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Title: Phase competition in a one-dimensional three-orbital Hubbard-Holstein model

Journal Article · · Physical Review B
 [1];  [2]; ORCiD logo [3];  [4]
  1. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy
  2. Virginia Tech, Blacksburg, VA (United States). Department of Physics
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS) and Computational Sciences and Engineering Division
  4. Univ. of Tennessee, Knoxville, TN (United States). Department of Physics and Astronomy and Joint Institute of Advanced Materials

Here, we study the interplay between the electron-phonon (e-ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e and e-ph interactions, we observe a competition between an orbital-selective Mott phase (OSMP) and a (multicomponent) charge-density-wave (CDW) insulating phase, with an intermediate metallic phase located between them. Additionally, for large e-e and e-ph couplings, the OSMP and CDW phases persist, while the metallic phase develops short-range orbital correlations and becomes insulating when both the e-e and e-ph interactions are large but comparable. Many of our conclusions are in line with those drawn from a prior dynamical mean-field theory study of the two-orbital Hubbard-Holstein model [Phys. Rev. B 95, 121112(R) (2017)] in infinite dimension, suggesting that the competition between the e-ph and e-e interactions in multiorbital Hubbard-Holstein models leads to rich physics, regardless of the dimension of the system.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1474640
Alternate ID(s):
OSTI ID: 1436823
Journal Information:
Physical Review B, Vol. 97, Issue 19; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

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Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe 2 S 3 under pressure journal November 2018

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