Thermal and quantum lattice fluctuations in Peierls chains

Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin

doi:10.1103/physrevb.98.235117

Title: Thermal and quantum lattice fluctuations in Peierls chains

Journal Article · 06 December 2018 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.98.235117 · OSTI ID:1610013

Weber, Manuel ^[1]; Assaad, Fakher F. ^[2]; Hohenadler, Martin ^[2]

Univ. Wurzburg (Germany); Georgetown Univ., Washington, DC (United States); DOE/OSTI
Univ. Wurzburg (Germany)

Thermodynamic and spectral properties of electrons coupled to quantum phonons are studied in the framework of the one-dimensional spinless Holstein model. Using quantum Monte Carlo simulations and an efficient exact estimator for the specific heat based on the properties of the perturbation expansion we calculate the specific heat and compressibility for the entire range of electron-phonon couplings and phonon frequencies. Here, our results reveal how the Peierls gap and long-range order at zero temperature as well as the significant renormalization of electrons and phonons—revealed by the corresponding spectral functions—manifest themselves in the specific heat. We also quantitatively assess the validity for the widely used classical phonon approximation and identify the electronic contribution predicted for a Tomonaga-Luttinger liquid.

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Research Organization:: Georgetown Univ., Washington, DC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: FG02-08ER46542

OSTI ID:: 1610013

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 23 Vol. 98; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Thermal and quantum lattice fluctuations in Peierls chains

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