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Colour routing with single silver nanorods

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Light(Science & Applications) 2019年第1期8卷 851-861页

作者： Xiaolu Zhuo Hang Kuen Yip Ximin Cui Jianfang Wang hai-qing lin Department of Physics The Chinese University of Hong KongShatinHong Kong SARChina Beijing Computational Science Research Center Beijing 100193China

Elongated plasmonic nanoparticles have been extensively explored over the past two ***,in comparison with the dipolar plasmon mode that has attracted the most interest,much less attention has been paid to multipolar plasmon modes because they are usually thought to be“dark modes”,which are unable to interact with farfield light ***,we report on an intriguing far-field scattering phenomenon,colour routing,based on longitudinal multipolar plasmon modes supported by high-aspect-ratio single Ag *** advantage of the distinct far-field behaviours of the odd and even multipolar plasmon modes,we demonstrate two types of colour routing,where the incident white light can be scattered into several beams with different colours as well as different propagation *** of the narrow linewidths of the longitudinal multipolar plasmon modes,there is little spectral overlap between the adjacent peaks,giving rise to outstanding colour *** experimental results and theoretical model provide a simple yet effective picture for understanding the far-field behaviour of the longitudinal multipolar plasmon modes and the resultant colour routing ***,the outstanding colour routing capability of the high-aspect-ratio Ag nanorods enables nanoscale optical components with simple geometries for controlling the propagation of light below the diffraction limit of light.

关键词： scattering routing silver

Quantum dynamics of Gaudin magnets

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Communications in Theoretical Physics 2022年第9期74卷 39-48页

作者： Wen-Bin He Stefano Chesi hai-qing lin Xi-Wen Guan Beijing Computational Science Research Center Beijing 100193China State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and MathematicsAPMChinese Academy of SciencesWuhan 430071China The Abdus Salam International Center for Theoretical Physics Strada Costiera 11I-34151 TriesteItaly Department of Physics Beijing Normal UniversityBeijing 100875China NSFC-SPTP Peng Huanwu Center for Fundamental Theory Xi’an 710127China Department of Theoretical Physics Research School of Physics and EngineeringAustralian National UniversityCanberra ACT 0200Australia

Quantum dynamics of many-body systems is a fascinating and significant subject for both theory and *** question of how an isolated many-body system evolves to its steady state after a sudden perturbation or quench still remains *** this paper,using the Bethe ansatz wave function,we study the quantum dynamics of an inhomogeneous Gaudin *** derive explicit analytical expressions for various local dynamic quantities with an arbitrary number of flipped bath spins,such as:the spin distribution function,the spin-spin correlation function,and the Loschmidt *** also numerically study the relaxation behavior of these dynamic properties,gaining considerable insight into coherence and entanglement between the central spin and the *** particular,we find that the spin-spin correlations relax to their steady value via a nearly logarithmic scaling,whereas the Loschmidt echo shows an exponential relaxation to its steady *** results advance the understanding of relaxation dynamics and quantum correlations of long-range interacting models of the Gaudin type.

关键词： Gaudin magnets central spin model Bethe ansatz spin polarization spin-spin correlation Loschmidt echo

Structure, charge transfer, and superconductivity of M-doped phenanthrene(M = Al, Ga, and In): A comparative study of K-doped cases

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Science China(Physics,Mechanics & Astronomy) 2019年第5期62卷 107-113页

作者： hai-Yan Lv Guo-Hua Zhong Ming Chen Chun-Lei Yang Xiao-Jia Chen hai-qing lin Shenzhen Institutes of Advanced Technology Chinese Academy of Sciences Nano Science and Technology Institute University of Science and Technology of China Beijing Computational Science Research Center Center for High Pressure Science and Technology Advanced Research

Aromatic hydrocarbons doped with K have been shown to be potential high-temperature superconductors. To investigate the doping effects of trivalent metals(Al, Ga, and In) that have a smaller radii than K, we studied the crystal structure, stability,charge transfer, band structure, and superconductivity of trivalent metal-doped phenanthrene via first-principles *** with Al/Ga/In considerably differs from doping with K and cannot be simply regarded as a linear developmental change in the structural and electronic characteristics caused by a change in the valence electron numbers. Al/Ga/In atoms are difficult to dope into the intralayer region, and the charge transfer is close to zero, which is far less than the effect of K doping. We found that the metallization of the Al/Ga/In-doped system originates from the formation of gap states instead of charge transfer. The weak superconductivity obtained in the Al/Ga/In-doped system is also different from the K-doped system. These results are helpful in terms of understanding the structure and superconductivity of metal-doped aromatic superconductors.

关键词： phenanthrene aromatic hydrocarbons trivalent metals charge transfer superconductivity

Structural phase transition and metallization in compressed SrC_2

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Chinese Science Bulletin 2014年第36期59卷 5269-5271页

作者： Yan-ling Li Rajeev Ahuja hai-qing lin School of Physics and Electronic Engineering Jiangsu Normal University Condensed Matter Theory Group Department of Physics and Astronomy Uppsala University 751 20 Uppsala Sweden Beijing Computational Science Research Center

The structural, dynamical, and electronic properties of compressed Sr C2 were systematically investigated up to 200 GPa by using ab initio method. Three new phases are obtained by means of evolutionary algorithm. The confirmed most stable structure has C2/c symmetry at zero pressure, which transforms into an orthorhombic Cmcm phase at 4.5 GPa, followed by another orthorhombic Immm phase, which is stabilized at wide pressure range of 21.5–123.5 GPa, and then transformed into Mg B2-type phase(space group, P6/mmm). Although Sr C2 has similar structural transformation to that of compressed Ca C2, Sr C2 holds small electron–phonon coupling,which leads to its low superconducting critical temperature(only 1.8 K).

