In Kagome metal CsV$_3$Sb$_5$, multiple intertwined orders are accompanied by both electronic and structural instabilities. These exotic orders have attracted much recent attention, but their origins remain elusive. The newly discovered CsTi$_3$Bi$_5$ is a Ti-based Kagome metal to parallel CsV$_3$Sb$_5$. Here, we report angle-resolved photoemission experiments and first-principles calculations on pristine and Cs-doped CsTi$_3$Bi$_5$ samples. Our results reveal that the van Hove singularity (vHS) in CsTi$_3$Bi$_5$ can be tuned in a large energy range without structural instability, different from that in CsV$_3$Sb$_5$. As such, CsTi$_3$Bi$_5$ provides a complementary platform to disentangle and investigate the electronic instability with a tunable vHS in Kagome metals.
The kagomé metals RbTi$_3$Bi$_5$ and CsTi$_3$Bi$_5$ were synthesized both as polycrystalline powders by heating the elements an argon atmosphere and as single crystals grown using a self-flux method. The compounds crystallize in the hexagonal crystal system isotypically to KV$_3$Sb$_5$ (P6/mmm, Z = 1, CsTi3Bi5: a = 5.7873(1) Å, c = 9.2062(1) Å; RbTi3Bi5: a = 5.773(1) Å, c = 9.065(1) Å). Titanium atoms form a kagomé net with bismuth atoms in the hexagons as well as above and below the triangles. The alkali metal atoms are coordinated by 12 bismuth atoms and form AlB$_2$-like slabs between the k…
Quantum Oscillations in kagome metals CsTi3Bi5 and RbTi3Bi5
Washington University in St. Louis（华盛顿大学圣路易斯分校）；National High Magnetic Field Laboratory, Florida State University（佛罗里达州立大学国家高磁场实验室）；Weizmann Institute of Science（魏茨曼科学研究所）；Beijing National Center for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所凝聚态物理北京国家中心）；University of Chinese Academy of Sciences（中国科学院大学）
Transition-metal-based kagome materials at van Hove filling are a rich frontier for the investigation of novel topological electronic states and correlated phenomena. To date, in the idealized two-dimensional kagome lattice, topologically nontrivial Dirac surface states (TDSSs) have not been unambiguously observed, and the manipulation of TDSSs and van Hove singularities (VHSs) remains largely unexplored. Here, we reveal TDSSs originating from a Z${_2}$ bulk topology and identify multiple VHSs near the Fermi level ($\textit{E}$${_F}$) in magnetic kagome material GdV${_6}$Sn${_6}$. Using in-sit…
Magnetic fluctuations near the Van Hove singularity in the kagome-lattice Hubbard model at finite doping
Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University（燕山大学理学院河北省微观结构材料物理重点实验室）；School of Physics and Astronomy, and Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University（北京师范大学物理学系与教育部多尺度自旋物理重点实验室）
Incoherent Spectral Weight Emerging from a Van Hove Singularity in a Kagome Metal
Donostia International Physics Center (DIPC)（多诺斯蒂亚国际物理中心）；University of the Basque Country (UPV/EHU)（巴斯克大学）；Aalto University School of Science（阿尔托大学理学院）；Department of Physics, University of Science and Technology of China（中国科学技术大学物理系）；CIC nanoGUNE（nanoGUNE创新中心）；Max Planck Institute for Chemical Physics of Solids（马克斯·普朗克固体化学物理研究所）；Diamond Light Source Ltd（钻石光源有限公司）
The recently discovered layered kagome metals AV$_3$Sb$_5$ (A=K, Rb, Cs) exhibit diverse correlated phenomena, which are intertwined with a topological electronic structure with multiple van Hove singularities (VHSs) in the vicinity of the Fermi level. As the VHSs with their large density of states enhance correlation effects, it is of crucial importance to determine their nature and properties. Here, we combine polarization-dependent angle-resolved photoemission spectroscopy with density functional theory to directly reveal the sublattice properties of 3d-orbital VHSs in CsV$_3$Sb$_5$. Four V…
