Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model
Abstract
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.
- Authors:
-
- Singapore Univ. of Technology and Design (Singapore)
- Univ. of California, Davis, CA (United States)
- Universite Cote d'Azur, Nice (France); National Univ. of Singapore (Singapore); Beijing Computational Science Research Center, Beijing (China)
- Publication Date:
- Research Org.:
- Univ. of California, Davis, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1851972
- Grant/Contract Number:
- SC0014671
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 126; Journal Issue: 1; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Physics; Electron-phonon coupling; Order parameters; Quantum phase transitions; Two-dimensional electron system; Lattice models in condensed matter; Quantum Monte Carlo
Citation Formats
Xing, Bo, Chiu, Wei-Ting, Poletti, Dario, Scalettar, R. T., and Batrouni, George. Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model. United States: N. p., 2021.
Web. doi:10.1103/physrevlett.126.017601.
Xing, Bo, Chiu, Wei-Ting, Poletti, Dario, Scalettar, R. T., & Batrouni, George. Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model. United States. https://doi.org/10.1103/physrevlett.126.017601
Xing, Bo, Chiu, Wei-Ting, Poletti, Dario, Scalettar, R. T., and Batrouni, George. Thu .
"Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model". United States. https://doi.org/10.1103/physrevlett.126.017601. https://www.osti.gov/servlets/purl/1851972.
@article{osti_1851972,
title = {Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model},
author = {Xing, Bo and Chiu, Wei-Ting and Poletti, Dario and Scalettar, R. T. and Batrouni, George},
abstractNote = {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.},
doi = {10.1103/physrevlett.126.017601},
journal = {Physical Review Letters},
number = 1,
volume = 126,
place = {United States},
year = {Thu Jan 07 00:00:00 EST 2021},
month = {Thu Jan 07 00:00:00 EST 2021}
}
Works referenced in this record:
Quantum Monte Carlo study of the two-dimensional fermion Hubbard model
journal, August 2009
- Varney, C. N.; Lee, C. -R.; Bai, Z. J.
- Physical Review B, Vol. 80, Issue 7
Topological insulators and superconductors
journal, October 2011
- Qi, Xiao-Liang; Zhang, Shou-Cheng
- Reviews of Modern Physics, Vol. 83, Issue 4
Metallicity in the half-filled Holstein-Hubbard model
journal, November 2008
- Fehske, H.; Hager, G.; Jeckelmann, E.
- EPL (Europhysics Letters), Vol. 84, Issue 5
Peierls Distortion in Two-Dimensional Tight-Binding Model
journal, June 2000
- Ono, Yoshiyuki; Hamano, Tetsuya
- Journal of the Physical Society of Japan, Vol. 69, Issue 6
Effect of strain on charge density wave order in the Holstein model
journal, July 2019
- Cohen-Stead, B.; Costa, N. C.; Khatami, E.
- Physical Review B, Vol. 100, Issue 4
Superconductivity above 20 K in the Ba-K-Bi-O system
journal, March 1988
- Mattheiss, L. F.; Gyorgy, E. M.; Johnson, D. W.
- Physical Review B, Vol. 37, Issue 7
Effect of quantum fluctuations on one-dimensional electron-phonon systems: The Su-Schrieffer-Heeger model
journal, April 1986
- Schmeltzer, D.; Zeyher, R.; Hanke, W.
- Physical Review B, Vol. 33, Issue 7
Light Bipolarons Stabilized by Peierls Electron-Phonon Coupling
journal, December 2018
- Sous, John; Chakraborty, Monodeep; Krems, Roman V.
- Physical Review Letters, Vol. 121, Issue 24
Quantum vs classical aspects of one dimensional electron-phonon systems revisited by the renormalization group method
journal, November 2007
- Bakrim, H.; Bourbonnais, C.
- Physical Review B, Vol. 76, Issue 19
Finite-size effects in Luther-Emery phases of Holstein and Hubbard models
journal, December 2015
- Greitemann, J.; Hesselmann, S.; Wessel, S.
- Physical Review B, Vol. 92, Issue 24
Observation of the spin-Peierls transition in linear (spin-1/2) chains in an inorganic compound
journal, June 1993
- Hase, Masashi; Terasaki, Ichiro; Uchinokura, Kunimitsu
- Physical Review Letters, Vol. 70, Issue 23
Phase diagram of one-dimensional electron-phonon systems. I. The Su-Schrieffer-Heeger model
journal, February 1983
- Fradkin, Eduardo; Hirsch, Jorge E.
- Physical Review B, Vol. 27, Issue 3
Superconductivity at 3.5 K in BaPb0.75Sb0.25O3: why is Tc so low?
journal, May 1989
- Cava, R. J.; Batlogg, B.; Espinosa, G. P.
