Numerical exploration of spontaneous broken symmetries in multiorbital Hubbard models

Kung, Y. F.; Chen, C. -C.; Moritz, B.; Johnston, S.; Thomale, R.; Devereaux, T. P.

doi:10.1103/PhysRevB.90.224507

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

Journal Article · Fri Dec 05 00:00:00 EST 2014 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.90.224507· OSTI ID:1394802

Kung, Y. F. ^[1]; Chen, C. -C. ^[2]; Moritz, B. ^[3]; Johnston, S. ^[4]; Thomale, R. ^[5]; Devereaux, T. P. ^[6]

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

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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); U.S. Department of Defense (DOD); National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; AC02-76SF00515; AC02-05CH11231

OSTI ID:: 1394802

Alternate ID(s):: OSTI ID: 1180521

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 90, Issue 22; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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