Recent experiments on kagome metals AV$_3$Sb$_5$ (A=K,Rb,Cs) [M. Kang et al., Nat. Phys. 18, 301-308 (2022)] identify twofold van Hove singularities (TvHS) with opposite concavity near the Fermi energy, generating two approximately hexagonal Fermi surfaces -- one electron-like and the other hole-like. Here we propose that a TvHS generates a novel time-reversal symmetry breaking excitonic order -- arising due to bound pairs of electrons and holes located at opposite concavity van Hove singularities. We introduce a minimal model for the TvHS and investigate interaction induced many-body instabil…
Common sublattice-pure van Hove singularities in the kagome superconductors $\textit{A}$V$_{3}$Sb$_{5}$ ($\textit{A}$ = K, Rb, Cs)
Chongqing University（重庆大学）；Hefei National Laboratory（合肥国家实验室）；RIKEN Interdisciplinary Theoretical and Mathematical Sciences (iTHEMS)（理化学科际理论数学科学研究所(iTHEMS)）；University of California Santa Barbara（加州大学圣塔芭芭拉分校）；Paul Scherrer Institute（保罗谢尔研究所）；Chinese Academy of Sciences（中国科学院）；Zhejiang University（浙江大学）
First-principles density functional theory calculations are performed to understand the electronic structure and interaction parameters for recently discovered superconducting Kagome metal CsV$_3$Sb$_5$. A systematic analysis of the tight-binding parameters based on maximally localized Wannier function method demonstrates that the out-of-plane Sb$^{\rm out}$-$p$ orbital is a key element in complete description of the three Van Hove singularity structures known in this material at $M$ point near the Fermi level. Further, the correlation strengths are also largely determined by Sb$^{\rm out}$-$p…
The Hubbard model on the kagome lattice is presently often considered as a minimal model to describe the rich low-temperature behavior of AV$_{3}$Sb$_{5}$ compounds (with A=K, Rb, Cs), including charge-density waves (CDWs), superconductivity, and possibly broken time-reversal symmetry. Here, we investigate, via variational Jastrow-Slater wave functions, the properties of its ground state when both onsite $U$ and nearest-neighbor $V$ Coulomb repulsions are considered at the van Hove filling. Our calculations reveal the presence of different interaction-driven CDWs and, contrary to previous reno…
The layered vanadium antimonides AV3Sb5 (A = K, Rb, Cs) are a recently discovered family of topological kagome metals with a rich phenomenology of strongly correlated electronic phases including charge order and superconductivity. Understanding how the singularities inherent to the kagome electronic structure are linked to the observed many-body phases is a topic of great interest and relevance. Here, we combine angle-resolved photoemission spectroscopy and density functional theory to reveal multiple kagome-derived van Hove singularities (vHs) coexisting near the Fermi level of CsV3Sb5 and an…
The electronic orders in Hubbard models on a Kagome lattice at van Hove filling are of intense current interest and debate. We study this issue using the singular-mode functional renormalization group theory. We discover a rich variety of electronic instabilities under short range interactions. With increasing on-site repulsion $U$, the system develops successively ferromagnetism, intra unit-cell antiferromagnetism, and charge bond order. With nearest-neighbor Coulomb interaction $V$ alone (U=0), the system develops intra-unit-cell charge density wave order for small $V$, s-wave superconductiv…
We investigate the competing Fermi surface instabilities in the Kagome tight-binding model. Specifically, we consider onsite and short-range Hubbard interactions in the vicinity of van Hove filling of the dispersive Kagome bands where the Fermiology promotes the joint effect of enlarged density of states and nesting. The sublattice interference mechanism [Kiesel and Thomale, Phys. Rev. B Rapid Comm., in press.] allows us to explain the intricate interplay between ferromagnetic fluctuations and other ordering tendencies. On the basis of functional renormalization group used to obtain an adequat…
