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Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential
Abstract
The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single-site limit, at half filling, the electron-phonon coupling results in a double-well structure for the lattice displacement, favoring empty or doubly occupied sites. In two dimensions and on a bipartite lattice in d ≥ 2, intersite hopping causes these doubly occupied and empty sites to alternate in a charge density wave (CDW) pattern when the temperature is lowered. Because a discrete symmetry is broken, this occurs in a conventional second-order transition at finite Tcdw. In this paper, we investigate the effect of changing the phonon potential energy to one with an intrinsic double-well structure even in the absence of electron-phonon coupling. While this aids in the initial process of pair formation, the implications for subsequent CDW order are nontrivial. One expects that, when the electron-phonon coupling is too strong, the double wells become deep and the polaron mass gets large, an effect which reduces Tcdw. Here, we show here the existence of regions of parameter space where the double-well potential, while aiding local pair formation, does so in a way which also substantially enhances long-range CDW order.
- Authors:
-
[1];
[2];
[3];
[5]
- Kalamazoo College, MI (United States); University of California, Davis, CA (United States)
- Flatiron Institute, New York, NY (United States); University of California, Davis, CA (United States)
- Université Côte d'Azur, Nice (France)
- National University of Singapore (Singapore); Université Côte d'Azur, Nice (France)
- University of California, Davis, CA (United States)
- Publication Date:
- Research Org.:
- Univ. of California, Davis, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Science Foundation (NSF)
- OSTI Identifier:
- 2007046
- Grant/Contract Number:
- SC0014671; PHY2150515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 108; Journal Issue: 7; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Charge density waves; Phase transitions; Transition temperature; Holstein model; Quantum Monte Carlo
Citation Formats
Kvande, Claire, Feng, C., Hébert, F., Batrouni, G. G., and Scalettar, R. T. Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential. United States: N. p., 2023.
Web. doi:10.1103/physrevb.108.075119.
Kvande, Claire, Feng, C., Hébert, F., Batrouni, G. G., & Scalettar, R. T. Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential. United States. https://doi.org/10.1103/physrevb.108.075119
Kvande, Claire, Feng, C., Hébert, F., Batrouni, G. G., and Scalettar, R. T. Mon .
"Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential". United States. https://doi.org/10.1103/physrevb.108.075119.
@article{osti_2007046,
title = {Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential},
author = {Kvande, Claire and Feng, C. and Hébert, F. and Batrouni, G. G. and Scalettar, R. T.},
abstractNote = {The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single-site limit, at half filling, the electron-phonon coupling results in a double-well structure for the lattice displacement, favoring empty or doubly occupied sites. In two dimensions and on a bipartite lattice in d ≥ 2, intersite hopping causes these doubly occupied and empty sites to alternate in a charge density wave (CDW) pattern when the temperature is lowered. Because a discrete symmetry is broken, this occurs in a conventional second-order transition at finite Tcdw. In this paper, we investigate the effect of changing the phonon potential energy to one with an intrinsic double-well structure even in the absence of electron-phonon coupling. While this aids in the initial process of pair formation, the implications for subsequent CDW order are nontrivial. One expects that, when the electron-phonon coupling is too strong, the double wells become deep and the polaron mass gets large, an effect which reduces Tcdw. Here, we show here the existence of regions of parameter space where the double-well potential, while aiding local pair formation, does so in a way which also substantially enhances long-range CDW order.},
doi = {10.1103/physrevb.108.075119},
journal = {Physical Review. B},
number = 7,
volume = 108,
place = {United States},
year = {Mon Aug 07 00:00:00 EDT 2023},
month = {Mon Aug 07 00:00:00 EDT 2023}
}
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Works referenced in this record:
Ground-state dispersion and density of states from path-integral Monte Carlo: Application to the lattice polaron
journal, August 1999
- Kornilovitch, P. E.
- Physical Review B, Vol. 60, Issue 5
Polaron dynamics and bipolaron condensation in cuprates
journal, May 2000
- Alexandrov, A. S.
