Langevin simulations of the half-filled cubic Holstein model

Cohen-Stead, B.; Barros, Kipton; Meng, ZY; Chen, Chuang; Scalettar, R. T.; Batrouni, G. G.

doi:10.1103/physrevb.102.161108

Title: Langevin simulations of the half-filled cubic Holstein model

Journal Article · Tue Oct 13 00:00:00 EDT 2020 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.102.161108· OSTI ID:1844141

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^[4]; Scalettar, R. T. ^[1]; Batrouni, G. G. ^[5]

Univ. of California, Davis, CA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Hong Kong (China); Songshan Lake Materials Lab., Guangdong (China)
Chinese Academy of Sciences (CAS), Beijing (China)
Univ. Côte d'Azur, Nice (France); National Univ. of Singapore (Singapore); Beijing Computational Science Research Center (China)

Over the past several years, reliable quantum Monte Carlo results for the charge density wave transition temperature T_cdw 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 T_cdw 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.

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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; TRN: US2302345

Journal Information:: Physical Review. B, Vol. 102, Issue 16; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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