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Exploring the Magnetism of C_(5)/C_(2)B_(3) Heteroleptic Organolanthanide Sandwiches

Chinese Journal of Chemistry 2025年第2期43卷 131-138页

作者： Ye-Ye Liu Qian-Cheng Luo Peng-Bo Jin Yan-Zhen Zheng Frontier Institute of Science and Technology(FIST) State Key Laboratory of Electrical Insulation and Power EquipmentMOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed MatterXi’an Key Laboratory of Electronic Devices and Material Chemistry and School of ChemistryXi’an Jiaotong UniversityXi’anShaanxi710054 China Department of Hepatobiliary Surgery and Institute of Advanced Surgical Technology and Engineering The First Affiliated Hospital of Xi’an Jiaotong UniversityXi’anShaanxi710061 China

Two families of cyclopentadienyl(Cp)/carboranyl heteroleptic sandwiched organolanthanide complexes,namely[Ln{η^(5):σ-Me_(2)C(C_(5)H_(4))(C_(2)B_(10)H_(10))}_(2)][Li(DME)_(3)](1Ln,Ln=Tb,Dy,Ho,Er)and[2-THF-2'-(μ^(2)-Cl)Li(THF)_"(3)-2,2'-Ln(nido-1,7-C_(2)B_(9)H_(11))Cp*](2Dy),were *** of 1Ln has been proposed based on the mixing-ligands idea by linking Cp and ***,the carborane cage of[Me_(2)C(C_(5)H_(4))(C_(2)B_(10)H_(10))]_(2)−deprotons and forms a mono-C−anion rather than deboron to form dicarborllide ***,the family of 1Ln features a dysprosocenium skeleton with extra two coordination of C−anions of *** coordination geometry is more like a tetrahedron if abstracting the centroids of two coordinated Cp *** this cubic-type geometry,no significant magnetic axiality is presented;only 1Dy and 1Tb show field-induced slow magnetic relaxation behavior below 10 *** by 1Ln,the free pentamethylcyclopentadienyl(Cp^(*−))and nido-dicarborllide ligands are used to sandwich central Dy3+ion,achieving heteroleptic complex *** bending angle by linking the centroid of Cp^(*−),Dy^(3+)and C_(2)B_(3)^(2−)in 2Dy is increased to 132.8(1)°.As such,the effective energy barrier for magnetic reversal(Ueff)and magnetic blocking temperature TB(ZFC)are both increased(Ueff=616(10)K;TB=6 K).The effort of further enhancing Ueff and TB in such heteroleptic organolanthanide sandwiches should rely on keeping increasing the ligand axiality.

关键词： Single-molecule magnets Heteroleptic sandwiched complexes nido-Dicarborllide Lanthanides Cyclopentadienyl

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Intra-band entanglement-assisted cavity electro-optic quantum transducer

arXiv

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arXiv 2025年

作者： Hou, Yu-Bo You, Rui-Zhe Zhang, Di-Jia Li, Pengbo Zhong, Changchun MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter China Shaanxi Province Key Laboratory of Quantum Information and Quantum Optoelectronic Devices China School of Physics Xi’an Jiaotong University Xi’an710049 China

Quantum transduction is a key technology for connecting different quantum technologies across varied frequencies. However, it remains a major challenge to overcome the high threshold for achieving positive capacity of traditional quantum transduction channels. Recently, an entanglement-assisted transducer was proposed based on a cavity-optic system [Opt. Quantum 2, 475 (2024)], where a modified bosonic loss channel was obtained, and the transduction efficiency can be enhanced by properly tuning the squeezing parameters. In this paper, we further identify three types of quantum channels enabled by this design, offering additional options for implementing the proposed transduction schemes. Compared to the transducers without entanglement assistance, the scheme also shows a great enhancement in the conversion bandwidth for achieving high quantum capacity, further increasing its value in practical applications. © 2025, CC BY.