- Physical Review B, Vol. 61, Issue 18
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
Dimensionality effects on the Holstein polaron
journal, April 2002
- Ku, Li-Chung; Trugman, S. A.; Bonča, J.
- Physical Review B, Vol. 65, Issue 17
Effect of electron-phonon interaction range on lattice polaron dynamics: A continuous-time quantum Monte Carlo study
journal, May 2005
- Spencer, P. E.; Samson, J. H.; Kornilovitch, P. E.
- Physical Review B, Vol. 71, Issue 18
Two-dimensional Hubbard-Holstein bipolaron
journal, June 2004
- Macridin, A.; Sawatzky, G. A.; Jarrell, Mark
- Physical Review B, Vol. 69, Issue 24
Effects of dimensionality and anisotropy on the Holstein polaron
journal, November 1999
- Romero, Aldo H.; Brown, David W.; Lindenberg, Katja
- Physical Review B, Vol. 60, Issue 20
Holstein polaron
journal, July 1999
- Bonča, J.; Trugman, S. A.; Batistić, I.
- Physical Review B, Vol. 60, Issue 3
Effect of Quantum Fluctuations on the Peierls Instability: A Monte Carlo Study
journal, August 1982
- Hirsch, Jorge E.; Fradkin, Eduardo
- Physical Review Letters, Vol. 49, Issue 6
Phase diagram of one-dimensional electron-phonon systems. II. The molecular-crystal model
journal, April 1983
- Hirsch, Jorge E.; Fradkin, Eduardo
- Physical Review B, Vol. 27, Issue 7
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
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
Holstein model in infinite dimensions
journal, September 1993
- Freericks, J. K.; Jarrell, M.; Scalapino, D. J.
- Physical Review B, Vol. 48, Issue 9
Competition among Superconducting, Antiferromagnetic, and Charge Orders with Intervention by Phase Separation in the 2D Holstein-Hubbard Model
journal, November 2017
- Ohgoe, Takahiro; Imada, Masatoshi
- Physical Review Letters, Vol. 119, Issue 19
Dominant charge density wave correlations in the Holstein model on the half-filled square lattice
journal, October 2019
- Hohenadler, M.; Batrouni, G. G.
- Physical Review B, Vol. 100, Issue 16
Superconductivity and charge density wave order in the two-dimensional Holstein model
journal, June 2021
- Bradley, Owen; Batrouni, George G.; Scalettar, Richard T.
- Physical Review B, Vol. 103, Issue 23
Superconductivity, charge density waves, and bipolarons in the Holstein model
journal, June 2021
- Nosarzewski, B.; Huang, E. W.; Dee, Philip M.
- Physical Review B, Vol. 103, Issue 23
Two-dimensional
t − t ′
journal, April 2022
- Araújo, Maykon V.; de Lima, José P.; Sorella, Sandro
- Physical Review B, Vol. 105, Issue 16
Quantum phonons and the charge-density-wave transition temperature: A dynamical mean-field study
journal, March 2001
- Blawid, Stefan; Millis, Andrew J.
- Physical Review B, Vol. 63, Issue 11
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
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
Charge density waves on a half-filled decorated honeycomb lattice
journal, May 2020
- Feng, Chunhan; Guo, Huaiming; Scalettar, Richard T.
- Physical Review B, Vol. 101, Issue 20
Interplay of flat electronic bands with Holstein phonons
journal, December 2020
- Feng, Chunhan; Scalettar, Richard T.
- Physical Review B, Vol. 102, Issue 23
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
Langevin simulations of the half-filled cubic Holstein model
journal, October 2020
- Cohen-Stead, B.; Barros, Kipton; Meng, Zy
- Physical Review B, Vol. 102, Issue 16
A bound on the superconducting transition temperature
journal, November 2018
- Esterlis, I.; Kivelson, S. A.; Scalapino, D. J.
