Dynamical Study of the Origin of the Charge Density Wave in $A$V${}_3$Sb${}_5$ ($A=$K, Rb, Cs) Compounds

Abstract

Systems containing the ideal kagome lattice can exhibit several distinct and novel exotic states of matter. One example of such systems is a recently discovered $A$V${}_3$Sb${}_5$ ($A$ = K, Rb, and Cs) family of compounds. Here, the coexistence of the charge density wave (CDW) and superconductivity is observed. In this paper, we study the dynamic properties of the $A$V${}_3$Sb${}_5$ systems in context of origin of the CDW phase. We show and discuss the structural phase transition from $P6/mmm$ to $C2/m$ symmetry that are induced by the presence of phonon soft modes. We conclude that the CDW observed in this family of compounds is a consequence of the atom displacement, from the high symmetry position of the kagome net, in low-temperature phase. Additionally, using the numerical {\it ab initio} methods, we discuss the charge distribution on the $A$V${}_3$Sb${}_5$ surface. We show that the observed experimental %$4\times 1$ stripe-like modulation of the surface, can be related to surface reconstruction and manifestation of the three dimensional $2\times 2\times 2$ bulk CDW. Finally, the consequence of realization of the $C2/m$ structure on the electronic properties are discussed. We show that the electronic band structure reconstruction and the accompanying modification of density of states correspond well to the experimental data.

13 pages, 7 figures; Supplemental Material: 4 pages, 1 fure, 2 tables

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Cited by in corpus (23)

• Theory of nematic charge orders in kagome metals
• Microscopic nature of the charge-density wave in kagome superconductor RbV${}_3$Sb${}_5$
• Intertwined van-Hove Singularities as a Mechanism for Loop Current Order in Kagome Metals
• Small Fermi pockets intertwined with charge stripes and pair density wave order in a kagome superconductor
• Impact of Sb degrees of freedom on the charge density wave phase diagram of the kagome metal CsV${}_3$Sb${}_5$
• Charge fluctuations above $T_{\mathrm{CDW}}$ revealed by glasslike thermal transport in kagome metals $A$V${}_3$Sb${}_5$ ($A$ = K, Rb, Cs)
• The kagome Hubbard model from a functional renormalization group perspective
• The structure of kagome superconductors CsV${}_3$Sb${}_5$ in the charge density wave states
• Origin of $\pi$-shifted three-dimensional charge density waves in kagome metal AV${}_3$Sb${}_5$
• Phonon collapse and anharmonic melting of the 3D charge-density wave in kagome metals
• Condensation of preformed charge density waves in kagome metals
• Kagome KMn${}_3$Sb${}_5$ metal: Magnetism, lattice dynamics, and anomalous Hall conductivity
• Electrical and thermal transport properties of kagome metals AV${}_3$Sb${}_5$ (A=K, Rb, Cs)
• Anharmonicity and structural phase transition in the Mott insulator Cu${}_2$P${}_2$O${}_7$
• Low temperature phase transitions under CDW state in kagome metals AV3Sb5 (A=Cs,Rb,K): Significance of mix-type Fermi surface electron correlations
• Coherent Phonon Pairs and Rotational Symmetry Breaking of Charge Density Wave Order in the Kagome Superconductor CsV${}_3$Sb${}_5$
• Lattice dynamics study of electron-correlation-induced charge density wave in antiferromagnetic kagome metal FeGe
• Topological Superconducting States and Quasiparticle Transport on Kagome Lattice
• Unveiling the nature of electronic transitions in RbV${}_3$Sb${}_5$ with Avoided Level Crossing $\mu$SR
• Pairing correlation of the Kagome-lattice Hubbard model with the nearest-neighbor interaction
• Stacking-Dependent Van Hove Singularity Shifts in Three-Dimensional Charge Density Waves of Kagome Metals AV${}_3$Sb${}_5$ (A = K, Rb, Cs)
• Low temperature phase of AuSn${}_4$ induced by the van der Waals interactions
• Kagome edge states under lattice termination, spin-orbit coupling, and magnetic order