关键词： Quantum entanglement

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Layer number dependent magnetic transitions in two-dimensional A-type antiferromagnets

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Physical Review B 2025年第7期111卷 075419-075419页

作者： Haibo Xie Xueyan Dong Xiaoyu Wang Lihao Zhang Shuxi Wang Zhe Wang Jie Pan MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Materials and Mesoscopic Physics School of Physics Xi'an Jiaotong University Xi'an 710049 China

Two-dimensional (2D) A-type antiferromagnets, characterized by intralayer ferromagnetic and interlayer antiferromagnetic couplings, exhibit significant tunability in their spin configurations, along with exotic electronic and optical responses. With the recent discovery of various 2D A-type antiferromagnets such as CrI3 and MnBi2Ti4, the diversity in their magnetic parameters—including interlayer coupling strengths and anisotropies—has made their magnetic transitions complex and challenging to fully comprehend. In this work, we employ a linear chain model to systematically investigate the magnetic transitions in 2D A-type antiferromagnets. Through numerical simulations, we explore the layer number dependence of spin-flip and spin-flop transitions with different magnetic parameters, under varying magnetic field orientations. Additionally, we derive analytical expressions to describe the layer number dependence of these transitions. Our findings enhance the understanding of magnetic transitions in 2D antiferromagnets by revealing how spin-flip and spin-flop transitions are influenced by layer numbers. Furthermore, our approach provides an effective method to determine crucial parameters, such as interlayer coupling strengths and anisotropic properties, based on experimental observations.

关键词： Anisotropy

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Study on charmonium(-like) mesons within a diabatic approach

arXiv

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arXiv 2025年

作者： Zhang, Zi-Zhao Li, Rong Liu, Bo-Chao MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Physics Xi’an Jiaotong University Xi’an710049 China

In this work, we study the charmonium(-like) spectrum below 4.1 GeV using the diabatic approach, which offers a unified description of conventional and unconventional heavy meson states. Compared to previous studies, we consider a more realistic cc¯ potential with including the spin-dependent interactions, which allows us to obtain more states and get more insights on the charmonium spectrum. Based on our calculation, we obtain the masses of the charmonium spectrum which align with the experimental data well. We also present the probabilities of finding various components, i.e. cc¯ or meson-meson pair, in those states. Our results support the arguments that the χc1(3872), ψ(4040) and χc2(3930) have significant molecular components. In addition, our calculations show that the χc0(3860) and ψ(3770) can be looked as the candidates for the charmonium states χc0(2P) and ψ(1D), respectively. © 2025, CC BY.

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Experimental Evidence for Double Intermolecular Coulombic Decay in Bio-Relevant Molecular Dimers

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Physical Review Letters 2025年第3期134卷 033001-033001页

作者： Xintai Hao Xiaorui Xue Jiaqi Zhou Xinyu Zhang Xiaokai Li Qingrui Zeng Qibo Ma Yongtao Zhao Chuncheng Wang MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Physics Xi’an Jiaotong University Xi’an 710049 China Institute of Atomic and Molecular Physics Jilin University Changchun 130012 China

We report the experimental observation of double intermolecular Coulombic decay (dICD) and reveal its potential for radiation biology in some prototypical molecular dimers consisting of benzene, pyridine, and water. In dICD, the inner-shell vacancy is filled by an electron from an outer shell and the energy released is transferred to doubly ionize the neighboring molecule with the emission of two low-energy electrons. The system further relaxes by a three-body Coulomb explosion process, e.g., CH3++C5H3++C6H6+ for benzene dimer. Through multicoincidence momentum imaging, we find that dICD is an efficient relaxation pathway for the Auger-accessible inner-shell ionization states in molecular complexes. Moreover, this ultrafast decay mechanism causes a direct breaking of the aromatic rings, which is observed to be a general phenomenon occurring in biological systems and thus can play an important role in radiation biology.

关键词： Ionization potential

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Edge supercurrent in Josephson junctions based on topological materials

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Science China(Physics,Mechanics & Astronomy) 2025年第2期68卷 1-12页

作者： Junjie Qi Chui-Zhen Chen Juntao Song Jie Liu Ke He Qing-Feng Sun X.C.Xie Beijing Academy of Quantum Information Sciences Beijing 100193China School of Physical Science and Technology Soochow UniversitySuzhou 215006China Institute for Advanced Study Soochow UniversitySuzhou 215006China College of Physics and Hebei Advanced Thin Films Laboratory Hebei Normal UniversityShijiazhuang 050024China School of Physics Xi’an Jiaotong UniversityMinistry of Education Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed MatterXi’an 710049China State Key Laboratory of Low Dimensional Quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China Frontier Science Center for Quantum Information Beijing 100084China Hefei National Laboratory Hefei 230088China International Center for Quantum Materials School of PhysicsPeking UniversityBeijing 100871China Interdisciplinary Center for Theoretical Physics and Information Sciences Fudan UniversityShanghai 200433China

