Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study
Abstract
The Holstein model is a paradigmatic description of the electron-phonon interaction, in which electrons couple to local dispersionless phonon modes, independent of momentum. The model has been shown to host a variety of ordered ground states such as charge density wave (CDW) order and superconductivity on several geometries, including the square, honeycomb, and Lieb lattices. In this work, we study CDW formation in the Holstein model on the kagome lattice, using a recently developed hybrid Monte Carlo simulation method. We present evidence for √3 × √3 CDW order at an average electron filling of < n > = 2/3 per site, with an ordering wavevector at the K-points of the Brillouin zone. We estimate a phase transition occurring at Tc ≈ t/18, where t is the nearest-neighbor hopping parameter. Our simulations find no signature of CDW order at other electron fillings or ordering momenta for temperatures T ≥ t/20.
- Authors:
-
[1];
- Univ. of California, Davis, CA (United States)
- Univ. of California, Davis, CA (United States); Univ. of Tennessee, Knoxville, TN (United States)
- Univ. of Tennessee, Knoxville, TN (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Univ. of Tennessee, Knoxville, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1972733
- Grant/Contract Number:
- SC0022311
- Resource Type:
- Accepted Manuscript
- Journal Name:
- npj Quantum Materials
- Additional Journal Information:
- Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2397-4648
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Electronic properties and materials; Phase transitions and critical phenomena; Theory and computation
Citation Formats
Bradley, Owen, Cohen-Stead, Benjamin, Johnston, Steven, Barros, Kipton, and Scalettar, Richard T. Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study. United States: N. p., 2023.
Web. doi:10.1038/s41535-023-00553-y.
Bradley, Owen, Cohen-Stead, Benjamin, Johnston, Steven, Barros, Kipton, & Scalettar, Richard T. Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study. United States. https://doi.org/10.1038/s41535-023-00553-y
Bradley, Owen, Cohen-Stead, Benjamin, Johnston, Steven, Barros, Kipton, and Scalettar, Richard T. Sat .
"Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study". United States. https://doi.org/10.1038/s41535-023-00553-y. https://www.osti.gov/servlets/purl/1972733.
@article{osti_1972733,
title = {Charge order in the kagome lattice Holstein model: a hybrid Monte Carlo study},
author = {Bradley, Owen and Cohen-Stead, Benjamin and Johnston, Steven and Barros, Kipton and Scalettar, Richard T.},
abstractNote = {The Holstein model is a paradigmatic description of the electron-phonon interaction, in which electrons couple to local dispersionless phonon modes, independent of momentum. The model has been shown to host a variety of ordered ground states such as charge density wave (CDW) order and superconductivity on several geometries, including the square, honeycomb, and Lieb lattices. In this work, we study CDW formation in the Holstein model on the kagome lattice, using a recently developed hybrid Monte Carlo simulation method. We present evidence for √3 × √3 CDW order at an average electron filling of < n > = 2/3 per site, with an ordering wavevector at the K-points of the Brillouin zone. We estimate a phase transition occurring at Tc ≈ t/18, where t is the nearest-neighbor hopping parameter. Our simulations find no signature of CDW order at other electron fillings or ordering momenta for temperatures T ≥ t/20.},
doi = {10.1038/s41535-023-00553-y},
journal = {npj Quantum Materials},
number = 1,
volume = 8,
place = {United States},
year = {Sat May 06 00:00:00 EDT 2023},
month = {Sat May 06 00:00:00 EDT 2023}
}
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Works referenced in this record:
The dynamics of charge-density waves
journal, October 1988
- Grüner, G.
- Reviews of Modern Physics, Vol. 60, Issue 4
Classification of charge density waves based on their nature
journal, February 2015
- Zhu, Xuetao; Cao, Yanwei; Zhang, Jiandi
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 8
Theory of Superconductivity
journal, December 1957
- Bardeen, J.; Cooper, L. N.; Schrieffer, J. R.
- Physical Review, Vol. 108, Issue 5
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 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
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
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
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
Phonon Dispersion and the Competition between Pairing and Charge Order
journal, May 2018
- Costa, N. C.; Blommel, T.; Chiu, W. -T.
- Physical Review Letters, Vol. 120, Issue 18
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
Charge density wave and superconductivity in the disordered Holstein model
journal, February 2021
- Xiao, B.; Costa, N. C.; Khatami, E.
- Physical Review B, Vol. 103, Issue 6
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
Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model
journal, June 2013
- Johnston, S.; Nowadnick, E. A.; Kung, Y. F.
- Physical Review B, Vol. 87, Issue 23
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
Breakdown of the Migdal-Eliashberg theory: A determinant quantum Monte Carlo study
journal, April 2018
- Esterlis, I.; Nosarzewski, B.; Huang, E. W.
- Physical Review B, Vol. 97, Issue 14
Temperature-filling phase diagram of the two-dimensional Holstein model in the thermodynamic limit by self-consistent Migdal approximation
journal, January 2019
- Dee, P. M.; Nakatsukasa, K.; Wang, Y.
