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Spectroscopy and molecule opacity investigation on excited states of SiS

Chinese physics B 2024年第5期33卷 381-387页

作者：李瑞吕浩男桑纪群刘晓华梁桂颖吴勇 College of Teacher Education Qiqihar UniversityQiqihar 161006China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics College of ScienceQiqihar UniversityQiqihar 161006China School of Data Science and Artificial Intelligence Jilin Engineering Normal UniversityChangchun 130052China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China

The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many *** to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is *** obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been *** method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of *** core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI *** on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental *** transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI *** addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic *** opacity of SiS at a pressure of 100 atms is presented across a series of *** increasing temperature,the expanding population of excited states blurs the band boundaries.

关键词： SiS opacity excited state spectroscopic constant configuration interaction

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Insights into friction behavior of textured amorphous carbon and lubricant composite system: Dependence on the lubricant viscosity and textured shape

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Progress in Natural science:Materials International 2023年第5期33卷 616-624页

作者： Jiaqing Ding Naizhou Du Xubing Wei Xiaowei Li Zan Chen Shiqi Lu Haolin Zhang Cunao Feng Kai Chen Jianghao Qiao Dekun Zhang Kwang-Ryeol Lee School of Materials Science and Physics China University of Mining and Technology Key Laboratory of Marine Materials and Related Technologies Zhejiang Key Laboratory of Marine Materials and Protective Technologies Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Computational Science Center Korea Institute of Science and Technology

Combining textured amorphous carbon(a-C) film with lubricant achieves ultra-low friction to improve the mechanical component's service life. However, the coupling influence of lubricant viscosity and textured shape on friction behavior and interfacial transformation are still unclear. In this work, the evolution of friction performance with Poly-alpha-olefin viscosities and its dependence on textured shapes were investigated by reactive molecular dynamics simulation. Results reveal that as the textured shape is fixed, increasing the lubricant viscosity causes friction coefficient to decline first and then increase, due to the hydrodynamic lubrication and regional aggregation of lubricant. While under same lubricant condition, rectangular textured systems exhibit lower friction coefficient than circular textured ones, attributing to the formation of stable lubricant film without serious aggregation.

关键词： Amorphous carbon Surface texture Lubricant Reactive molecular dynamics

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Study on the formation characteristics of underwater hemispherical shaped charge jet and its penetration performance into concrete

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Defence technology(防务技术) 2025年第5期47卷 180-196页

作者： Chao Cao Jinxiang Wang Lingquan Kong Kui Tang Yujie Xiao Yangchen Gu Ming Yang Jian Wang National Key Laboratory of Transient Physics Nanjing University of Science and TechnologyNanjing210094China Naval Research Institute Beijing 100841China

Shaped charge has been widely used for penetrating ***,due to the obvious difference between the propagation of shock waves and explosion products in water and air,the theory governing the formation of shaped charge jets in water as well as the underwater penetration effect of concrete need to be *** this paper,we introduced a modified forming theory of an underwater hemispherical shaped charge,and investigated the behavior of jet formation and concrete penetration in both air and water experimentally and *** results show that the modified jet forming theory predicts the jet velocity of the hemispherical liner with an error of less than 10%.The underwater jets exhibit at least 3%faster and 11%longer than those in *** shows different failure modes after penetration in air and *** depth of penetration deepens at least 18.75%after underwater penetration,accompanied by deeper crater with 65%smaller ***,cracks throughout the entire target are formed,whereas cracks exist only near the penetration hole in *** comprehensive study provides guidance for optimizing the structure of shaped charge and improves the understanding of the permeability effect of concrete in water.

