Van Hove tuning of AV3Sb5 kagome metals under pressure and strain

Armando Consiglio, Tilman Schwemmer, Xianxin Wu, Werner Hanke, Titus Neupert, Ronny Thomale, Giorgio Sangiovanni, and Domenico Di Sante
Phys. Rev. B 105, 165146 – Published 26 April 2022
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Abstract

From first-principles calculations, we investigate the structural and electronic properties of the kagome metals AV3Sb5 (A=Cs, K, Rb) under isotropic and anisotropic pressure. Charge-ordering patterns are found to be unanimously suppressed, while there is a significant rearrangement of p-type and m-type Van Hove point energies with respect to the Fermi level. Already for moderate tensile strain along the V plane and compressive strain normal to the V layer, we find that a Van Hove point can be shifted to the Fermi energy. Such a mechanism provides an invaluable tuning knob to alter the correlation profile in the kagome metal, and suggests itself for further experimental investigation. It might allow us to reconcile possible multidome superconductivity in kagome metals not only from phonons but also from the viewpoint of unconventional pairing.

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  • Received 24 November 2021
  • Revised 18 March 2022
  • Accepted 18 April 2022

DOI:https://doi.org/10.1103/PhysRevB.105.165146

©2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Armando Consiglio1,*, Tilman Schwemmer1, Xianxin Wu2,3, Werner Hanke1, Titus Neupert4, Ronny Thomale1,5, Giorgio Sangiovanni1, and Domenico Di Sante6,7

  • 1Institut für Theoretische Physik und Astrophysik and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, 97074 Würzburg, Germany
  • 2Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
  • 3CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 4Department of Physics, University of Zurich, Winterthurerstrasse 190, 8057 Zurich, Switzerland
  • 5Department of Physics and Quantum Centers in Diamond and Emerging Materials (QuCenDiEM) group, Indian Institute of Technology Madras, Chennai 600036, India
  • 6Department of Physics and Astronomy, Alma Mater Studiorum, University of Bologna, 40127 Bologna, Italy
  • 7Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

  • *armando.consiglio@physik.uni-wuerzburg.de

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Issue

Vol. 105, Iss. 16 — 15 April 2022

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