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Role of Sb in the superconducting kagome metal CsV$_3$Sb$_5$ revealed by its anisotropic compression

by Alexander A. Tsirlin, Pierre Fertey, Brenden R. Ortiz, Berina Klis, Valentino Merkl, Martin Dressel, Stephen D. Wilson, Ece Uykur

Submission summary

As Contributors: Alexander Tsirlin
Arxiv Link: https://arxiv.org/abs/2105.01397v2 (pdf)
Date submitted: 2021-08-03 10:30
Submitted by: Tsirlin, Alexander
Submitted to: SciPost Physics
Academic field: Physics
Specialties:
  • Condensed Matter Physics - Experiment
  • Condensed Matter Physics - Computational
Approaches: Experimental, Computational

Abstract

Pressure evolution of the superconducting kagome metal CsV$_3$Sb$_5$ is studied with single-crystal x-ray diffraction and density-functional band-structure calculations. A highly anisotropic compression observed up to 5 GPa is ascribed to the fast shrinkage of the Cs-Sb distances and suppression of Cs rattling motion. This prevents Sb displacements required to stabilize the three-dimensional charge-density-wave (CDW) state and elucidates the disappearance of the CDW already at 2 GPa despite only minor changes in the electronic structure. At higher pressures, vanadium bands still change only marginally, whereas antimony bands undergo a major reconstruction caused by the gradual formation of the interlayer Sb-Sb bonds. Our results highlight the central role of Sb atoms in the stabilization of a three-dimensional CDW and re-entrant superconductivity of a kagome metal.

Current status:
Editor-in-charge assigned


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Submission 2105.01397v2 on 3 August 2021

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