- npj Quantum Materials, Vol. 3, Issue 1
Quantum Monte Carlo Simulations of the 2D Su-Schrieffer-Heeger Model
journal, January 2021
- Xing, Bo; Chiu, Wei-Ting; Poletti, Dario
- Physical Review Letters, Vol. 126, Issue 1
Phase diagram of the Su-Schrieffer-Heeger-Hubbard model on a square lattice
journal, August 2022
- Feng, Chunhan; Xing, Bo; Poletti, Dario
- Physical Review B, Vol. 106, Issue 8
Valence-bond solid to antiferromagnet transition in the two-dimensional Su-Schrieffer-Heeger model by Langevin dynamics
journal, February 2022
- Götz, A.; Beyl, S.; Hohenadler, M.
- Physical Review B, Vol. 105, Issue 8
Antiferromagnetism Induced by Bond Su-Schrieffer-Heeger Electron-Phonon Coupling: A Quantum Monte Carlo Study
journal, December 2021
- Cai, Xun; Li, Zi-Xiang; Yao, Hong
- Physical Review Letters, Vol. 127, Issue 24
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
Bipolaronic High-Temperature Superconductivity
journal, January 2023
- Zhang, C.; Sous, J.; Reichman, D. R.
- Physical Review X, Vol. 13, Issue 1
A hybrid Monte Carlo study of bond-stretching electron–phonon interactions and charge order in BaBiO3
journal, March 2023
- Cohen-Stead, Benjamin; Barros, Kipton; Scalettar, Richard
- npj Computational Materials, Vol. 9, Issue 1
The Anharmonic Electron-Phonon Problem
journal, November 1996
- Freericks, J. K.; Jarrell, Mark; Mahan, G. D.
- Physical Review Letters, Vol. 77, Issue 22
The Hubbard–Holstein Model with Anharmonic Phonons in One Dimension
journal, April 2004
- Chatterjee, Ashok; Takada, Yasutami
- Journal of the Physical Society of Japan, Vol. 73, Issue 4
Going beyond the linear approximation in describing electron-phonon coupling: Relevance for the Holstein model
journal, May 2013
- Adolphs, C. P. J.; Berciu, M.
- EPL (Europhysics Letters), Vol. 102, Issue 4
The effects of non-linear electron-phonon interactions on superconductivity and charge-density-wave correlations
journal, January 2015
- Li, Shaozhi; Johnston, S.
- EPL (Europhysics Letters), Vol. 109, Issue 2
Relative importance of nonlinear electron-phonon coupling and vertex corrections in the Holstein model
journal, August 2020
- Dee, Philip M.; Coulter, Jennifer; Kleiner, Kevin G.
- Communications Physics, Vol. 3, Issue 1
Metallicity in a Holstein-Hubbard Chain at Half Filling with Gaussian Anharmonicity
journal, June 2017
- Lavanya, Ch. Uma; Sankar, I. V.; Chatterjee, Ashok
- Scientific Reports, Vol. 7, Issue 1
Effect of lattice anharmonicity on superconductivity
journal, March 1974
- Hui, J. C. K.; Allen, P. B.
- Journal of Physics F: Metal Physics, Vol. 4, Issue 3
Resistivity and superconductivity from anharmonic phonons
journal, April 1993
- Mahan, G. D.; Sofo, J. O.
- Physical Review B, Vol. 47, Issue 13
Rattling-Induced Heavy Fermion State in the Anharmonic Holstein Model
journal, January 2011
- Fuse, Takahiro; Ōno, Yoshiaki
- Journal of the Physical Society of Japan, Vol. 80, Issue Suppl.A
Heavy-Electron Formation and Polaron–Bipolaron Transition in the Anharmonic Holstein Model
journal, April 2012
- Fuse, Takahiro; Ōno, Yoshiaki; Hotta, Takashi
- Journal of the Physical Society of Japan, Vol. 81, Issue 4
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
Green’s-function self-energies in the two-dimensional Holstein model
journal, January 1993
- Noack, R. M.; Scalapino, D. J.