- Nature, Vol. 339, Issue 6222
Charge Order in the Holstein Model on a Honeycomb Lattice
journal, February 2019
- Zhang, Y. -X.; Chiu, W. -T.; Costa, N. C.
- Physical Review Letters, Vol. 122, Issue 7
Lattice of double wells for manipulating pairs of cold atoms
journal, March 2006
- Sebby-Strabley, J.; Anderlini, M.; Jessen, P. S.
- Physical Review A, Vol. 73, Issue 3
Charge-Density-Wave Transitions of Dirac Fermions Coupled to Phonons
journal, February 2019
- Chen, Chuang; Xu, Xiao Yan; Meng, Zi Yang
- Physical Review Letters, Vol. 122, Issue 7
High-temperature superconductivity in the BaPb1−xBixO3 system
journal, December 1993
- Sleight, A. W.; Gillson, J. L.; Bierstedt, P. E.
- Solid State Communications, Vol. 88, Issue 11-12
Effect of Electron-Phonon Interaction Range for a Half-Filled Band in One Dimension
journal, September 2012
- Hohenadler, Martin; Assaad, Fakher F.; Fehske, Holger
- Physical Review Letters, Vol. 109, Issue 11
High-temperature superconductivity in the BaPb1-xBixO3 systems
journal, July 1975
- Sleight, A. W.; Gillson, J. L.; Bierstedt, P. E.
- Solid State Communications, Vol. 17, Issue 1
Sharp Transition for Single Polarons in the One-Dimensional Su-Schrieffer-Heeger Model
journal, December 2010
- Marchand, D. J. J.; De Filippis, G.; Cataudella, V.
- Physical Review Letters, Vol. 105, Issue 26
Monte Carlo calculations of coupled boson-fermion systems. I
journal, October 1981
- Blankenbecler, R.; Scalapino, D. J.; Sugar, R. L.
- Physical Review D, Vol. 24, Issue 8
Peierls instability in the two-dimensional half-filled Hubbard model
journal, June 1988
- Tang, Sanyee; Hirsch, J. E.
- Physical Review B, Vol. 37, Issue 16
Peierls transition in the presence of finite-frequency phonons in the one-dimensional extended Peierls-Hubbard model at half-filling
journal, June 2003
- Sengupta, Pinaki; Sandvik, Anders W.; Campbell, David K.
- Physical Review B, Vol. 67, Issue 24
Superconductivity near 30 K without copper: the Ba0.6K0.4BiO3 perovskite
journal, April 1988
- Cava, R. J.; Batlogg, B.; Krajewski, J. J.
- Nature, Vol. 332, Issue 6167
Nature of ground states in one-dimensional electron-phonon Hubbard models at half filling
journal, February 2015
- Bakrim, H.; Bourbonnais, C.
- Physical Review B, Vol. 91, Issue 8
A Thouless quantum pump with ultracold bosonic atoms in an optical superlattice
journal, December 2015
- Lohse, M.; Schweizer, C.; Zilberberg, O.
- Nature Physics, Vol. 12, Issue 4
Competition of pairing and Peierls – charge-density-wave correlations in a two-dimensional electron-phonon model
journal, July 1989
- Scalettar, R. T.; Bickers, N. E.; Scalapino, D. J.
- Physical Review B, Vol. 40, Issue 1
Charge-density-wave-gap formation in the two-dimensional Holstein model at half-filling
journal, December 1993
- Niyaz, Parhat; Gubernatis, J. E.; Scalettar, R. T.
- Physical Review B, Vol. 48, Issue 21
Quantum ground state of a polyacetylene ring
journal, May 1982
- Su, W. P.
- Solid State Communications, Vol. 42, Issue 7
Two-dimensional Holstein-Hubbard model: Critical temperature, Ising universality, and bipolaron liquid
journal, August 2018
- Weber, Manuel; Hohenadler, Martin
- Physical Review B, Vol. 98, Issue 8
Pairing and charge-density-wave correlations in the Holstein model at half-filling
journal, August 1990
- Marsiglio, F.
- Physical Review B, Vol. 42, Issue 4
Quantum Monte Carlo and variational approaches to the Holstein model
journal, January 2004
- Hohenadler, Martin; Evertz, Hans Gerd; von der Linden, Wolfgang
- Physical Review B, Vol. 69, Issue 2
Charge Density Wave, Superconductivity, and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides
journal, May 2001
- Castro Neto, A. H.
- Physical Review Letters, Vol. 86, Issue 19
Effect of quantum lattice fluctuations on the Peierls broken-symmetry ground state
journal, January 2006
- Barford, William; Bursill, Robert J.
- Physical Review B, Vol. 73, Issue 4
Effect of quantum fluctuations on the Peierls dimerization in the one-dimensional molecular-crystal model
journal, May 1989
- Zheng, H.; Feinberg, D.; Avignon, M.
