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Title: Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models

Here, we study three proposals for broken symmetry in the cuprate pseudogap-oxygen antiferromagnetism, Theta(II) orbital loop currents, and circulating currents involving apex oxygens-through numerical exploration of multiorbital Hubbard models. Our numerically exact results show no evidence for the existence of oxygen antiferromagnetic order or the Theta(II) phase in the three-orbital Hubbard model. The model also fails to sustain an ordered current pattern even with the presence of additional apex oxygen orbitals. Thus, we conclude that it is difficult to stabilize the aforementioned phases in the multiorbital Hubbard models for parameters relevant to cuprate superconductors. However, the Theta(II) phase might be stabilized through explicit flux terms. We also found an enhanced propensity for circulating currents with such terms in calculations simulating applied stress or strain, which skew the copper-oxygen plane to resemble a kagome lattice. We propose an experimental viewpoint to shed additional light on this problem.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6]
  1. Stanford Univ., CA (United States). Dept. of Physics; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Univ. of North Dakota, Grand Forks, ND (United States). Dept. of Physics and Astrophysics
  4. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy, Joint Inst. for Advanced Materials
  5. Univ. of Wurzburg (Germany). Inst. for Theoretical Physics
  6. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-76SF00515; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 22; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); U.S. Department of Defense (DOD); National Science Foundation (NSF)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1394802
Alternate Identifier(s):
OSTI ID: 1180521