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Langevin simulations of the half-filled cubic Holstein model

Journal Article · · Physical Review. B
 [1];  [2];  [3];  [4];  [1];  [5]
  1. Univ. of California, Davis, CA (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Hong Kong (China); Songshan Lake Materials Lab., Guangdong (China)
  4. Chinese Academy of Sciences (CAS), Beijing (China)
  5. Univ. Côte d'Azur, Nice (France); National Univ. of Singapore (Singapore); Beijing Computational Science Research Center (China)
+ Show Author Affiliations
Over the past several years, reliable quantum Monte Carlo results for the charge density wave transition temperature Tcdw of the half-filled two-dimensional Holstein model in square and honeycomb lattices have become available for the first time. Here, exploiting the further development of numerical methodology, here we present results in three dimensions, which are made possible through the use of Langevin evolution of the quantum phonon degrees of freedom. In addition to determining Tcdw from the scaling of the charge correlations, we also examine the nature of charge order at general wave vectors for different temperatures, couplings, and phonon frequencies, and the behavior of the spectral function and specific heat.
Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
89233218CNA000001; SC0014671
OSTI ID:
1844141
Report Number(s):
LA-UR-20-24119
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 16 Vol. 102; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Charge density waves
Electron-phonon coupling
Holstein model
Langevin algorithm
Material science
Quantum Monte Carlo