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Title: Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions

Abstract

We report that recent studies of pairing and charge order in materials such as FeSe, SrTiO 3, and 2H-NbSe 2 have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study Hamiltonians which either do not include or else truncate the range of Coulomb repulsion have noted that the resulting spatial nonlocality of the electron-phonon interaction leads to a dominant tendency to phase separation. Here we present quantum Monte Carlo results for such models in which we incorporate both on-site and intersite electron-electron interactions. We show that these can stabilize phases in which the density is homogeneous and determine the associated phase boundaries. As a consequence, the physics of momentum dependent electron-phonon coupling can be determined outside of the trivial phase separated regime.

Authors:
 [1];  [2];  [3];  [1]
  1. Univ. of California, Davis, CA (United States)
  2. Université Côte d'Azur, Nice (France). Centre National de la Recherche Scientifique, INPHYNI
  3. Université Côte d'Azur, Nice (France). Centre National de la Recherche Scientifique, INPHYNI; MajuLab (Singapore). Centre National de la Recherche Scientifique–UCA-SU-NUS-NTU International Joint Research Unit; National Univ. of Singapore (Singapore); Beijing Computational Science Research Center (China)
Publication Date:
Research Org.:
Univ. of California, Davis, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Research Agency
OSTI Identifier:
1597046
Alternate Identifier(s):
OSTI ID: 1515597
Grant/Contract Number:  
[SC0014671; ANR-15-IDEX-01]
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
[ Journal Volume: 99; Journal Issue: 20]; 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; Antiferromagnetism; Change order; Dynamics of phase separation; Phase diagrams; Phase transitions by order; Peierls transition; Lattice models in condensed matter; Quantum Monte Carlo

Citation Formats

Xiao, Bo, Hébert, F., Batrouni, G., and Scalettar, R. T. Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.205145.
Xiao, Bo, Hébert, F., Batrouni, G., & Scalettar, R. T. Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions. United States. doi:10.1103/PhysRevB.99.205145.
Xiao, Bo, Hébert, F., Batrouni, G., and Scalettar, R. T. Fri . "Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions". United States. doi:10.1103/PhysRevB.99.205145.
@article{osti_1597046,
title = {Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions},
author = {Xiao, Bo and Hébert, F. and Batrouni, G. and Scalettar, R. T.},
abstractNote = {We report that recent studies of pairing and charge order in materials such as FeSe, SrTiO3, and 2H-NbSe2 have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study Hamiltonians which either do not include or else truncate the range of Coulomb repulsion have noted that the resulting spatial nonlocality of the electron-phonon interaction leads to a dominant tendency to phase separation. Here we present quantum Monte Carlo results for such models in which we incorporate both on-site and intersite electron-electron interactions. We show that these can stabilize phases in which the density is homogeneous and determine the associated phase boundaries. As a consequence, the physics of momentum dependent electron-phonon coupling can be determined outside of the trivial phase separated regime.},
doi = {10.1103/PhysRevB.99.205145},
journal = {Physical Review B},
number = [20],
volume = [99],
place = {United States},
year = {2019},
month = {5}
}

Journal Article:
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Works referenced in this record:

Two-dimensional Hubbard-Holstein model
journal, August 1995


Competition Between Antiferromagnetic and Charge-Density-Wave Order in the Half-Filled Hubbard-Holstein Model
journal, December 2012


Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model
journal, June 2013


Continuous-Time Quantum Monte Carlo Study of Strong Coupling Superconductivity in Holstein–Hubbard Model
conference, June 2014

  • Yamazaki, Satoshi; Hoshino, Shintaro; Kuramoto, Yoshio
  • Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2013)
  • DOI: 10.7566/JPSCP.3.016021

Suppression of superconductivity in the Hubbard model by buckling and breathing phonons
journal, October 2012


Doping dependence of ordered phases and emergent quasiparticles in the doped Hubbard-Holstein model
journal, November 2017


Study of supersolidity in the two-dimensional Hubbard–Holstein model
journal, September 2018

  • Ghosh, Amrita; Kar, Satyaki; Yarlagadda, Sudhakar
  • The European Physical Journal B, Vol. 91, Issue 9
  • DOI: 10.1140/epjb/e2018-90350-y

Superconductivity, charge-density waves, antiferromagnetism, and phase separation in the Hubbard-Holstein model
journal, November 2017


Solution of the sign problem for the half-filled Hubbard-Holstein model
journal, November 2018


Monte Carlo simulations of one-dimensional fermion systems
journal, November 1982


Bond-order-wave phase and quantum phase transitions in the one-dimensional extended Hubbard model
journal, April 2002