- Physical Review B, Vol. 99, 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
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
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
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
Ground state of the spin-1/2 kagome-lattice Heisenberg antiferromagnet
journal, November 2007
- Singh, Rajiv R. P.; Huse, David A.
- Physical Review B, Vol. 76, Issue 18
Spin-Liquid Ground State of the S = 1/2 Kagome Heisenberg Antiferromagnet
journal, April 2011
- Yan, S.; Huse, D. A.; White, S. R.
- Science, Vol. 332, Issue 6034
Gapless Spin-Liquid Ground State in the Kagome Antiferromagnet
journal, March 2017
- Liao, H. J.; Xie, Z. Y.; Chen, J.
- Physical Review Letters, Vol. 118, Issue 13
S = 1 2 kagome Heisenberg antiferromagnet revisited
journal, October 2019
- Läuchli, Andreas M.; Sudan, Julien; Moessner, Roderich
- Physical Review B, Vol. 100, Issue 15
Nematicity and fractional magnetization plateaus induced by spin-lattice coupling in the classical kagome-lattice Heisenberg antiferromagnet
journal, May 2022
- Gen, Masaki; Suwa, Hidemaro
- Physical Review B, Vol. 105, Issue 17
Mott Transition in Kagomé Lattice Hubbard Model
journal, August 2006
- Ohashi, Takuma; Kawakami, Norio; Tsunetsugu, Hirokazu
- Physical Review Letters, Vol. 97, Issue 6
Magnetic correlations around the Mott transition in the Kagomé lattice Hubbard model
journal, March 2007
- Ohashi, T.; Suga, S-i; Kawakami, N.
- Journal of Physics: Condensed Matter, Vol. 19, Issue 14
How correlations change the magnetic structure factor of the kagome Hubbard model
journal, October 2021
- Kaufmann, Josef; Steiner, Klaus; Scalettar, Richard T.
- Physical Review B, Vol. 104, Issue 16
Bond formation effects on the metal-insulator transition in the half-filled kagome Hubbard model
journal, June 2016
- Higa, Ryota; Asano, Kenichi
- Physical Review B, Vol. 93, Issue 24
Metal-insulator transition and intermediate phases in the kagome lattice Hubbard model
journal, September 2021
- Sun, Rong-Yang; Zhu, Zheng
- Physical Review B, Vol. 104, Issue 12
Unconventional Fermi Surface Instabilities in the Kagome Hubbard Model
journal, March 2013
- Kiesel, Maximilian L.; Platt, Christian; Thomale, Ronny
- Physical Review Letters, Vol. 110, Issue 12
Competing electronic orders on kagome lattices at van Hove filling
journal, March 2013
- Wang, Wan-Sheng; Li, Zheng-Zhao; Xiang, Yuan-Yuan
- Physical Review B, Vol. 87, Issue 11
Interaction-driven topological insulators on the kagome and the decorated honeycomb lattices
journal, August 2010
- Wen, Jun; Rüegg, Andreas; Wang, C. -C. Joseph
- Physical Review B, Vol. 82, Issue 7
Charge density waves in kagome-lattice extended Hubbard models at the van Hove filling
journal, August 2022
- Ferrari, Francesco; Becca, Federico; Valentí, Roser
- Physical Review B, Vol. 106, Issue 8
Quantum Monte Carlo study of the attractive kagome-lattice Hubbard model
journal, April 2023
- Zhu, Xingchuan; Han, Wanpeng; Feng, Shiping
- Physical Review Research, Vol. 5, Issue 2
Electronic properties of correlated kagomé metals AV3Sb5 (A = K, Rb, and Cs): A perspective
journal, February 2022
- Nguyen, Thanh; Li, Mingda
- Journal of Applied Physics, Vol. 131, Issue 6
New kagome prototype materials: discovery of , and
journal, September 2019
- Ortiz, Brenden R.; Gomes, Lídia C.; Morey, Jennifer R.
- Physical Review Materials, Vol. 3, Issue 9
Unconventional chiral charge order in kagome superconductor KV3Sb5
journal, June 2021
- Jiang, Yu-Xiao; Yin, Jia-Xin; Denner, M. Michael
- Nature Materials
Cascade of correlated electron states in the kagome superconductor CsV3Sb5
journal, September 2021
- Zhao, He; Li, Hong; Ortiz, Brenden R.
- Nature, Vol. 599, Issue 7884
Origin of charge density wave in the kagome metal as revealed by optical spectroscopy
journal, July 2021
- Zhou, Xiaoxiang; Li, Yongkai; Fan, Xinwei
- Physical Review B, Vol. 104, Issue 4
Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal
journal, November 2021
- Ratcliff, Noah; Hallett, Lily; Ortiz, Brenden R.
