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High-Quality and Wafer-Scale Cubic Silicon Carbide Single Crystals

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Energy & Environmental Materials 2024年第4期7卷 442-449页

作者： Guobin Wang Da Sheng Yunfan Yang Hui Li Congcong Chai Zhenkai Xie Wenjun Wang Jiangang Guo Xiaolong Chen Beijing National Laboratory for condensed matter physics Institute of Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

Cubic silicon carbide (3C-SiC) has superior mobility and thermal conduction over that of widely applied hexagonal ***,much lower concentration of interfacial traps between insulating oxide gate and3C-SiC helps fabrica... 详细信息

关键词： cubic SiC high-temperature solution growth high-temperature surface tension solid–liquid interfacial energy wide band gap semiconductor

A pseudoclassical theory for the wavepacket dynamics of the kicked rotor model

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Science China(physics,Mechanics & Astronomy) 2024年第3期67卷 34-43页

作者： Zhixing Zou Jiao Wang Department of physics and Key Laboratory of Low Dimensional condensed matter physics(Department of Education of Fujian Province) Xiamen UniversityXiamen 361005China Lanzhou center for Theoretical physics Lanzhou UniversityLanzhou 730000China

In this study, we propose a generalized pseudoclassical theory for the kicked rotor model in an attempt to discern the footprints of the classical dynamics in the deep quantum regime. Compared with the previous pseudoclassical theory that applies only in the neighborhoods of the lowest two quantum resonances, the proposed theory is applicable in the neighborhoods of all quantum resonances in principle by considering the quantum effect of the free rotation at a quantum resonance. In particular, it is confirmed by simulations that the quantum wavepacket dynamics can be successfully forecasted based on the generalized pseudoclassical dynamics, offering an intriguing example where it is feasible to bridge the dynamics in the deep quantum regime to the classical dynamics. The application of the generalized pseudoclassical theory to the PT-symmetric kicked rotor is also discussed.

关键词： quantum-classical correspondence kicked rotor model pseudoclassical theory wavepacket dynamics

C-Type Antiferromagnetic Structure of Topological Semimetal CaMnSb2

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Chinese physics Letters 2024年第03期41卷 119-125页

作者：李博曾旭涛徐千惠杨帆项俊森钟恒扬邓司浩何伦华徐菊萍殷雯鲁兴业刘慧颖胜献雷金文涛 School of physics Beihang University Beijing National Laboratory for condensed matter physics and Institute of PhysicsChinese Academy of Sciences center for Advanced Quantum Studies and Department of physics Beijing Normal University Spallation Neutron Source Science center Songshan Lake Materials Laboratory

Determination of the magnetic structure and confirmation of the presence or absence of inversion （P） and time reversal （Τ） symmetry is imperative for correctly understanding the topological magnetic materials. He... 详细信息

关键词： Density functional theory

Monophase-homointerface electrodes intrinsically stabilize high-voltage all-solid-state batteries

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Science China Chemistry 2024年第5期67卷 1729-1739页

作者： Xiaolin Xiong Xianguo Ma Tianshi Lv Liquan Chen Liumin Suo Beijing National Laboratory for condensed matter physics Institute of PhysicsChinese Academy of ScienceBeijing 100190China center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China

The electrochemical stability and contact reliability of heterointerfaces between the solid electrolyte(SE) and electrode are critical for all-solid-state batteries(ASSBs), particularly much more challenging for high-voltage ASSBs, owing to the limited thermodynamically electrochemical window and mechanical inflexibility of SE, aggravating interfacial side reactions and contact failure. Considering all those issues originating from intrinsic heterogeneity in physicochemical features between the cathode material and SE, we are thinking about simplifying the heterointerfaces into a homointerface as a permanent cure to solve all electrochemical-mechanical interfacial failure. Herein, we propose monophase cathodes to construct thermodynamically stable all-in-one homointerfaces in ASS electrodes, removing unstable heterointerfaces by excluding SEs and intrinsically eliminating the Li chemical potential gap to avoid the formation of lithium-depleted space-charge layer and highly resistive mixed ion–electron conductor interphase. Our conception is successfully validated in the layered transition-metal oxide cathodes, which display outstanding stability no matter the MH-LiCoO_(2) cathode charging to 4.7 V or MH-Li_(1.2)Mn_(0.54)Ni_(0.13)-Co_(0.13)O_(2) cathode charging to 5.3 V. It is undeniable that our current version of above-illustrated MH-cathodes would bring out some new challenges for the practical application due to abandoning the SE. However, we believe our work also offers a brandnew direction to ultimately address the electrochemical–mechanical interfacial issues that would be promising for high-energy ASSBs with more discoveries of advanced monophase cathodes in the future.

关键词： monophase-homointerface electrode high-voltage all-solid-state batteries electrochemical-mechanical interfacial issue

Cholesterol-induced deformation of the gramicidin A channel inhibiting potassium ion binding and transport

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Chinese physics B 2024年第5期33卷 696-702页

作者：肖盼曹宇朱瑾梁清 center for Statistical and Theoretical condensed matter physics & Department of physics Zhejiang Normal UniversityJinhua 321004China Zhejiang Institute of Photoelectronics & Zhejiang Institute for Advanced Light Source Zhejiang Normal UniversityJinhua 321004China

Gramicidin A(gA)is a kind of antibiotic peptide produced by bacillus brevis and it can dimerize across lipid bilayers to form a monovalent cation *** this work,we investigate the impact of cholesterol in the lipid bilayer on the binding of potassium ions with the gA channel and the transport of the ions across the *** results indicate that cholesterol can significantly influence the conformational stability of the gA channel and cause the channel deformation which inhibits the potassium ion binding with the channel and transport across the *** work provides some molecular insights into understanding of influence of lipids on the activity of gA channel in both model membranes and plasma membranes of intact cells.