The interplay between novel topological states and superconductivity has garnered substantial interest due to its potential for topological quantum *** Josephson effect serves as a useful probe for edge superconductivity in these hybrid topological *** Josephson junctions based on topological materials,supercurrents exhibit unique quantum interference patterns,including the conventional Fraunhofer oscillations,theΦ_(0)-periodic oscillation,and the 2Φ_(0)-periodic oscillation in response to the external magnetic field(Φ_(0)=h/2e is the flux quantum,h the Planck constant,and e the electron charge).These interference patterns stem from varied Andreev reflection mechanisms and the associated current density *** review seeks to comprehensively examine the theoretical and experimental advancements in understanding the quantum interference patterns of edge supercurrents in Josephson junctions based on quantum spin Hall,quantum Hall,and quantum anomalous Hall systems.

关键词： quantum Hall effect quantum spin Hall effect quantum anomalous Hall effect Josephson junction edge supercurrent Andreev reflection

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Beam Spliter and Localization Induced by Controlled Perturbations after Time Boundary

arXiv

引用

arXiv 2025年

作者： Wang, Jing Chen, Yuetao Gao, Shaoyan MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Quantum Information and Quantum Optoelectronic Devices School of Physics Xi’an Jiaotong University 710049 China

MSC Codes 78A10, 65Z05The recent investigation into the phenomena of refraction and reflection at temporal boundaries, conducted through the lens of spacetime duality, has attracted considerable scholarly interest. This duality unveils insights into the propagation behaviors of beams at the temporal boundaries of perturbed systems. We have delineated a temporal boundary effect amenable to external control through a specifically tailored driving force, augmented by a time-varying constituent within the driving signal. We then unveil the phenomenon of beam splitting-both in time refraction and reflection induced by perturbing the lattice’s hopping parameter over time. By introducing varying intensities of aperiodic disorder to the coupling coefficients, we have exercised authority over the reflection angles. Our results lay the groundwork for delving into the temporal evolution of crystalline attributes via temporal boundary effects, while also enabling deliberate manipulation of spatial distribution frequency patterns by regulating the form and magnitude of noise. The results offers a manageable avenue for scrutinizing condensed-matter phenomena through providing an experimentally feasible solution. Copyright © 2025, The Authors. All rights reserved.

关键词： Refraction

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Solid-state stepwise temperature-programmable synthesis of bioinspired Fe-N-C oxygen reduction electrocatalyst featuring Fe-N_(5)configuration

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Nano Research 2025年第3期18卷 654-665页

作者： Wei Sang Somboon Chaemchuen Longyang Zhang Zechen Wang Xingchuan Li Cocoro Andrew Nagasaka Mo Xiong Naoki Ogiwara Cheng Chen Zhao Wang Jian Zhang Francis Verpoort Shichun Mu Zongkui Kou Tingting Wang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Department of Basic Science School of Arts and SciencesThe University of TokyoKomabaMeguro-kuTokyo 153-8902Japan MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter School of PhysicsXi’an Jiao tong UniversityXi’an 710049China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China Department of Chemical Engineering Faculty of EngineeringMahidol UniversityNakhon Pathom 73170Thailand School of Mathematical&Physical Sciences Wuhan Textile UniversityWuhan 430200China Joint Institute of Chemical Research(FFMiEN) Peoples Friendship University of Russia(RUDN University)6 Miklukho-Maklaya Str.117198 MoscowRussia National Research Tomsk Polytechnic University Lenin Avenue 30634050 TomskRussia Hubei Key Laboratory of Ferro &Piezo-electric Materials and DevicesFaculty of Physics and Electronic SciencesHubei UniversityWuhan 430062China School of Chemistry and Chemical Engineering Hainan UniversityHaikou 57022China