- Physical Review Materials, Vol. 5, Issue 11
Twofold van Hove singularity and origin of charge order in topological kagome superconductor CsV3Sb5
journal, January 2022
- Kang, Mingu; Fang, Shiang; Kim, Jeong-Kyu
- Nature Physics
Electron-phonon coupling in the charge density wave state of
CsV 3 Sb 5
journal, April 2022
- Xie, Yaofeng; Li, Yongkai; Bourges, Philippe
- Physical Review B, Vol. 105, Issue 14
Charge density wave order in the kagome metal
A V 3 Sb 5 ( A = Cs , Rb , K )
journal, April 2022
- Wu, Shangfei; Ortiz, Brenden R.; Tan, Hengxin
- Physical Review B, Vol. 105, Issue 15
Topological flat bands in frustrated kagome lattice CoSn
journal, August 2020
- Kang, Mingu; Fang, Shiang; Ye, Linda
- Nature Communications, Vol. 11, Issue 1
Fermion–boson many-body interplay in a frustrated kagome paramagnet
journal, August 2020
- Yin, J. -X.; Shumiya, Nana; Mardanya, Sougata
- Nature Communications, Vol. 11, Issue 1
Electronic instabilities of kagome metals: Saddle points and Landau theory
journal, July 2021
- Park, Takamori; Ye, Mengxing; Balents, Leon
- Physical Review B, Vol. 104, Issue 3
Structural instability and charge modulations in the kagome superconductor
A V 3 Sb 5
journal, June 2022
- Ye, Zijin; Luo, Aiyun; Yin, Jia-Xin
- Physical Review B, Vol. 105, Issue 24
Origin of charge density wave in the layered kagome metal
journal, January 2022
- Wang, Chongze; Liu, Shuyuan; Jeon, Hyunsoo
- Physical Review B, Vol. 105, Issue 4
Analysis of Charge Order in the Kagome Metal ( )
journal, November 2021
- Denner, M. Michael; Thomale, Ronny; Neupert, Titus
- Physical Review Letters, Vol. 127, Issue 21
Charge Density Waves and Electronic Properties of Superconducting Kagome Metals
journal, July 2021
- Tan, Hengxin; Liu, Yizhou; Wang, Ziqiang
- Physical Review Letters, Vol. 127, Issue 4
Theory of the charge density wave in kagome metals
journal, December 2021
- Christensen, Morten H.; Birol, Turan; Andersen, Brian M.
- Physical Review B, Vol. 104, Issue 21
Complex charge density waves at Van Hove singularity on hexagonal lattices: Haldane-model phase diagram and potential realization in the kagome metals ( =K, Rb, Cs)
journal, July 2021
- Lin, Yu-Ping; Nandkishore, Rahul M.
- Physical Review B, Vol. 104, Issue 4
Chiral flux phase in the Kagome superconductor AV3Sb5
journal, July 2021
- Feng, Xilin; Jiang, Kun; Wang, Ziqiang
- Science Bulletin, Vol. 66, Issue 14
Low-energy effective theory and symmetry classification of flux phases on the kagome lattice
journal, October 2021
- Feng, Xilin; Zhang, Yi; Jiang, Kun
- Physical Review B, Vol. 104, Issue 16
Optical Kagome Lattice for Ultracold Atoms with Nearest Neighbor Interactions
journal, August 2009
- Ruostekoski, J.
- Physical Review Letters, Vol. 103, Issue 8
Ultracold Atoms in a Tunable Optical Kagome Lattice
journal, January 2012
- Jo, Gyu-Boong; Guzman, Jennie; Thomas, Claire K.
- Physical Review Letters, Vol. 108, Issue 4
Quantum phases of Rydberg atoms on a kagome lattice
journal, January 2021
- Samajdar, Rhine; Ho, Wen Wei; Pichler, Hannes
- Proceedings of the National Academy of Sciences, Vol. 118, Issue 4
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
Dynamical tuning of the chemical potential to achieve a target particle number in grand canonical Monte Carlo simulations
journal, April 2022
- Miles, Cole; Cohen-Stead, Benjamin; Bradley, Owen
- Physical Review E, Vol. 105, Issue 4
ana_cont: Python package for analytic continuation
journal, January 2023
- Kaufmann, Josef; Held, Karsten
- Computer Physics Communications, Vol. 282
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
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
Sign problem in the numerical simulation of many-electron systems
journal, May 1990
- Loh, E. Y.; Gubernatis, J. E.; Scalettar, R. T.
- Physical Review B, Vol. 41, Issue 13
Revisiting the hybrid quantum Monte Carlo method for Hubbard and electron-phonon models
journal, February 2018
- Beyl, Stefan; Goth, Florian; Assaad, Fakher F.
- Physical Review B, Vol. 97, Issue 8
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
Hybrid Monte Carlo
journal, September 1987
- Duane, Simon; Kennedy, A. D.; Pendleton, Brian J.
- Physics Letters B, Vol. 195, Issue 2
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