关键词： Shaped charge jet Underwater penetration Formation characteristic Concrete failure

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Efficient Beam Flattening for Planar-Integrated Magneto-Optical Traps

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Chinese physics Letters 2025年第3期42卷 74-79页

作者： Chang-Jiang Huang Hong-Chen Liu Liang Chen Chuan-Feng Li Guang-Can Guo Chang-Ling Zou Guo-Yong Xiang CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

The planar-integrated magneto-optical trap(PIMOT)offers a promising platform for miniaturizing cold atom systems,but its performance and laser-power efficiency are limited by the typically Gaussian profile of the input laser *** this work,we present a simplified and cost-effective beam shaping solution to transform the Gaussian input into a flat-top intensity distribution using a compact system of four spherical *** reshaped light field could potentially enhances PIMOT performance by improving the uniformity of the optical radiation pressure and increasing the trap distance from the chip *** this approach,we demonstrate a substantial reduction in the optical power required to trap 2.5×10^(5)^(87)Rb atoms,down to 30%compared to a standard Gaussian beam *** results open the door to more efficient and flexible PIMOT systems for quantum sensing,metrology,and atom-based quantum technology.

关键词： quantum beam metrology

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Interplay between the atomic structures and superconductivity of two-monolayer Pb films

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science China(physics,Mechanics & Astronomy) 2024年第1期67卷 90-98页

作者： Kun Xie Ze Huang Pengju Li Yumin Xia Desheng Cai Yitong Gu Yuzhou Liu Fangliang Cai Runxiao Zhang Haohao Shi Ping Cui Shengyong Qin International Center for Quantum Design of Functional Materials(ICQD) University of Science and Technology of ChinaHefei 230026China CAS Key Laboratory of Strongly Coupled Quantum Matter Physics Department of PhysicsUniversity of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China

Superconductors with reduced dimensionality have been widely explored for their exotic superconducting ***,at the two-dimensional limit,two-monolayer Pb films with two types of structures provide an ideal platform to unveil the underlying superconducting mechanism[science 324,1314(2009)].Here,by combining scanning tunneling microscopy(STM)with the first-principle calculations,we successfully identify that these two types have different atomic lattice structures with varying stacking phases,which further enables us to calculate the phonon spectrum and electron phonon coupling strength of each *** theoretical calculations are in good agreement with tunneling spectroscopy measurements of the superconducting transition temperatures(T_(c)),which established a correlation between atomic structures and ***,it was observed that the higher T_(c)of these two types also possess higher out-of-plane upper critical magnetic fields(Hc2).These findings will provide important new insights into two-dimensional superconductivity at the atomic level.

关键词： 2 ML Pb films superconductivity atomic structure scanning tunneling microscopy first-principle calculations

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Physical origin of planar linear dichroism in van der Waals semiconductors using main group elements

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science China(Information sciences) 2024年第12期67卷 291-301页

作者： Qiang GAO Yali YU Kaiyao XIN Ziqi ZHOU Hui-Xiong DENG Lin LI Xiaojie TANG Congxin XIA Duan-Yang LIU Jian-Bai XIA Jun KANG Zhongming WEI State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing Computational Science Research Center Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences School of Physics Henan Key Laboratory of Photovoltaic Materials Henan Normal University School of Physics and Optoelectronic Engineering Zhengzhou Key Laboratory of Low-Dimensional Quantum Materials and Devices Zhongyuan University of Technology

The polarization of light can provide abundant information regarding the polarization degree,phase shift, and Jones vector, which is important in light communication, environmental scanning, quality inspection, etc. Recently, two-dimensional(2D) semiconductors have provided an ideal platform for detecting polarized light due to their remarkable and tunable linear dichroism(LD). However, the physical mechanism of the in-plane LD in 2D semiconductors has not been systematically investigated, limiting the further exploration of the 2D anisotropic semiconductors and the directionality of experiments on polarization photodetection. In this study, the in-plane LD of 100 types of 2D semiconductors composed of main group elements is investigated via first-principles theory combined with the decision tree algorithm and experimental measurement. The in-plane asymmetry of the lattice and band edge wavefunctions are the main origins of the in-plane LD. 2D semiconductors with in-plane orthorhombic and monoclinic lattices tend to have considerable in-plane LD, while their hexagonal counterparts are optically isotropic. Specifically, orthorhombic 2D semiconductors possess larger in-plane LD because their intrinsic mirror planes in the lattice induce in-plane parity of the wavefunctions at the band edges. The decision tree algorithm further reveals that in-plane LD is also related to the difference for the a and b lattice constants and the electronegativity difference between the cation and anion. In addition, heterostructures formed from these 2D semiconductors exhibit high light absorption, strong in-plane LD, and various types of band alignment. The result of our study can promote the application and development of 2D semiconductors in polarization optoelectronics.

