Isotope effects in the Hubbard-Holstein model within dynamical mean-field theory

P. Paci, M. Capone, E. Cappelluti, S. Ciuchi, and C. Grimaldi
Phys. Rev. B 74, 205108 – Published 9 November 2006

Abstract

We study the isotope effects arising from the coupling of correlated electrons with dispersionless phonons by considering the Hubbard-Holstein model at half-filling within the dynamical mean-field theory. In particular we calculate the isotope effects on the quasiparticle spectral weight Z, the renormalized phonon frequency, and the static charge and spin susceptibilities. In the weakly correlated regime Ut1.5, where U is the Hubbard repulsion and t is the bare electron half-bandwidth, the physical properties are qualitatively similar to those characterizing the Holstein model in the absence of Coulomb repulsion, where the bipolaronic binding takes place at large electron-phonon coupling and it is reflected in divergent isotope responses. On the contrary in the strongly correlated regime Ut1.5, where the bipolaronic metal-insulator transition becomes of first order, the isotope effects are bounded, suggesting that the first-order transition is likely driven by an electronic mechanism, rather then by a lattice instability. These results point out how the isotope responses are extremely sensitive to phase boundaries and they may be used to characterize the competition between the electron-phonon coupling and the Hubbard repulsion.

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  • Received 6 May 2006

DOI:https://doi.org/10.1103/PhysRevB.74.205108

©2006 American Physical Society

Authors & Affiliations

P. Paci1, M. Capone2,3, E. Cappelluti2,3, S. Ciuchi4,2, and C. Grimaldi5,6

  • 1International School for Advanced Studies (SISSA), via Beirut 2-4, 34014 Trieste, Italy
  • 2SMC-INFM and Istituto dei Sistemi Complessi, CNR, via dei Taurini 19, 00185 Roma, Italy
  • 3Dipartamento di Fisica, Università “La Sapienza,” Piazzale A. Moro 2, 00185 Roma, Italy
  • 4Dipartamento di Fisica, Università de L’Aquila and INFM UdR AQ, 67010 Coppito-L’Aquila, Italy
  • 5Ecole Polytechnique Fédérale de Lausanne, LPM, Station 17, CH-1015 Lausanne, Switzerland
  • 6DPMC, Université de Genève, 24 quai Ernest Ansermet, CH-1211 Genève 4, Switzerland

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Issue

Vol. 74, Iss. 20 — 15 November 2006

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