- Physical Review B, Vol. 39, Issue 13
Competing orders and unconventional criticality in the Su-Schrieffer-Heeger model
journal, April 2020
- Weber, Manuel; Parisen Toldin, Francesco; Hohenadler, Martin
- Physical Review Research, Vol. 2, Issue 2
Charge-density-wave and pairing susceptibilities in a two-dimensional electron-phonon model
journal, February 1991
- Noack, R. M.; Scalapino, D. J.; Scalettar, R. T.
- Physical Review Letters, Vol. 66, Issue 6
Phonon-mediated repulsion, sharp transitions and (quasi)self-trapping in the extended Peierls-Hubbard model
journal, April 2017
- Sous, J.; Chakraborty, M.; Adolphs, C. P. J.
- Scientific Reports, Vol. 7, Issue 1
Observation of the topological soliton state in the Su–Schrieffer–Heeger model
journal, December 2016
- Meier, Eric J.; An, Fangzhao Alex; Gadway, Bryce
- Nature Communications, Vol. 7, Issue 1
Antiferromagnetism in the Two-Dimensional Hubbard Model
journal, January 1989
- Hirsch, J. E.; Tang, S.
- Physical Review Letters, Vol. 62, Issue 5
Quantum Monte Carlo study of the one-dimensional Holstein model of spinless fermions
journal, April 1996
- McKenzie, Ross H.; Hamer, C. J.; Murray, D. W.
- Physical Review B, Vol. 53, Issue 15
An examination of the formation and characteristics of charge-density waves in inorganic materials with special reference to the two- and one-dimensional transition-metal chalcogenides
journal, September 1986
- Withers, R. L.; Wilson, J. A.
- Journal of Physics C: Solid State Physics, Vol. 19, Issue 25
Quantum Monte Carlo with the Langevin Equation: Coupled Bose-Fermi Systems
journal, October 2019
- George Batrouni, G.; Scalettar, Richard T.
- Journal of Physics: Conference Series, Vol. 1290, Issue 1
Classification of topological insulators and superconductors in three spatial dimensions
journal, November 2008
- Schnyder, Andreas P.; Ryu, Shinsei; Furusaki, Akira
- Physical Review B, Vol. 78, Issue 19
Quantum Monte Carlo study of lattice polarons in the two-dimensional three-orbital Su–Schrieffer–Heeger model
journal, June 2020
- Li, Shaozhi; Johnston, Steven
- npj Quantum Materials, Vol. 5, Issue 1
Topologically Protected Edge State in Two-Dimensional Su–Schrieffer–Heeger Circuit
journal, February 2019
- Liu, Shuo; Gao, Wenlong; Zhang, Qian
- Research, Vol. 2019
Phonon Dispersion Relations in Two-dimensional Peierls Phase
journal, September 2004
- Chiba, Shutaro; Ono, Yoshiyuki
- Journal of the Physical Society of Japan, Vol. 73, Issue 9
Langevin simulations of a long-range electron-phonon model
journal, January 2019
- Batrouni, G. G.; Scalettar, Richard T.
- Physical Review B, Vol. 99, Issue 3
Superconductivity and metal-semiconductor transition in BaPb 1-x Bi x O 3
journal, January 1987
- Uchida, S.; Kitazawa, K.; Tanaka, S.
- Phase Transitions, Vol. 8, Issue 2
Charge-density waves versus superconductivity in the Holstein model with next-nearest-neighbor hopping
journal, July 1992
- Vekić, M.; Noack, R. M.; White, S. R.
- Physical Review B, Vol. 46, Issue 1
Preparation and structure of a new kind of an extended partially oxidized linear-chain compound: catena-(.mu.-bromo)bis((1R,2R)-cyclohexanediamine)nickel(2.77) bromide
journal, December 1984
- Toftlund, Hans; Simonsen, Ole
- Inorganic Chemistry, Vol. 23, Issue 25
Electronic Structure of the High- Superconductor
journal, June 1988
- Mattheiss, L. F.; Hamann, D. R.
- Physical Review Letters, Vol. 60, Issue 25
On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011
- Rossnagel, K.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 21
Excitation spectra and correlation functions of quantum Su-Schrieffer-Heeger models
journal, June 2015
- Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin
- Physical Review B, Vol. 91, Issue 24
Direct observation of second-order atom tunnelling
journal, August 2007
- Fölling, S.; Trotzky, S.; Cheinet, P.
- Nature, Vol. 448, Issue 7157
Direct measurement of the Zak phase in topological Bloch bands
journal, November 2013
- Atala, Marcos; Aidelsburger, Monika; Barreiro, Julio T.
- Nature Physics, Vol. 9, Issue 12