关键词： 2D semiconductor linear dichroism optical properties in-plane symmetry main group elements

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Designing topological and correlated 2D magnetic states via superatomic lattice constructions of zirconium dichloride

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Nano Research 2023年第12期16卷 13509-13515页

作者： Yang Song Wen-Han Dong Kuan-Rong Hao Shixuan Du Lizhi Zhang Laboratory of Theoretical and Computational Nanoscience National Center for Nanoscience and TechnologyBeijing 100190China Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijing 100084China

Magnetic materials could realize the intriguing quantum anomalous Hall effect and metal-to-insulator transition when combined with band topology or electronic correlation,which have broad prospects in quantum information,spintronics,and ***,we propose the approach of designing novel two-dimensional(2D)magnetic states via d-orbital-based superatomic ***,we chose triangular zirconium dichloride disks as superatoms to construct the honeycomb superatomic *** first-principles calculations,we identified a series of 2D magnetic states with varying sizes of *** found the non-uniform stoichiometries and geometric effect of superatomic lattice give rise to spin-polarized charges arranged in different magnetic configurations,containing ferromagnetic coloring triangles,antiferromagnetic honeycomb,and ferromagnetic kagome ***,these magnetic states are endowed with nontrivial band topology or strong correlation,forming an ideal Chern insulator or antiferromagnetic Dirac Mott *** work not only reveals the potential of d-orbital-based superatoms for generating unusual magnetic configurations,but also supplies a new avenue for material engineering at the nanoscale.

关键词： topological state Chern insulator Dirac Mott insulator zirconium dichloride superatomic lattice kagome lattice

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Dimensionality-driven metal to Mott insulator transition in two-dimensional 1T-TaSe2

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national science Review 2024年第3期11卷 108-118页

作者： Ning Tian Zhe Huang Bo Gyu Jang Shuaifei Guo Ya-Jun Yan Jingjing Gao Yijun Yu Jinwoong Hwang Cenyao Tang Meixiao Wang Xuan Luo Yu Ping Sun Zhongkai Liu Dong-Lai Feng Xianhui Chen Sung-Kwan Mo Minjae Kim Young-Woo Son Dawei Shen Wei Ruan Yuanbo Zhang State Key Laboratory of Surface Physics New Cornerstone Science Laboratory and Department of PhysicsFudan University Shanghai Qi Zhi Institute Shanghai Research Center for Quantum Sciences Institute for Nanoelectronic Devices and Quantum Computing Fudan University Zhangjiang Fudan International Innovation Center Fudan University State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology(SIMIT)Chinese Academy of Sciences School of Physical Science and Technology ShanghaiTech University Korea Institute for Advanced Study School of Emerging Technology and Department of Physics University of Science and Technology of China Advanced Light Source Lawrence Berkeley National Laboratory ShanghaiTech Laboratory for Topological Physics Key Laboratory of Materials Physics Institute of Solid State Physics Hefei Institutes of Physical ScienceChinese Academy of Sciences High Magnetic Field Laboratory Hefei Institutes of Physical Science Chinese Academy of Sciences Collaborative Innovation Centre of Advanced Microstructures Nanjing University Department of Physics University of Science and Technology of China and Key Laboratory of Strongly Coupled Quantum Matter Physics Chinese Academy of Sciences National Synchrotron Radiation Laboratory University of Science and Technology of China