Mechanism of CDW-SDW Transition in One Dimension
journal, October 1999

  • Nakamura, Masaaki
  • Journal of the Physical Society of Japan, Vol. 68, Issue 10
  • DOI: 10.1143/JPSJ.68.3123

Tricritical behavior in the extended Hubbard chains
journal, June 2000


Ground State Phases of the Half-Filled One-Dimensional Extended Hubbard Model
journal, June 2004


Phase Diagram of the One-Dimensional Extended Hubbard Model at Half Filling
journal, January 2002


Ground-state phase diagram of the one-dimensional half-filled extended Hubbard model
journal, January 2004


Dimerization in a Half-Filled One-Dimensional Extended Hubbard Model
journal, June 2004


Functional Renormalization Group Analysis of the Half-Filled One-Dimensional Extended Hubbard Model
journal, January 2006


One-dimensional metals and charge density wave effects in these materials
journal, July 1979


Intermediate Phase of the One Dimensional Half-Filled Hubbard-Holstein Model
journal, August 2005


Phase diagram of the one-dimensional Hubbard-Holstein model at half and quarter filling
journal, June 2007


Retardation effects in the Holstein-Hubbard chain at half filling
journal, April 2007


Bipolarons in the extended Holstein Hubbard model
journal, August 2001


Dominant superconducting fluctuations in the one-dimensional extended Holstein–extended Hubbard model
journal, January 2014


Phonon Dispersion and the Competition between Pairing and Charge Order
journal, May 2018


Absence of Mott Transition in an Exact Solution of the Short-Range, One-Band Model in One Dimension
journal, June 1968


Phase diagram of one-dimensional electron-phonon systems. II. The molecular-crystal model
journal, April 1983


Two-cutoff renormalization and quantum versus classical aspects for the one-dimensional electron-phonon system
journal, April 1984


The Peierls instability at T=0-a dimensional regularisation approach in the 1/N expansion
journal, July 1987


The influence of quantum lattice fluctuations on the one-dimensional Peierls instability
journal, January 1989


Destruction of Peierls dimerization in the molecular-crystal model: Effects of quantum phonon fluctuations
journal, December 1995


Superconductivity in the Half-Filled Hubbard-Holstein Model in the Antiadiabatic Region
journal, June 1996

  • Takada, Yasutami
  • Journal of the Physical Society of Japan, Vol. 65, Issue 6
  • DOI: 10.1143/JPSJ.65.1544

Unconventional superconductivity in the Hubbard-Holstein model
journal, February 1997


Metal-insulator transition in the one-dimensional Holstein model at half filling
journal, September 1999


Anharmonicity in One-Dimensional Electron–Phonon System
journal, July 2010

  • Zhao, Jize; Ueda, Kazuo
  • Journal of the Physical Society of Japan, Vol. 79, Issue 7
  • DOI: 10.1143/JPSJ.79.074602

Nature of the Peierls- to Mott-insulator transition in 1D
journal, January 2003

  • Fehske, H.; Kampf, A. P.; Sekania, M.
  • The European Physical Journal B - Condensed Matter, Vol. 31, Issue 1
  • DOI: 10.1140/epjb/e2003-00002-2

Quantum lattice dynamical effects on single-particle excitations in one-dimensional Mott and Peierls insulators
journal, April 2004


Metallicity in the half-filled Holstein-Hubbard model
journal, November 2008


Phase diagram for the one-dimensional Hubbard-Holstein model: A density-matrix renormalization group study
journal, October 2007


DMRG analysis of the SDW-CDW crossover region in the 1D half-filled Hubbard-Holstein model
journal, January 2010


Effect of Electron-Phonon Interaction Range for a Half-Filled Band in One Dimension
journal, September 2012


Effect of electron-phonon interaction range on lattice polaron dynamics: A continuous-time quantum Monte Carlo study
journal, May 2005


Bipolarons from long-range interactions: Singlet and triplet pairs in the screened Hubbard-Fröhlich model on the chain
journal, August 2009


Aspects of electron–phonon interactions with strong forward scattering in FeSe Thin Films on SrTiO 3 substrates
journal, April 2016


Extended Phonon Collapse and the Origin of the Charge-Density Wave in 2 H NbSe 2
journal, September 2011


Directly Characterizing the Relative Strength and Momentum Dependence of Electron-Phonon Coupling Using Resonant Inelastic X-Ray Scattering
journal, October 2016


One-dimensional Hubbard-Holstein model with finite-range electron-phonon coupling
journal, February 2019


Sign problem in the numerical simulation of many-electron systems
journal, May 1990


Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations
journal, May 2005


Quantum critical phenomena in one-dimensional Bose systems
journal, October 1990


“Worm” algorithm in quantum Monte Carlo simulations
journal, February 1998


Stochastic Green function algorithm
journal, May 2008