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Charge regulation by ferromagnetic metal/LiF spin-polarized interface for high-performance Li metal anodes

Rare metals 2024年第3期43卷 995-1005页

作者： Ming-Yang Feng Shuang Zhou Yi-Fang Zhang Ya-Ping Wang Chun-Yan Fu Jian-Wen Li Yuan-Lang Wan Zhi-Jia Zhang Yong Jiang An-Qiang Pan State Key Laboratory of Powder metallurgy School of Materials Science and EngineeringCentral South UniversityChangsha410083China State Key Laboratory of Separation Membranes and Membrane Processes Tianjin Key Laboratory of Advanced Fibers and Energy StorageSchool of Material Science and EngineeringTiangong UniversityTianjin300387China School of Materials Science and Engineering Hebei University of TechnologyTianjin300130China

The interfacial characteristics of the Li metal anode(LMA)play a crucial role in its overall *** various materials being applied to modify the interface,a comprehensive understanding of their specific mechanisms remains to be ***,we have prepared carbon cloth(CC)frameworks with their surfaces modified using ferromagnetic metal/LiF heterogeneous films(T^(M)-LiF-CC)as the substrate for LMA,which exhibit superior electrochemical *** ferromagnetic Co as a representative example,our study demonstrates that the enhanced performance of Co-LiF-CC,compared to bare CC,is attributed to the spinpolarized interface contributed by the Co/LiF *** and LiF play individual roles in redistributing electrons and Li^(+)to promote homogeneous Li *** nanoparticles play a crucial role in generating strong surface capacitance by storing electrons in spin-split bands,while LiF,with low surface diffusion barriers,ensures fast transportation of Li^(+).The Co-LiF-CC@Li electrodes deliver long lives of 7400 and 3600 h at 1 and 2 mA·cm^(-2)in symmetric cells,respectively;moreover,they enable full batteries with high and durable capacities,particularly when the N/P ratios are low(3.3 or even 1.7).

关键词： Lithium metal anode Interfacial charge ferromagnetic metal Lithium fluoride Spin polarization

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Ab initio nonadiabatic molecular dynamics study on spin–orbit coupling induced spin dynamics in ferromagnetic metals

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Chinese Physics B 2024年第1期33卷 156-163页

作者：朱万松郑镇法郑奇靖赵瑾 Department of Physics and ICQD/Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of ChinaHefei 230026China Department of Physics and Astronomy University of PittsburghPittsburghPennsylvania 15260USA

Understanding the photoexcitation induced spin dynamics in ferromagnetic metals is important for the design of photo-controlled ultrafast spintronic *** this work,by the ab initio nonadiabatic molecular dynamics simulation,we have studied the spin dynamics induced by spin–orbit coupling(SOC)in Co and Fe using both spin-diabatic and spin-adiabatic *** Co system,it is found that the Fermi surface(E_(F))is predominantly contributed by the spin-minority *** SOC induced spin flip will occur for the photo-excited spin-majority electrons as they relax to the E_(F),and the spin-minority electrons tend to relax to the EFwith the same spin through the electron–phonon coupling(EPC).The reduction of spin-majority electrons and the increase of spin-minority electrons lead to demagnetization of Co within100 *** contrast,in Fe system,the E_(F) is dominated by the spin-majority *** this case,the SOC induced spin flip occurs for the photo-excited spin-minority electrons,which leads to a magnetization *** we move the E_(F) of Fe to higher energy by 0.6eV,the E_(F) will be contributed by the spin-minority states and the demagnetization will be observed *** work provides a new perspective for understanding the SOC induced spin dynamics mechanism in magnetic metal systems.

关键词： nonadiabatic molecular dynamics spin dynamics spin–orbit coupling ferromagnetic metal

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一种新型铬基砷化物La3CrAs5的高压合成、结构表征及物性研究

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Science China Materials 2020年第9期63卷 1750-1758页

作者：段磊望贤成詹方洋张俊胡志伟赵建发李文敏曹立朋邓正于润泽林宏基 Chien-Te.Chen 王锐靳常青 Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190 School of Physics University of Chinese Academy of SciencesBeijing 100190 Institute for Structure and Function&Department of Physics Chongqing UniversityChongqing 400044 Max Plank Institute for Chemical Physics of Solids Dresden D-01187 National Synchrotron Radiation Research Center Hsinchu 30076 Materials Research Lab at Songshan Lake Dongguan 523808

本文中,我们利用高温高压法,在La-Cr-As体系中发现并成功制备了第一个新的三元化合物材料La3CrAs5.该化合物属于六方反Hf5Sn3Cu型结构,其空间群为P3/mcm,晶格参数为a=b=8.9845A,c=***3CrAs5的晶体结构含有沿c轴方向的共面连接CrAs6八面... 详细信息

本文中,我们利用高温高压法,在La-Cr-As体系中发现并成功制备了第一个新的三元化合物材料La3CrAs5.该化合物属于六方反Hf5Sn3Cu型结构,其空间群为P3/mcm,晶格参数为a=b=8.9845A,c=***3CrAs5的晶体结构含有沿c轴方向的共面连接CrAs6八面体链,这些一维自旋链在ab平面内以三角格子形式进行排列,链与链之间的距离为8.9845A.研究表明,La3CrAs5具有三维金属导电性质,并且在低温条件下遵循费米液行为;另外,La3CrAs5中CrAs6自旋链由于巡游电子关联,在50K发生三维铁磁相变.理论计算表明,La对费米面附近态密度的贡献是不可忽略的,导致La3CrAs5成为了一个三维金属.此外,我们还计算了晶体轨道哈密顿数(-COHP)来解释La3CrAs5结构的整体稳定性以及化学键特征.

关键词： Cr-based arsenide ferromagnetic metal high pressure synthesis spin chain

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