Two-dimensional materials represent a major frontier for research into exotic many-body quantum phenomena. In the extreme two-dimensional limit, electron-electron interaction often dominates over other electronic energy scales, leading to strongly correlated effects such as quantum spin liquid and unconventional *** dominance is conventionally attributed to the lack of electron screening in the third dimension. Here, we discover an intriguing metal to Mott insulator transition in 1T-TaSe2that defies conventional wisdom. Specifically, we find that dimensionality crossover, instead of reduced screening, drives the transition in atomically thin 1T-TaSe2. A dispersive band crossing the Fermi level is found to be responsible for the bulk metallicity in the material. Reducing the dimensionality,however, effectively quenches the kinetic energy of these initially itinerant electrons, and drives the material into a Mott insulating *** dimensionality-driven metal to Mott insulator transition resolves the long-standing dichotomy between metallic bulk and insulating surface of 1T-TaSe2. Our work further reveals a new pathway for modulating two-dimensional materials that enables exploring strongly correlated systems across uncharted parameter space.

关键词： two-dimensional materials 1T-TaSe2 dimensionality crossover metal to Mott insulator transition

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New quantification of symmetry energy from neutron skin thicknesses of^(48)Ca and^(208)Pb

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Nuclear science and Techniques 2024年第10期35卷 188-196页

作者： Rong An Shuai Sun Li-Gang Cao Feng-Shou Zhang School of Physics Ningxia UniversityYinchuan 750021China Key Laboratory of Beam Technology of the Ministry of Education College of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China Key Laboratory of Beam Technology of the Ministry of Education Institute of Radiation TechnologyBeijing Academy of Science and TechnologyBeijing 100875China Center of Theoretical Nuclear Physics National Laboratory of the Heavy Ion Accelerator of LanzhouLanzhou 730000China

Precise knowledge of the nuclear symmetry energy can be tentatively calibrated using multimessenger *** neutron skin thickness of a heavy nucleus is one of the most sensitive indicators for probing the isovector components of effective interactions in asymmetric nuclear *** studies have suggested that the experimental data from the CREX and PREX2 collaborations are not mutually compatible with existing nuclear *** this study,we review the quantification of the slope parameter of the symmetry energy L from the neutron skin thicknesses of^(48)Ca and^(208)*** energy density functionals classified by various isoscalar incompressibility coefficients K were employed to evaluate the bulk properties of finite *** calculated results suggest that the slope parameter L deduced from^(208)Pb is sensitive to the compression modulus of symmetric nuclear matter,but not that from^(48)*** effective parameter sets classified by K=220 MeV can provide an almost overlapping range of L from^(48)Ca and^(208)Pb.

关键词： Nuclear symmetry energy Neutron skin thickness Energy density functional

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Majorana noise model and its influence on the power spectrum

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Chinese physics B 2024年第1期33卷 637-646页

作者：陈书梦丁思凡张振涛刘东 State Key Laboratory of Low Dimensional Quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China School of Physics Science and Information Technology Shandong Key Laboratory of Optical Communication Science and TechnologyLiaocheng UniversityLiaocheng 252059China Beijing Academy of Quantum Information Sciences Beijing 100193China Frontier Science Center for Quantum Information Beijing 100084China Hefei National Laboratory Hefei 230088China

Majorana quantum computation offers a potential approach to securely manipulating and storing quantum data in a topological manner that may effectively resist the decoherence induced by local noise. However, actual Majorana qubit setups are susceptible to noise. In this study, from a quantum dynamics perspective, we develop a noise model for Majorana qubits that accounts for quasi-particle poisoning and Majorana overlapping with fluctuation. Furthermore, we focus on Majorana parity readout methodologies, specifically those leveraging an ancillary quantum dot, and carry out an indepth exploration of continuous measurement techniques founded on the quantum jump model of a quantum point *** these methodologies, we proceed to analyze the influence of noise on the afore-mentioned noise model, employing numerical computation to evaluate the power spectrum and frequency curve. In the culmination of our study, we put forward a strategy to benchmark the presence and detailed properties of noise in Majorana qubits.

关键词： Majorana zero mode topological quantum computation topological devices decoherence and noise in qubits

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