- Physical Review B, Vol. 47, Issue 1
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
The spectral function of a one-dimensional Holstein polaron
journal, September 1993
- Marsiglio, F.
- Physics Letters A, Vol. 180, Issue 3
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
Quantum Monte Carlo study of an anharmonic Holstein model
journal, May 2021
- Paleari, G.; Hébert, F.; Cohen-Stead, B.
- Physical Review B, Vol. 103, Issue 19
Fast and scalable quantum Monte Carlo simulations of electron-phonon models
journal, June 2022
- Cohen-Stead, Benjamin; Bradley, Owen; Miles, Cole
- Physical Review E, Vol. 105, Issue 6
Charge singlets and orbital-selective charge density wave transitions
journal, September 2022
- Zhang, Yuxi; Feng, Chunhan; Mondaini, Rubem
- Physical Review B, Vol. 106, Issue 11
Symmetry-enforced self-learning Monte Carlo method applied to the Holstein model
journal, July 2018
- Chen, Chuang; Xu, Xiao Yan; Liu, Junwei
- Physical Review B, Vol. 98, Issue 4
Reducing autocorrelation time in determinant quantum Monte Carlo using the Wang-Landau algorithm: Application to the Holstein model
journal, August 2021
- Yao, Meng; Wang, Da; Wang, Qiang-Hua
- Physical Review E, Vol. 104, Issue 2
Breakdown of the Migdal-Eliashberg theory in the strong-coupling adiabatic regime
journal, October 2001
- Alexandrov, A. S.
- Europhysics Letters (EPL), Vol. 56, Issue 1
Electronic inhomogeneity in a Kondo lattice
journal, April 2011
- Bauer, E. D.; Yang, Y. -f.; Capan, C.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 17
Kondo Bosons and the Kondo Lattice: Microscopic Basis for the Heavy Fermi Liquid
journal, August 1986
- Auerbach, Assa; Levin, K.
- Physical Review Letters, Vol. 57, Issue 7
The ground-state phase diagram of the one-dimensional Kondo lattice model
journal, July 1997
- Tsunetsugu, Hirokazu; Sigrist, Manfred; Ueda, Kazuo
- Reviews of Modern Physics, Vol. 69, Issue 3
Foundations of heavy-fermion superconductivity: lattice Kondo effect and Mott physics
journal, July 2016
- Steglich, Frank; Wirth, Steffen
- Reports on Progress in Physics, Vol. 79, Issue 8
Indirect Exchange Coupling of Nuclear Magnetic Moments by Conduction Electrons
journal, October 1954
- Ruderman, M. A.; Kittel, C.
- Physical Review, Vol. 96, Issue 1
A Theory of Metallic Ferro- and Antiferromagnetism on Zener's Model
journal, July 1956
- Kasuya, Tadao
- Progress of Theoretical Physics, Vol. 16, Issue 1
Magnetic Properties of Cu-Mn Alloys
journal, June 1957
- Yosida, Kei
- Physical Review, Vol. 106, Issue 5
Avoided crossing of rattler modes in thermoelectric materials
journal, August 2008
- Christensen, Mogens; Abrahamsen, Asger B.; Christensen, Niels B.
- Nature Materials, Vol. 7, Issue 10
Recent Developments in Bulk Thermoelectric Materials
journal, March 2006
- Nolas, George S.; Poon, Joe; Kanatzidis, Mercouri
- MRS Bulletin, Vol. 31, Issue 3
Equation of State Calculations by Fast Computing Machines
journal, June 1953
- Metropolis, Nicholas; Rosenbluth, Arianna W.; Rosenbluth, Marshall N.
- The Journal of Chemical Physics, Vol. 21, Issue 6
Numerical study of the two-dimensional Hubbard model
journal, July 1989
- White, S. R.; Scalapino, D. J.; Sugar, R. L.
- Physical Review B, Vol. 40, Issue 1