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Title: Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ; ORCiD logo [4] ;  [4] ;  [2] ;  [1]
  1. The Univ. of Tennessee, Knoxville, TN (United States)
  2. The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
OSTI Identifier:
1376329
Alternate Identifier(s):
OSTI ID: 1335198

Li, S., Kaushal, N., Wang, Y., Tang, Y., Alvarez, G., Nocera, Alberto, Maier, T. A., Dagotto, E., and Johnston, S.. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model. United States: N. p., Web. doi:10.1103/PhysRevB.94.235126.
Li, S., Kaushal, N., Wang, Y., Tang, Y., Alvarez, G., Nocera, Alberto, Maier, T. A., Dagotto, E., & Johnston, S.. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model. United States. doi:10.1103/PhysRevB.94.235126.
Li, S., Kaushal, N., Wang, Y., Tang, Y., Alvarez, G., Nocera, Alberto, Maier, T. A., Dagotto, E., and Johnston, S.. 2016. "Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model". United States. doi:10.1103/PhysRevB.94.235126. https://www.osti.gov/servlets/purl/1376329.
@article{osti_1376329,
title = {Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model},
author = {Li, S. and Kaushal, N. and Wang, Y. and Tang, Y. and Alvarez, G. and Nocera, Alberto and Maier, T. A. and Dagotto, E. and Johnston, S.},
abstractNote = {Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.},
doi = {10.1103/PhysRevB.94.235126},
journal = {Physical Review B},
number = 23,
volume = 94,
place = {United States},
year = {2016},
month = {12}
}