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Grüneisen parameter as an entanglement compass and the breakdown of the Hellmann-Feynman theorem

Lucas Squillante1, Luciano S. Ricco2, Aniekan Magnus Ukpong3,4, Roberto E. Lagos-Monaco1, Antonio C. Seridonio5, and Mariano de Souza1,*

  • 1IGCE - Physics Department, São Paulo State University (Unesp), Rio Claro - SP, Brazil
  • 2Science Institute, University of Iceland, Dunhagi-3, IS-107 Reykjavik, Iceland
  • 3Theoretical and Computational Condensed Matter and Materials Physics Group, School of Chemistry and Physics, University of KwaZulu-Natal, Pietermaritzburg, South Africa
  • 4National Institute for Theoretical and Computational Sciences (NITheCS), KwaZulu-Natal, South Africa
  • 5Department of Physics and Chemistry, São Paulo State University (Unesp), Ilha Solteira - SP, Brazil

  • *mariano.souza@unesp.br

Phys. Rev. B 108, L140403 – Published 6 October, 2023

DOI: https://doi.org/10.1103/PhysRevB.108.L140403

Abstract

The Grüneisen ratio Γ, i.e., the singular part of the ratio of thermal expansion to the specific heat, has been broadly employed to explore both finite T and quantum critical points (QCPs). For a genuine quantum phase transition (QPT), thermal fluctuations are absent and thus the thermodynamic Γ cannot be employed. We propose a quantum analog to Γ that computes entanglement as a function of a tuning parameter λ and show that QPTs take place only for systems in which the ground-state energy depends on λ nonlinearly. Furthermore, we demonstrate the breakdown of the Hellmann-Feynman theorem in the thermodynamic limit at any QCP. We showcase our approach using the quantum one-dimensional Ising model with a transverse field and Kane's quantum computer. The slowing down of the dynamics and thus the “creation of mass” close to any QCP/QPT is also discussed.

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