Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV3Sb5

Noah Ratcliff; Lily Hallett; Brenden R. Ortiz; Stephen D. Wilson; John W. Harter

doi:10.1103/PhysRevMaterials.5.L111801

Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV3Sb5

Noah Ratcliff, Lily Hallett, Brenden R. Ortiz, Stephen D. Wilson, John W. Harter

Research output: Contribution to journal › Article › peer-review

85 Scopus citations

Abstract

The recent discovery of the AV3Sb5 (A=K, Rb, Cs) material family offers an exciting opportunity to investigate the interplay of correlations, topology, and superconductivity in kagome metals. The low-energy physics of these materials is dominated by an unusual charge density wave phase, but little is understood about the true nature of the order parameter. In this work, we use a combination of ultrafast coherent phonon spectroscopy and first-principles density functional theory calculations to investigate the charge density wave order in CsV3Sb5. We find that the charge density wave is the result of a simultaneous condensation of three optical phonon modes at one M and two L points. This distortion can be described as tri-hexagonal ordering with an interlayer modulation along the c axis. It breaks the C6 rotational symmetry of the crystal and may offer a natural explanation for reports of uniaxial order at lower temperatures in this material family.

Original language	English
Article number	L111801
Journal	Physical Review Materials
Volume	5
Issue number	11
DOIs	https://doi.org/10.1103/PhysRevMaterials.5.L111801
State	Published - Nov 2021
Externally published	Yes

Funding

We would like to thank Sam Teicher and Hengxin Tan for helpful discussions. This work was supported by the National Science Foundation (NSF) through Enabling Quantum Leap: Convergent Accelerated Discovery Foundries for Quantum Materials Science, Engineering, and Information (Q-AMASE-i): Quantum Foundry at UC Santa Barbara (DMR-1906325). Use was made of computational facilities purchased with funds from the NSF (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR-1720256) at UC Santa Barbara. L.H. acknowledges support from the Roy T. Eddleman Center for Quantum Innovation at UC Santa Barbara. B.R.O. acknowledges support from the California NanoSystems Institute through the Elings Fellowship program.

Funders	Funder number
California NanoSystems Institute
Center for Scientific Computing
Roy T. Eddleman Center for Quantum Innovation at UC Santa Barbara
National Science Foundation
University of California, Santa Barbara	CNS-1725797, DMR-1906325
Materials Research Science and Engineering Center, Harvard University	DMR-1720256

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Cite this

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abstract = "The recent discovery of the AV3Sb5 (A=K, Rb, Cs) material family offers an exciting opportunity to investigate the interplay of correlations, topology, and superconductivity in kagome metals. The low-energy physics of these materials is dominated by an unusual charge density wave phase, but little is understood about the true nature of the order parameter. In this work, we use a combination of ultrafast coherent phonon spectroscopy and first-principles density functional theory calculations to investigate the charge density wave order in CsV3Sb5. We find that the charge density wave is the result of a simultaneous condensation of three optical phonon modes at one M and two L points. This distortion can be described as tri-hexagonal ordering with an interlayer modulation along the c axis. It breaks the C6 rotational symmetry of the crystal and may offer a natural explanation for reports of uniaxial order at lower temperatures in this material family.",

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Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV3Sb5

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