Electronic structure of VSb kagome metals
arXiv:2502.17590 · doi:10.1103/PhysRevB.111.235114
Abstract
The kagome metals VSb ( K, Cs, Rb) have become a fascinating materials platform following the discovery of many novel quantum states due to the interplay between electronic correlation, topology, and geometry. Understanding their physical origin requires constructing effective theories that capture the low-energy electronic structure and electronic interactions. While the band structure calculated by density functional theory (DFT) broadly agrees with experiments in the unbroken symmetry phase, the multiorbital nature challenges a proper understanding of the band structure and its description by tight-binding models. Here, we point out the unusual and puzzling properties of the DFT electronic structure, including the sublattice type of the van Hove singularities, the geometric shape of the Fermi surface, and the orbital content of the low-energy band dispersion, which cannot be described by the commonly used one-orbital or multiorbital kagome tight-binding models. We address these fundamental puzzles and develop an extended Slater-Koster formalism that can successfully resolve these issues. We discover the important role of site-symmetry and interorbital hopping structure and provide a concrete multiorbital tight-binding model description of the electronic structure for VSb and the family of ``135'' compounds with other transition metals. This is a crucial step toward studying the effects of electron-electron interactions for the correlated and topological states in kagome metals and superconductors.
14 pages, 9 figures
References in corpus (24)
- CsVSb: a topological kagome metal with a superconducting ground state
- Unconventional Fermi surface instabilities in the Kagome Hubbard Model
- Three-state nematicity and magneto-optical Kerr effect in the charge density waves in kagome superconductors
- Chern Fermi pocket, topological pair density wave, and charge-4e and charge-6e superconductivity in kagome superconductors
- Superconducting diode effect and interference patterns in Kagome CsV3Sb5
- Superconductivity emerging from density-wave-like order in a correlated kagome metal
- Loop currents in VSb kagome metals: multipolar and toroidal magnetic orders
- High Resolution Polar Kerr Effect Studies of CsVSb: Tests for Time Reversal Symmetry Breaking Below the Charge Order Transition
- Chiral kagome superconductivity modulations with residual Fermi arcs in KV3Sb5 and CsV3Sb5
- Chiral excitonic order from twofold van Hove singularities in kagome metals
- Observation of Flat Band, Dirac Nodal Lines and Topological Surface States in Kagome Superconductor CsTiBi
- Revealing the immediate formation of two-fold rotation symmetry in charge-density-wave state of Kagome superconductor CsVSb by optical polarization rotation measurement
- Charge-loop current order and Z3 nematicity mediated by bond-order fluctuations in kagome metal AV3Sb5 (A=Cs,Rb,K)
- Non-trivial band topology and orbital-selective electronic nematicity in a new titanium-based kagome superconductor
- Superconductivity and orbital-selective nematic order in a new titanium-based kagome metal CsTi3Bi5
- Loop-current charge density wave driven by long-range Coulomb repulsion on the kagome lattice
- Charge-4e and charge-6e flux quantization and higher charge superconductivity in kagome superconductor ring devices
- Crucial role of out-of-plane Sb- orbitals in Van Hove singularity formation and electronic correlation for superconducting Kagome metal CsVSb
- Unconventional Optical Rotation in the Charge Ordered State of Kagome Metal CsV3Sb5
- Intertwined van-Hove Singularities as a Mechanism for Loop Current Order in Kagome Metals
- Origin of -shifted three-dimensional charge density waves in kagome metal AVSb
- Two elementary band representation model, Fermi surface nesting, and surface topological superconductivity in VSb ()
- Inversion and Tunability of Van Hove Singularities in VSb ( = K, Rb, and Cs) kagome metals
- Stacking-Dependent Van Hove Singularity Shifts in Three-Dimensional Charge Density Waves of Kagome Metals AVSb (A = K, Rb, Cs)