Effect of nonhydrostatic pressure on the superconducting kagome metal CsV3Sb5

Alexander A. Tsirlin, Brenden R. Ortiz, Martin Dressel, Stephen D. Wilson, Stephan Winnerl, Ece Uykur

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

High-pressure single-crystal x-ray diffraction experiments reveal that the superconducting kagome metal CsV3Sb5 transforms from hexagonal (P6/mmm) to monoclinic (C2/m) symmetry above 10 GPa if nonhydrostatic pressure conditions are created in a diamond anvil cell with silicon oil as the pressure-transmitting medium. This is contrary to the behavior of CsV3Sb5 under quasihydrostatic conditions in neon, with the hexagonal symmetry retained up to at least 20 GPa. Monoclinic distortion leaves the kagome planes almost unchanged, but deforms honeycomb nets of the Sb atoms. While the onset of the distortion almost coincides with the reentrance of superconductivity, our ab initio density-functional calculations reveal only minor changes in the electronic structure compared to the quasihydrostatic case. In particular, Fermi surface reconstruction driven by the formation of interlayer Sb-Sb bonds is observed in both monoclinic and hexagonal CsV3Sb5 structures at high pressures and comes out as the likely cause for the reentrant behavior.

Original languageEnglish
Article number174107
JournalPhysical Review B
Volume107
Issue number17
DOIs
StatePublished - May 1 2023
Externally publishedYes

Funding

We are grateful to Gabriele Untereiner for preparing single crystals for the XRD experiment. We thank SOLEIL for providing the beam time and Pierre Fertey for his technical support during the measurement. S.D.W. and B.R.O. gratefully acknowledge support via the UC Santa Barbara NSF Quantum Foundry funded via the Q-AMASE-i program under Award No. DMR-1906325. B.R.O. also acknowledges support from the California NanoSystems Institute through the Elings fellowship program. The work has been supported by the Deutsche Forschungsgemeinschaft (DFG) via Grants No. DR228/51-1 and No. UY63/2-1. E.U. acknowledges the European Social Fund and the Baden-Württemberg Stiftung for the financial support of this research project by the Eliteprogramme. Computations for this work were done (in part) using resources of the Leipzig University Computing Center.

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