving no vulnerable areas to nucleate dendrite ***,the excellent mechanical and thermal stability properties of the A-TS membrane prevent any potential puncturing by dendrites or thermal runaway in a ***,an A-TS@Li anode exhibits stable cycling performance when used in both Li-S and Li-NCM811 batteries,highlighting significant reference values for the future design and development of high-energy-density metal-based battery systems.

关键词： Aligned structure Protective layerLi dendrite Lithium sulfur battery Li metal battery

Structurally reconfigurable designer RNA structures for nanomachines

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Biophysics Reports 2021年第1期7卷 21-34页

作者： Kai Jiao Yaya Hao Fei Wang Lihua Wang Chunhai Fan Jiang Li Division of Physical Biology CAS Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied Physics Chinese Academy of Sciences The Interdisciplinary Research Center Shanghai Synchrotron Radiation Facility Zhangjiang Laboratory Shang-hai Advanced Research Institute Chinese Academy of Sciences University of Chinese Academy of Sciences School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative Molecules and National Center for Translational Medicine Shanghai Jiao Tong University

Structurally reconfigurable RNA structures enable dynamic transitions of the functional states in response to diverse molecular stimuli, which are fundamental in genetic and epigenetic regulations. Inspired by nature, rationally designed RNA structures with responsively reconfigurable motifs have been developed to serve as switchable components for building engineered nanomachines, which hold promise in synthetic biological applications. In this review, we summarize recent progress in the design, synthesis, and integration of engineered reconfigurable RNA structures for nanomachines. We highlight recent examples of their targeted applications such as biocomputing and smart *** also discuss their advantages, challenges as well as possible solutions. We further provide an outlook of their potential in future synthetic biology.

关键词： Structure Reconfiguration Theranostics RNA nanomachine Biocomputing

Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model

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arXiv 2024年

作者： Nguyen, Haimi Ng, Nathan Lindoy, Lachlan P. Park, Gunhee Millis, Andrew J. Chan, Garnet Kin-Lic Reichman, David R. Department of Chemistry Columbia University NY10027 United States National Physical Laboratory TeddingtonTW11 0LW United Kingdom Division of Engineering and Applied Science California Institute of Technology PasadenaCA91125 United States Department of Physics Columbia University NY10027 United States Center for Computational Quantum Physics Flatiron Institute New YorkNY10010 United States Division of Chemistry and Chemical Engineering California Institute of Technology PasadenaCA91125 United States

We investigate the application of matrix product state (MPS) representations of the influence functionals (IF) for the calculation of real-time equilibrium correlation functions in open quantum systems. Focusing specifically on the unbiased spin-boson model, we explore the use of IF-MPSs for complex time propagation, as well as IF-MPSs for constructing correlation functions in the steady state. We examine three different IF approaches: one based on the Kadanoff-Baym contour targeting correlation functions at all times, one based on a complex contour targeting the correlation function at a single time, and a steady state formulation which avoids imaginary or complex times, while providing access to correlation functions at all times. We show that within the IF language, the steady state formulation provides a powerful approach to evaluate equilibrium correlation functions. Copyright © 2024, The Authors. All rights reserved.

关键词： Real time systems

Advancing Nonadiabatic Molecular Dynamics Simulations for Solids: Achieving Supreme Accuracy and Efficiency with Machine Learning

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arXiv 2024年

作者： Zhang, Changwei Zhong, Yang Tao, Zhi-Guo Qing, Xinming Shang, Honghui Lan, Zhenggang Prezhdo, Oleg V. Gong, Xin-Gao Chu, Weibin Xiang, Hongjun Key Laboratory of Computational Physical Sciences Ministry of Education Institute of Computational Physical Sciences State Key Laboratory of Surface Physics Department of Physics Fudan University Shanghai200433 China Key Laboratory of Precision and Intelligent Chemistry Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of China Anhui Hefei230026 China Environmental Research Institute Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety MOE Key Laboratory of Environmental Theoretical Chemistry South China Normal University Guangdong Guangzhou510006 China Department of Chemistry Department of Physics & Astronomy University of Southern California Los AngelesCA90089 United States

Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N2AMD, which employs an E(3)-equivariant deep neural Hamiltonian to boost the accuracy and efficiency of NAMD simulations. The preservation of Euclidean symmetry of Hamiltonian enables N2AMD to achieve state-of-the-art performance. Distinct from conventional machine learning methods that predict key quantities in NAMD, N2AMD computes these quantities directly with a deep neural Hamiltonian, ensuring supreme accuracy, efficiency, and consistency. Furthermore, N2AMD demonstrates excellent generalizability and enables seamless integration with advanced NAMD techniques and infrastructures. Taking several extensively investigated semiconductors as the prototypical system, we successfully simulate carrier recombination in both pristine and defective systems at large scales where conventional NAMD often significantly underestimates or even qualitatively incorrectly predicts lifetimes. This framework not only boosts the efficiency and precision of NAMD simulations but also opens new avenues to advance materials research. © 2024, CC BY-NC-SA.

关键词： Carrier lifetime