The bioinspired Fe-N-C features an asymmetric Fe-N_(5)configuration to produce active metal-oxygen intermediates by introducing axial N ligand into a symmetric Fe-N_(4) structure,enabling highly active oxygen reduction reaction(ORR).However,the artificial creation of active Fe-N_(5)configuration with a direct,facile and green method has been rarely developed yet,as current techniques involve complex processes and costly ***,we advance a novel solid-state stepwise temperature-programmable(SST)route to directly produce bioinspired Fe-N_(5)-*** then demonstrate that such a Fe-N_(5)-C exhibits a quite higher half-wave potential(0.92 V)with 22-fold faster ORR kinetics(15.6 mA·cm^(−2)@0.85 V)over that of the commercial Pt/C ***,we perform density functional theory(DFT)to find that the Fe is discharged with an extra 0.1 e^(−)through the axially coordinate N ligand,which significantly enhances the ability to activate O_(2) and enables an easier desorption of the crucial intermediate ^(*)OH on the Fe-N_(5)configuration over the conventional Fe-N_(4) structure.

关键词： single atom catalysts Fe-N_(5)coordination solvent-free synthesis oxygen reduction reaction(ORR) metal-air battery

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First-principles study of the Pr-doped bilayer nickelate La3Ni2O7

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Physical Review B 2025年第19期111卷 195118-195118页

作者： Zihao Huo Peng Zhang Haoliang Shi Xiaochun Yan Defang Duan Tian Cui Key Laboratory of Material Simulation Methods and Software of Ministry of Education State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun 130012 China MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic Physics School of Physics Xi'an Jiaotong University Xi'an 710049 China Institute of High Pressure Physics School of Physical Science and Technology Ningbo University Ningbo 315211 China

Recently, the Pr-doped Ruddlesden-Popper (RP) phase of bilayer nickelate La3Ni2O7 has been reported to exhibit a superconducting transition temperature (Tc) of 82.5 K and a superconducting volume fraction of about 57% at high pressure. However, the effect of Pr doping on La3Ni2O7 remains unclear. Here, we studied the crystal structures and electronic properties of Pr-doped La3Ni2O7 at 0 and 15 GPa based on the first-principles calculations to explore the doping effect of Pr. Our findings indicate that the praseodymium atoms prefer to occupy the outer La-O layers site. We then investigated the evolution of crystal structures in both the ambient pressure phase and the high-pressure phase of La3Ni2O7 as a function of doping concentration, revealing inconsistent trends in their evolution with increasing doping levels. Finally, by fitting the bilayer two-orbital model, we propose that doping Pr may reduce the required pressure for the superconductivity of La3Ni2O7. These results not only can help the further experimental search of RP phase nickelate at lower pressure, but also provide a helpful guide for understanding the effect of chemical pressure in an isovalent-doped RP phase nickelate superconductor.

关键词： Crystal atomic structure

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Discovery of high Fe content amorphous alloys with desired soft magnetic properties by incremental machine learning

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Journal of Alloys and Compounds 2025年 1026卷

作者： Tang, Yichuan Zhang, Yin Ma, Ruonan Liu, Shaopeng Li, Silong Wang, Kun Fang, Minxia Cao, Kaiyan Zhou, Chao Cheng, Chuanhui Yang, Sen MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Physics Xi'an Jiaotong University Xi'an710049 China Electric Power Research Institute China Southern Power Grid Guangzhou510663 China

The challenge of increasing Fe content in Fe-based amorphous alloys while maintaining their glass forming ability and thereby achieving high magnetic flux density is an important issue in the field of soft magnetic amorphous alloys. Despite extensive efforts in designing such alloys through high-throughput computational methods, identifying and preparing amorphous alloys with Fe content exceeding 85 at% remains challenging, primarily due to the lack of sustained optimization for high Fe-content compositions. In this study, an updated incremental machine learning approach is employed for the first time to address this issue. Initial models were developed, followed by the designation of a series of high Fe content alloys. Then, models were iteratively refined and optimized based on experimental results, utilizing a k-nearest neighbors classifier with 95.4 % accuracy and a gaussian process regressor with a coefficient of determination of 0.94. As a result, a series new Fe-Si-B-P-C amorphous alloys with Fe content higher than 85 at% are successfully prepared. Among these alloys, the Fe85.5Si2B8.5P2C2 amorphous alloy stands out with the highest Fe content in Fe-Si-B-P-C alloys compared to previous studies, achieving a high magnetic flux density of 1.68 T. The incremental machine learning model allowed for precise component adjustment, achieving a balance between glass forming ability and high Fe content, thereby offering a more accurate method for designing novel Fe-based amorphous alloys. © 2025 Elsevier B.V.

关键词： Glass

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