CsV3Sb5 kagome lattice holds the promise for manifesting electron correlation, topology and superconducting. However, by far only three CsV3Sb5-like kagome materials have been experimentally spotted. In this work, we enlarge this family of materials to 1386 compounds via element species substitution, and the further screening process suggests that 28 promising candidates have superior thermodynamic stability, hence they are highly likely to be synthesized. Moreover, these compounds possess several identical electronic structures, and can be categorized into five non-magnetic and three magnetic groups accordingly. It is our hope that this work can greatly expand the viable phase space of the CsV3Sb5-like materials for investigating or tuning the novel quantum phenomena in kagome lattice.
High-throughput screening of Half-antiperovskites with a stacked kagome lattice
半反钙钛矿(HAP)是一类由堆叠的可果美晶格组成的材料,因此具有奇异的磁性和电子态。我们进行高通量计算的基础上的密度泛函理论(DFT)和原子自旋动力学(ASD)模拟预测稳定的磁性HAPs M $_3$ X $_2$ Z $_2$(M = Cr,Mn,Fe,Co和Ni; X是从Li到Bi的元素之一,除了稀有气体和4 $f$稀土金属; Z = S,Se和Te),与结晶和机械稳定性评估。此外,磁基态是通过利用DFT计算结合ASD模拟得到的。原子力显微镜kagome晶格中存在的自旋阻挫表现为面内FM和AFM耦合的竞争行为。对于总数为930 HAP组合物考虑,我们已经发现了23个化合物,稳定在非共线反铁磁(AFM)状态和11个化合物,具有铁磁(FM)秩序。
Effect of superconductivity by Nb and V substitution in kagome CaPd5
Henan Normal University(河南师范大学);Suzhou University of Science and Technology(苏州科技大学);East China Normal University(华东师范大学);Jinan University(暨南大学);Institute of Physics, Chinese Academy of Sciences(中国科学院物理研究所)
Strongly Entangled Kondo and Kagome Lattices and the Emergent Magnetic Ground State in Heavy-Fermion Kagome Metal YbV$_6$Sn$_6$
Leibniz Institute for Solid State and Materials Research, IFW Dresden(德累斯顿莱布尼茨固体与材料研究所);Joint Laboratory ``Functional Quantum Materials(柏林同步辐射光源BESSY II功能量子材料联合实验室);BESSY II(陕西师范大学);Shaanxi Normal University(中国科学院物理研究所凝聚态物理国家实验室);Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences(中国科学院大学);University of Chinese Academy of Sciences(中国人民公安大学);People's Public Security University of China(中国人民大学);Renmin University of China(马克斯·普朗克固体化学物理研究所);Max Planck Institute for Chemical Physics of Solids(国际理论物理中心);International Centre for Theoretical Physics (ICTP)(江汉大学);Jianghan University(华中科技大学);Huazhong University of Science and Technology(圣塞巴斯蒂安国际物理中心);Donostia International Physics Center (DIPC)
First-Principles Study of Magnetism, Electronic Structure, and Bonding in Nb-Mn-Ge Kagome Compounds
Ames National Laboratory, U.S. Department of Energy, Iowa State University(艾姆斯国家实验室,美国能源部,爱荷华州立大学);Department of Physics and Astronomy, Iowa State University(爱荷华州立大学物理与天文系);Department of Physics, Xiamen University(厦门大学物理系)
The giant anomalous Hall and Nernst effects in Kagome permanent magnets RCo5
School of Physics & Astronomy and Center for Advanced Quantum Studies, Beijing Normal University(北京师范大学物理与天文学学院及先进量子研究中心);Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University(北京师范大学多尺度自旋物理教育部重点实验室)
Flat bands, non-trivial band topology and electronic nematicity in layered kagome-lattice RbTi$_3$Bi$_5$
含3个$d$过渡金属的层状Kagome晶格材料为研究几何挫折、能带拓扑和其他新的有序态提供了一个肥沃的操场。具有代表性的一类材料AV $_3$ Sb $_5$(A=K,Rb,Cs)已被证明具有各种非常规相,如超导性、非平凡的$\mathbb{Z}_2$能带拓扑和电子向列性,它们与多个交错的电荷密度波(CDW)交织在一起。然而,这些新状态之间的相互作用及其机制仍然是难以捉摸的。近年来,等结构的钛基单晶ATi $_3$ Bi $_5$(A=K,Rb,Cs)的发现,为解开kagome晶格中这些复杂的新态提供了一个理想的机会。本文采用高分辨角分辨光电子能谱和第一性原理计算相结合的方法,系统地研究了RbTi $_3$ Bi $_5$的低激发态电子结构.我们首次在实验上证明了平坦带和多个非平凡拓扑态的共存,包括其中的第二类Dirac节线和非平凡$\mathbb{Z}_2$拓扑表面态.此外,我们的研究结果以及提供的提示,旋转对称性破缺的RbTi $_3$ Bi $_5$,表明电子结构的方向性和可能出现的纯电子向列性在这个新的家庭的可果美化合物,这可能提供重要的见解相关的可果美金属的电子向列相。
Kagome Topology in Two-Dimensional Noble-Metal Monolayers
Institute of Physics and International Center of Physics, University of Brasília(巴西利亚大学物理研究所和国际物理中心);Computational Materials Laboratory, LCCMat, Institute of Physics, University of Brasília(巴西利亚大学物理学院计算材料实验室);Modeling and Molecular Simulation Group, São Paulo State University (UNESP), School of Sciences(圣保罗州立大学理学院建模与分子模拟小组);Department of Applied Physics and Center for Computational Engineering and Sciences, State University of Campinas(坎皮纳斯州立大学应用物理系和计算工程科学中心)
Altermagnetism, Kagome Flat Band, and Weyl Fermion States in Magnetically Intercalated Transition Metal Dichalcogenides
University of Missouri(密苏里大学);National Cheng Kung University(国立成功大学);Center for Quantum Frontiers of Research and Technology (QFort)(量子前沿研究与技术中心);National Center for Theoretical Sciences(国家理论科学中心)
A Kagome-Derived Mosaic Lattice Family A3V9Te13 (A = Cs, Rb) with Tunable Strong Electronic Correlations
Tsung-Dao Lee Institute, Shanghai Jiao Tong University(上海交大李政道研究所);School of Physics and Astronomy, Shanghai Jiao Tong University(上海交通大学物理与天文学院);Shenzhen Institute for Quantum Science and Engineering, Southern University of Science and Technology(南方科技大学量子科学工程学院);International Quantum Academy(国际量子科学院)
Systematic cRPA study of two-dimensional MA$_2$Z$_4$ materials: From unconventional screening to correlation-driven instabilities
University of Guilan(吉兰大学);Martin Luther University Halle-Wittenberg(马丁·路德·哈雷-维滕贝格大学);Sharif University of Technology(沙里夫理工大学);RWTH Aachen University(亚琛工业大学)
Observation of Magnetic-Anisotropy Crossover and High-Temperature Skyrmions in the Dirac Magnet Fe3Ge with a Distorted Kagome Lattice
Zhejiang University of Technology(浙江工业大学);Fudan University(复旦大学);Nanjing University of Posts and Telecommunications(南京邮电大学);Ningbo University(宁波大学);Academia Sinica(中央研究院);Shanghai University(上海大学);Suzhou University of Technology(苏州科技大学);Qufu Normal University(曲阜师范大学);National Taiwan Normal University(台湾师范大学);Zhejiang University(浙江大学);Shanghai Jiao Tong University(上海交通大学)