Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models
Abstract
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:
-
- Stanford Univ., CA (United States). Dept. of Physics; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source
- 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
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy, Joint Inst. for Advanced Materials
- Univ. of Wurzburg (Germany). Inst. for Theoretical Physics
- 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:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); U.S. Department of Defense (DOD); National Science Foundation (NSF)
- OSTI Identifier:
- 1394802
- Alternate Identifier(s):
- OSTI ID: 1180521
- Grant/Contract Number:
- AC02-06CH11357; AC02-76SF00515; AC02-05CH11231
- Resource 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)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Kung, Y. F., Chen, C. -C., Moritz, B., Johnston, S., Thomale, R., and Devereaux, T. P. Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models. United States: N. p., 2014.
Web. doi:10.1103/PhysRevB.90.224507.
Kung, Y. F., Chen, C. -C., Moritz, B., Johnston, S., Thomale, R., & Devereaux, T. P. Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models. United States. https://doi.org/10.1103/PhysRevB.90.224507
Kung, Y. F., Chen, C. -C., Moritz, B., Johnston, S., Thomale, R., and Devereaux, T. P. Fri .
"Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models". United States. https://doi.org/10.1103/PhysRevB.90.224507. https://www.osti.gov/servlets/purl/1394802.
@article{osti_1394802,
title = {Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models},
author = {Kung, Y. F. and Chen, C. -C. and Moritz, B. and Johnston, S. and Thomale, R. and Devereaux, T. P.},
abstractNote = {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.},
doi = {10.1103/PhysRevB.90.224507},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 22,
volume = 90,
place = {United States},
year = {Fri Dec 05 00:00:00 EST 2014},
month = {Fri Dec 05 00:00:00 EST 2014}
}
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