Motivated by the recent discovery of unconventional charge order, we develop a theory of electronically mediated charge density wave formation in the family of kagome metals $A$V$_3$Sb$_5$ ($A=$K,Rb,Cs). The intertwining of van Hove filling and sublattice interference suggests a three-fold charge density wave instability at T$_{\text{CDW}}$. From there, the charge order forming below T$_{\text{CDW}}$ can unfold into a variety of phases capable of exhibiting orbital currents and nematicity. We develop a Ginzburg Landau formalism to stake out the parameter space of kagome charge order. We find a…
We investigate how the real and imaginary charge density waves interplay at the Van Hove singularity on the hexagonal lattices. A phenomenological analysis indicates the formation of $3Q$ complex orders at all three nesting momenta. Under a total phase condition, unequal phases at the three momenta break the rotation symmetry generally. The $3Q$ complex orders constitute a rich Haldane-model phase diagram. When effective time-reversal symmetries arise under 1-site translations, the Dirac semimetals are protected. The breakdown of these symmetries gaps the Dirac points and leads to the trivial …
The recent discovery of AV$_3$Sb$_5$ (A=K,Rb,Cs) has uncovered an intriguing arena for exotic Fermi surface instabilities in a kagome metal. Among them, superconductivity is found in the vicinity of multiple van Hove singularities, exhibiting indications of unconventional pairing. We show that the sublattice interference mechanism is central to understanding the formation of superconductivity in a kagome metal. Starting from an appropriately chosen minimal tight-binding model with multiple with multiple van Hove singularities close to the Fermi level for AV$_3$Sb$_5$, we provide a random phase…
We investigate the electronic structure of the new family of kagome metals AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) using first-principles calculations. We analyze systematically the evolution of the van Hove singularities (vHss) across the entire family upon applied pressure and hole doping, specifically focusing on the two vHss closer to the Fermi energy. With pressure, these two saddle points shift away from the Fermi level. At the same time, the Fermi surface undergoes a large reconstruction with respect to the Sb bands while the V bands remain largely unchanged, pointing to the relevant role of t…
Kagome metals with charge density wave (CDW) order exhibit a broad spectrum of intriguing quantum phenomena. The recent discovery of the novel kagome CDW compound ScV$_6$Sn$_6$ has spurred significant interest. However, understanding the interplay between CDW and the bulk electronic structure has been obscured by a profusion of surface states and terminations in this quantum material. Here, we employ photoemission spectroscopy and potassium dosing to elucidate the complete bulk band structure of ScV$_6$Sn$_6$, revealing multiple van Hove singularities near the Fermi level. We surprisingly disc…
Band-Saddle-Point Engineering in Mixed $A$-site $A$V$_3$Sb$_5$ Kagome Metals
Physikalisches Institut, Universität Stuttgart（斯图加特大学第一物理研究所）；Felix Bloch Institute for Solid-State Physics, Leipzig University（莱比锡大学费利克斯·布洛赫固体物理研究所）；Materials Department, University of California Santa Barbara（加州大学圣塔芭芭拉分校材料系）；Materials Science and Technology Division, Oak Ridge National Laboratory（橡树岭国家实验室材料科学与技术部）；Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research（德累斯顿罗森多夫亥姆霍兹中心离子束物理与材料研究所）
We investigate the electronic instabilities in a Kagome lattice with Rashba spin-orbital coupling by the unbiased singular-mode functional renormalization group. At the parent $1/3$-filling, the normal state is a quantum spin Hall system. Since the bottom of the conduction band is near the van Hove singularity, the electron-doped system is highly susceptible to competing orders upon electron interactions. The topological nature of the parent system enriches the complexity and novelty of such orders. We find $120^o$-type intra-unitcell antiferromagnetic order, $f$-wave superconductivity and chi…
