Electron-phonon coupling in the charge density wave state of 
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Xie, Yaofeng; Li, Yongkai; Bourges, P.; Ivanov, A.; Ye, Zijin; Yin, Jiaxin; Hasan, M. Zahid; Luo, Aiyun; Yao, Yugui; Wang, Zhiwei; Xu, Gang; Dai, Pengcheng

doi:10.1103/physrevb.105.l140501

Cited by 61 publications

(24 citation statements)

References 43 publications

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“…We also find that no soft modes exist along ΓM (See Extended Data Fig. 1a), which is consistent with recent experiments reporting unexpected stability of phonon modes along ΓM at the transition [8,20,22]. Even at T > T * , the lowest M -phonon remains hard unlike Lphonon, excluding a possible preformation of CDW.…”

Section: Phonon Instabilitysupporting

confidence: 92%

“…Owing to the vHS in kagome metals, CDWs occur with decreasing temperature (T ) from normal metallic phase [20,21]. In spite of their well-established presence, a few enigmatic observations raise questions on their formation mechanism.…”

mentioning

confidence: 99%

“…In spite of their well-established presence, a few enigmatic observations raise questions on their formation mechanism. One of anomalous behaviors is the absence of phonon softening in inelastic X-ray [8], neutron [20] and Raman scattering experiments [22] while these results are incompatible with unstable phonon * Email: hand@kias.re.kr modes at M -and L-point of the Brillouin zone (BZ) in recent ab initio calculations [5,23,24]. Moreover, from the fact that the formation energy of CDW (E CDW ) [5] monotonically decreases with the size of the alkali atoms, one could naively expect that the transition temperature for CDW (T CDW ) increases accordingly.…”

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confidence: 99%

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Condensation of preformed charge density waves in kagome metals

Park¹,

Son²

2023

Preprint

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Charge density wave (CDW) is a spontaneous spatial modulation of electric charges in solids whose general microscopic descriptions are yet to be completed. Layered kagome metals of AV3Sb5 (A = K, Rb, Cs) provide a unique chance to realize its emergence intertwined with dimensional effects as well as their special lattice. Here, based on a state-of-the-art molecular dynamics simulation, we uncover that the phase transition to charge ordered states in kagome metals is a condensation process of incoherently preformed CDWs. We demonstrate that charge modulation first preforms on each kagome layer at a well defined temperature but its phase fluctuation proliferates across the entire layers with a 10 5 times slower frequency than typical phonon vibrations until reaching its freezing temperature. We find that the fluctuation is not random but confined to a limited number of states as a consequence of unavoidable degeneracy in stacking layered charge orders. As the size of interfacial alkali atom increases, the fluctuating phases are shown to counterbalance the condensation of orderings, resulting in a maximized transition temperature for RbV3Sb5. Our results resolve several controversial observations on their CDW formations and highlight a crucial role of interlayer interactions for the charge ordering in kagome metals.

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Section: Phonon Instabilitysupporting

confidence: 92%

mentioning

confidence: 99%

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confidence: 99%

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Condensation of preformed charge density waves in kagome metals

Park¹,

Son²

2023

Preprint

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“…Meanwhile, the first-principles DFT calculations show that the CDW transition is related to breathing-phonon modes of the Kagome lattice and the calculated diffraction pattern of the inverse Star of David agrees with the STM experiments [22]. And the recent ARPES [51] the neutron [52] indicate that electron-phonon coupling plays a crucial in the CDW. All the above things imply that the CDW and the superconductivity in CsV 3 Sb 5 arise from different mechanisms.…”

Section: Discussionsupporting

confidence: 68%

Effective six-band model and unconventional spin-singlet pairing in Kagome superconductor CsV₃Sb₅

Bai

Wu²,

Wang³

et al. 2022

New J. Phys.

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Recently synthesized Kagome compounds AV3Sb5 attract great attention due to the unusual coexistence of the topology, charge density wave, and superconductivity. In this work, based on the band structures for CsV3Sb5 in the pristine phase, we construct an effective six-band model for the low-energy processes; utilizing the random phase approximation on the effective six-band model, we show that the E1u ( p wave ) pairing dominates in the region of 0 < U < 0.32 eV, the A2g ( I wave ) in the region of 0.32 < U < 0.75 eV and the E2g ( d wave ) in the region of 0.75 < U < 1 eV. Considering that the correlation in AV3Sb5 is weak or intermediate, these results suggest that pairing symmetry is A2g ( I-wave ) in the CsV3Sb5, which can explain some recent experiments about pairing symmetry.

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“…Stacked vanadium kagome layers in these materials are deemed to give rise to CDWs and SC. The CDW formation in AV 3 Sb 5 is closely tied to the electron-phonon coupling and the electronic band saddle point nesting [21][22][23] . Recently, new hexagonal vanadiumbased kagome metals ScV 6 Sn 6 of large HfFe 6 Ge 6 -type (space group: No.191, P6/mmm at 300 K) family was discovered to undergo a first-order phase transition at around 92 K, reminiscent of the popular CsV 3 Sb 5 system 24 , yet no SC has been observed at low temperatures.…”

Section: Introductionmentioning

confidence: 98%

Optical studies of structural phase transition in the vanadium-based kagome metal ScV6Sn6

Hu¹,

Xu²,

Li³

et al. 2022

Preprint

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In condensed matter physics, materials with kagome lattice exhibit exotic emergent quantum states, including charge density wave (CDW), superconductivity and magnetism. Very recently, hexagonal kagome metal ScV 6 Sn 6 was found to undergo fascinating first-order structural phase transition at around 92 K and a 3×3×3 CDW modulation. The bulk electronic band properties are enlightened for comprehending the origin of the structural phase transition. Here, we perform a optical spectroscopy study on the monocrystalline compound across the transition temperature. The structural transition gives rise to the abrupt changes of optical spectra without observing gap development behavior. The optical measurements revealed a sudden reconstruction of the band structure after transition. We emphasize that the phase transition is of the first order and distinctly different from the conventional density-wave type condensation. Our results provide insight into the origin of the structural phase transition in the new kagome metal compound.

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Electron-phonon coupling in the charge density wave state of CsV3Sb5

Cited by 61 publications

References 43 publications

Condensation of preformed charge density waves in kagome metals

Condensation of preformed charge density waves in kagome metals

Effective six-band model and unconventional spin-singlet pairing in Kagome superconductor CsV₃Sb₅

Optical studies of structural phase transition in the vanadium-based kagome metal ScV6Sn6

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Electron-phonon coupling in the charge density wave state of CsV3Sb5

Cited by 61 publications

References 43 publications

Condensation of preformed charge density waves in kagome metals

Condensation of preformed charge density waves in kagome metals

Effective six-band model and unconventional spin-singlet pairing in Kagome superconductor CsV3Sb5

Optical studies of structural phase transition in the vanadium-based kagome metal ScV6Sn6

Contact Info

Product

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Effective six-band model and unconventional spin-singlet pairing in Kagome superconductor CsV₃Sb₅