Quantum Monte&nbsp;Carlo Simulations of the 2D Su-Schrieffer-Heeger Model

Xing, Bo; Chiu, Wei-Ting; Poletti, Dario; Scalettar, R.  T.; Batrouni, George

doi:10.1103/physrevlett.126.017601

Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model

Journal Article · Thu Jan 07 00:00:00 EST 2021 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.126.017601· OSTI ID:1851972

^[1]; Chiu, Wei-Ting ^[2]; Poletti, Dario ^[3]; Scalettar, R. T. ^[2]; Batrouni, George ^[4]

Singapore Univ. of Technology and Design (Singapore); OSTI
Univ. of California, Davis, CA (United States)
Singapore Univ. of Technology and Design (Singapore)
Universite Cote d'Azur, Nice (France); National Univ. of Singapore (Singapore); Beijing Computational Science Research Center, Beijing (China)

Over the past several years, a new generation of quantum simulations has greatly expanded our understanding of charge density wave phase transitions in Hamiltonians with coupling between local phonon modes and the on-site charge density. A quite different, and interesting, case is one in which the phonons live on the bonds, and hence modulate the electron hopping. This example, described by the Su-Schrieffer-Heeger (SSH) Hamiltonian, has so far only been studied with quantum Monte Carlo in one dimension. Here we present results for the 2D SSH model, show that a bond ordered wave (BOW) insulator is present in the ground state at half filling, and argue that a critical value of the electron-phonon coupling is required for its onset, in contradistinction with the 1D case where BOW exists for any nonzero coupling. We determine the precise nature of the bond ordering pattern, which has hitherto been controversial, and the critical transition temperature, which is associated with a spontaneous breaking of Ζ₄ symmetry.

View Accepted Manuscript (DOE)

Research Organization:: University of California, Davis, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0014671

OSTI ID:: 1851972

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1 Vol. 126; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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