关键词：结构相变压缩金属化从头计算方法超导临界温度电子特性压力范围进化算法

A green synthesis of dihydropyrimidinones by Biginelli reaction over Nafion-H catalyst

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Chinese Chemical Letters 2007年第5期18卷 502-504页

作者： hai Xia lin qing Jie Zhao Bin Xu Xiao Hong Wang Department of Chemistry Shanghai University Shanghai 200444 China

A Nation-H catalyzed, single step and environmentally friendly process for synthesis of dihydropyrimidinones is described. This adopted protocol for Biginelli reaction has the advantages of reusability of the catalyst... 详细信息

关键词： Nation-H Dihydropyrimidinone Biginelli reaction Catalysis

Zero Temperature Numerical Studies of Multiband Lattice Models of Strongly Correlated Electrons

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Communications in Computational Physics 2006年第4期1卷 575-615页

作者： Yong-Qiang Wang hai-qing lin J.E.Gubernatis Department of Physics and the Institute of Theoretical Physics The Chinese University of Hong KongShatinN.T.Hong Kong SAR Theoretical Division Los Alamos National LaboratoryLos AlamosNM 87545 USA

Relative to single-band models,multiband models of strongly interacting electron systems are of growing interest because of their wider range of novel phenomena and their closer match to the electronic structure of real *** this brief review we discuss the physics of three multiband models(the three-band Hubbard,the periodic Anderson,and the Falicov-Kimball models)that was obtained by numerical simulations at zero *** first give heuristic descriptions of the three principal numerical methods(the Lanczos,the density matrix renormalization group,and the constrainedpath Monte Carlo methods).We then present generalized versions of the models and discuss the measurables most often associated with ***,we summarize the results of their ground state numerical *** each model was developed to study specific phenomena,unexpected phenomena,usually of a subtle quantum mechanical nature,are often *** as often,the predictions of the numerical simulations differ from those of mean-field theories.

关键词： Lanczos method density matrix renormalization group constrained-path Monte Carlo three-band Hubbard model periodic Anderson model Falicov-Kimball model

Nodeless superconductivity in a vanadium kagome metal

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Science China(Physics,Mechanics & Astronomy) 2021年第10期64卷 14-14页

作者： hai-qing lin Beijing Computational Science Research Center Beijing 100193China

The pairing symmetry of the superconducting order parameter contains key information about the pairing mechanism of the superconductor. For conventional superconductors, whose pairing is usually induced by the electron-phonon interaction, the pairing symmetry is s-wave, and the superconducting gap is fully open everywhere on the Fermi surface. For unconventional superconductors such as the cuprate and heavy fermion superconductors, other pairing symmetries may occur, leading to symmetry-mandated nodes in the superconducting order parameter.

关键词： parameter surface symmetry

Metal intercalation-induced selective adatom mass transport on graphene

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Nano Research 2016年第5期9卷 1434-1441页

作者： Xiaojie Liu Cai-Zhuang Wang Myron Hupalo hai-qing lin Kai-Ming Ho Patricia A. Thiel Michael C. Tringides Center for Quantum Science and School of Physics Northeast Normal University Changchun 730777 China Ames Laboratory-U.S. Department of Energy and Department of Physics and Astronomy Iowa State University Ames IA 50011 USA Beijing Computational Science Research Center Beijing 100084 China Ames Laboratory-U.S. Department of Energy Department of Chemistry and Department of Materials Science and Engineering Iowa State University Ames IA 50011 USA

Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. This alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.

关键词： graphene intercalation electrostatic potential selective adsorption first-principle calculation

Building egg-tray-shaped graphenes that have superior mechanical strength and band gap

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npj Computational Materials 2019年第1期5卷 536-543页

作者： Wei Liu Lei Zhao Eva Zurek Jing Xia Yong-hao Zheng hai-qing lin Jing-yao Liu Mao-sheng Miao Beijing Computational Science Research Center 100193 BeijingPR China Department of Optical Engineering Zhejiang A&F UniversityLin’an 311300 ZhejiangPR China Department of Physics and Astronomy University of CaliforniaIrvineCA 92697USA Department of Chemistry&Biochemistry California State UniversityNorthridgeCA 91330-8262USA School of Optoelectronic Science and Engineering University of Electronic Science and Technology of China(UESTC)610054 ChengduPR China Department of Chemistry State University of New York at BuffaloBuffaloNY 14260-3000USA Laboratory of Theoretical and Computational Chemistry Institute of Theoretical ChemistryJilin University130023 ChangchunPR China

The major hindrances of implementing graphene in two-dimensional(2D)electronics are both mechanical(the tendency to crumble and form ripples)and electrical(the lack of a band gap).Moreover,the inevitable structural defects in graphene have a profound influence on its physical and chemical ***,we propose a family of 2D egg-tray graphenes constructed by arranging pentagon and heptagon defects in the graphene lattice based on a careful analysis of the topological distribution of minima,maxima,and saddle ***-principles calculations show that the egg-tray graphenes are dynamically stable,and their energies,which depend on the concentration of pentagons and heptagons,are the lowest among carbon *** 2D carbon allotropes exhibit a large variation in their electronic properties,ranging from semimetallic to semiconducting,including some allotropes that have Dirac cones in their band ***,some egg-tray graphenes are predicted to have negative Poisson’s *** adsorption of Li atoms on the egg-tray graphenes is considerably stronger than the adsorption on perfect graphene,therefore they may absorb Li more effectively than graphene,which is important for improving the performance of rechargeable Li batteries.

关键词： adsorption band shaped