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Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential

Journal Article · · Physical Review. B
 [1];  [2];  [3];  [4];  [5]
  1. Kalamazoo College, MI (United States); University of California, Davis, CA (United States); University of California, Davis
  2. Flatiron Institute, New York, NY (United States); University of California, Davis, CA (United States)
  3. Université Côte d'Azur, Nice (France)
  4. National University of Singapore (Singapore); Université Côte d'Azur, Nice (France)
  5. University of California, Davis, CA (United States)
+ Show Author Affiliations
The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single-site limit, at half filling, the electron-phonon coupling results in a double-well structure for the lattice displacement, favoring empty or doubly occupied sites. In two dimensions and on a bipartite lattice in d ≥ 2, intersite hopping causes these doubly occupied and empty sites to alternate in a charge density wave (CDW) pattern when the temperature is lowered. Because a discrete symmetry is broken, this occurs in a conventional second-order transition at finite Tcdw. In this paper, we investigate the effect of changing the phonon potential energy to one with an intrinsic double-well structure even in the absence of electron-phonon coupling. While this aids in the initial process of pair formation, the implications for subsequent CDW order are nontrivial. One expects that, when the electron-phonon coupling is too strong, the double wells become deep and the polaron mass gets large, an effect which reduces Tcdw. Here, we show here the existence of regions of parameter space where the double-well potential, while aiding local pair formation, does so in a way which also substantially enhances long-range CDW order.
Research Organization:
University of California, Davis, CA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC)
Grant/Contract Number:
SC0014671
OSTI ID:
2007046
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 7 Vol. 108; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Figures / Tables (9)

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Charge density waves
Holstein model
Phase transitions
Quantum Monte Carlo
Transition temperature