关键词： gramicidin A lipid bilayer molecular dynamics interaction

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

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Chinese physics B 2024年第2期33卷 512-521页

作者：徐耀黄舒伟丁泓铭马余强 National Laboratory of Solid State Microstructures and Department of physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China center for Soft condensed matter physics and Interdisciplinary Research School of Physical Science and TechnologySoochow UniversitySuzhou 215006China

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and ***,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains *** this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid *** findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head ***,ssRNA exhibited stronger binding energy than ***,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from ***,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

关键词： RNA DNA lipid bilayer molecular dynamics interface interaction divalent cation

Unconventional phonon spectra and obstructed edge phonon modes

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Science China(physics,Mechanics & Astronomy) 2024年第4期67卷 114-118页

作者： Ruihan Zhang Haohao Sheng Junze Deng Zhong Fang Zhilong Yang Zhijun Wang Beijing National Laboratory for condensed matter physics and Institute of PhysicsChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Based on the elementary band representations(EBR),many topologically trivial materials are classified as unconventional ones(obstructed atomic limit),where the EBR decomposition for a set of electronic states is not consistent with atomic valenceelectron band *** the work,we identify that the unconventional nature can also exist in phonon spectra,where the EBR decomposition for a set of well-separated phonon modes is not consistent with atomic vibration band representations(ABR).The unconventionality has two types:typeⅠis on an empty site;and typeⅡis on an atom site with non-atomic vibration *** unconventionality is described by the nonzero real-space invariant at the *** detailed calculations show that the black phosphorus(BP)has the typeⅠunconventional phonon spectrum,while 1H-Mo Se_(2)has the typeⅡone,although their electronic structures are also ***,the obstructed phonon modes are obtained for two types of unconventional phonon spectra.

关键词： unconventional phonon spectra obstructed edge phonon mode typeⅠ&typeⅡunconventionality

Bose–Einstein distribution temperature features of quasiparticles around magnetopolaron in Gaussian quantum wells of alkali halogen ions

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Chinese physics B 2024年第9期33卷 521-526页

作者： Xin Zhang Sarengaowa Shuang Han Ran An Xin-Xue Zhang Xin-Ying Ji Hong-Xu Jiang Xin-Jun Ma Pei-Fang Li Yong Sun College of physics and Electronic Information Inner Mongolia Minzu UniversityTongliao028000China Institute of condensed matter physics Inner Mongolia Minzu UniversityTongliao 028000China

We have applied strong coupling unitary transformation method combined with Bose–Einstein statistical law to investigate magnetopolaron energy level temperature effects in halogen ion crystal quantum *** obtained results showed that under magnetic field effect,magnetopolaron quasiparticle was formed through the interaction of electrons and surrounding *** the same time,magnetopolaron was influenced by phonon temperature statistical law and important energy level shifts down and binding energy *** revealed that lattice temperature and magnetic field could easily affect magnetopolaron and the above results could play key roles in exploring thermoelectric conversion and conductivity of crystal materials.

关键词： temperature effect quantum well asymmetric Gaussian potential magnetopolaron

Two-fold symmetry of the in-plane resistance in kagome superconductor Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with enhanced superconductivity

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Chinese physics B 2024年第7期33卷 9-14页

作者：赵振王汝文张宇航祝轲余维琪韩烨超刘家利胡国静郭辉林晓董晓莉陈辉杨海涛高鸿钧 Beijing National center for condensed matter physics and Institute of physics Chinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Songshan Lake Materials Laboratory Dongguan 523808China

The kagome superconductor CsV_(3)Sb_(5) has attracted widespread attention due to its rich correlated electron states including superconductivity, charge density wave(CDW), nematicity, and pair density wave. Notably, the modulation of the intertwined electronic orders by the chemical doping is significant to illuminate the cooperation/competition between multiple phases in kagome superconductors. In this study, we have synthesized a series of tantalum-substituted Cs(V_(1-x)Ta_(x))_(3)Sb_(5) by a modified self-flux method. Electrical transport measurements reveal that CDW is suppressed gradually and becomes undetectable as the doping content of x is over 0.07. Concurrently, the superconductivity is enhanced monotonically from T_(c) ~ 2.8 K at x = 0 to 5.2 K at x = 0.12. Intriguingly, in the absence of CDW, Cs(V_(1-x)Ta_(x))_(3)Sb_(5)(x = 0.12) crystals exhibit a pronounced two-fold symmetry of the in-plane angular-dependent magnetoresistance(AMR) in the superconducting state, indicating the anisotropic superconducting properties in the Cs(V_(1-x)Ta_(x))_(3)Sb_(5). Our findings demonstrate that Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with the non-trivial band topology is an excellent platform to explore the superconductivity mechanism and intertwined electronic orders in quantum materials.

关键词： kagome superconductor charge density wave rotation symmetry breaking