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تسجيل مستخدم جديدElectronic Nature of Charge Density Wave and Electron-Phonon Coupling in Kagome Superconductor KV$_3$Sb$_5$
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The Kagome superconductors AV$_3$Sb$_5$ (A=K, Rb, Cs) have received enormous attention due to their nontrivial topological electronic structure, anomalous physical properties and superconductivity. Unconventional charge density wave (CDW) has been detected in AV$_3$Sb$_5$ that is found to be intimately intertwined with the anomalous Hall effect and superconductivity. High-precision electronic structure determination is essential to understand the origin of the CDW transition and its interplay with electron correlation, topology and superconductivity, yet, little evidence has been found about the impact of the CDW state on the electronic structure in AV$_3$Sb$_5$. Here we unveil electronic nature of the CDW phase in our high-resolution angle-resolved photoemission (ARPES) measurements on KV$_3$Sb$_5$. We have observed CDW-induced Fermi surface reconstruction and the associated band structure folding. The CDW-induced band splitting and the associated gap opening have been revealed at the boundary of the pristine and reconstructed Brillouin zone. The Fermi surface- and momentum-dependent CDW gap is measured for the first time and the strongly anisotropic CDW gap is observed for all the V-derived Fermi surface sheets. In particular, we have observed signatures of the electron-phonon coupling for all the V-derived bands. These results provide key insights in understanding the nature of the CDW state and its interplay with superconductivity in AV$_3$Sb$_5$ superconductors.
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I search for the ground state structures of the kagome metals KV$_3$Sb$_5$, RbV$_3$Sb$_5$, and CsV$_3$Sb$_5$ using first principles calculations. Group-theoretical analysis shows that there are seventeen different distortions that are possible due to
the phonon instabilities at the $M$ $(frac{1}{2},0,0)$ and $L$ $(frac{1}{2},0,frac{1}{2})$ points in the Brilouin zone of the parent $P6/mmm$ phase of these materials. I generated these structures for the three compounds and performed full structural relaxations that minimize the atomic forces and lattice stresses. I find that the $Fmmm$ phase with the order parameter $M_1^+$ $(a,0,0)$ $+$ $L_2^-$ $(0,b,b)$ has the lowest energy among these possibilities in all three compounds. However, the $Fmmm$ exhibits a dynamical instability at its $Z$ $(0,0,1)$ point, which corresponds to the $A$ $(0,0,frac{1}{2})$ point in the parent $P6/mmm$ phase. Condensation of this instability leads to a base-centered orthorhombic structure with the space group $Cmcm$ and $4Q$ order parameter $M_1^+$ $(a,0,0)$ $+$ $L_2^-$ $(0,b,b)$ $+$ $A_6^+$ $(frac{1}{2}c,frac{-sqrt{3}}{2}c)$.
The family of metallic kagome compounds $A$V$_3$Sb$_5$ ($A$=K, Rb, Cs) was recently discovered to exhibit both superconductivity and charge order. The nature of the charge-density wave (CDW) phase is presently unsettled, which complicates the interpr
etation of the superconducting ground state. In this paper, we use group-theory and density-functional theory (DFT) to derive and solve a phenomenological Landau model for this CDW state. The DFT results reveal three unstable phonon modes with the same in-plane momentum but different out-of-plane momenta, whose frequencies depend strongly on the electronic temperature. This is indicative of an electronically-driven CDW, stabilized by features of the in-plane electronic dispersion. Motivated by the DFT analysis, we construct a Landau free-energy expansion for coupled CDW order parameters with wave-vectors at the $M$ and $L$ points of the hexagonal Brillouin zone. We find an unusual trilinear term coupling these different order parameters, which can promote the simultaneous condensation of both CDWs even if the two modes are not nearly-degenerate. We classify the different types of coupled multi-$bf{Q}$ CDW orders, focusing on those that break the sixfold rotational symmetry and lead to a unit-cell doubling along all three crystallographic directions, as suggested by experiments. We determine a region in parameter space, characterized by large nonlinear Landau coefficients, where these phases - dubbed staggered tri-hexagonal and staggered Star-of-David - are the leading instabilities of the system. Finally, we discuss the implications of our results for the kagome metals.
CsV$_3$Sb$_5$ is a newly discovered Kagome superconductor that attracts great interest due to its topological nontrivial band structure and the coexistence of superconductivity and charge-density-wave (CDW) with many exotic properties. Here, we repor
t the detailed characterization of the CDW gap in high-quality CsV$_3$Sb$_5$ single crystals using high-resolution angle-resolved photoemission spectroscopy. We find that the CDW gap is strongly momentum dependent. While gapped around the $M$ point, the electronic states remain gapless around the $Gamma$ point and along the $Gamma$-$K$ direction. Such momentum dependence indicates that the CDW is driven by the scattering of electrons between neighboring $M$ points, where the band structure hosts multiple saddle points and the density of state diverges near the Fermi level. Our observations of the partially gapped Fermi surface and strongly momentum-dependent CDW gap not only provide a foundation for uncovering the mechanism of CDW in CsV$_3$Sb$_5$, but also shed light on the understanding of how the CDW coexists with superconductivity in this topological Kagome superconductor.
Recently, intensive studies have revealed fascinating physics, such as charge density wave and superconducting states, in the newly synthesized kagome-lattice materials $A$V$_3$Sb$_5$ ($A$=K, Rb, Cs). Despite the rapid progress, fundamental aspects l
ike the magnetic properties and electronic correlations in these materials have not been clearly understood yet. Here, based on the density functional theory plus the single-site dynamical mean-field theory calculations, we investigate the correlated electronic structure and the magnetic properties of the KV$_3$Sb$_5$ family materials in the normal state. We show that these materials are good metals with weak local correlations. The obtained Pauli-like paramagnetism and the absence of local moments are consistent with recent experiment. We reveal that the band crossings around the Fermi level form three groups of nodal lines protected by the spacetime inversion symmetry, each carrying a quantized $pi$ Berry phase. Our result suggests that the local correlation strength in these materials appears to be too weak to generate unconventional superconductivity, and non-local electronic correlation might be crucial in this kagome system.
Using first-principles calculations, we identify the origin of the observed charge density wave (CDW) formation in a layered kagome metal CsV$_3$Sb$_5$. It is revealed that the structural distortion of kagome lattice forming the trimeric and hexameri
c V atoms is accompanied by the stabilization of quasimolecular states, which gives rise to the opening of CDW gaps for the V-derived multibands lying around the Fermi level. This Jahn-Teller-like instability having the local lattice distortion and its derived quasimolecular states is a driving force of the CDW order. Specifically, the saddle points of multiple Dirac bands near the Fermi level, located at the $M$ point, are hybridized to disappear along the $k_z$ direction, therefore not supporting the widely accepted Peierls-like electronic instability due to Fermi surface nesting. It is further demonstrated that applied hydrostatic pressure significantly reduces the interlayer spacing to destabilize the quasimolecular states, leading to a disappearance of the CDW phase at a pressure of ${sim}$2 GPa. The presently proposed underlying mechanism of the CDW order in CsV$_3$Sb$_5$ can also be applicable to other isostructural kagome lattices such as KV$_3$Sb$_5$ and RbV$_3$Sb$_5$.
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