Magnetic orders in the hole-doped three-band Hubbard model: Spin spirals, nematicity, and ferromagnetic domain walls

Adam Chiciak, Ettore Vitali, Hao Shi, and Shiwei Zhang
Phys. Rev. B 97, 235127 – Published 15 June 2018

Abstract

The copper-oxygen planes in cuprates have been at the center of the search for a theory of high-temperature superconductivity. We conduct an extensive study of the ground state of the three-band Hubbard (Emery) model in the underdoped regime. We focus on the magnetic and charge orders, and present results from generalized Hartree-Fock (GHF) calculations. The ground-state properties at the thermodynamic limit are challenging to pin down because of sensitivity to computational details, including the shapes and sizes of the supercells. We employ large-scale computations with various technical improvements to determine the orders within GHF. The ground state exhibits a rich phase diagram with hole doping as the charge transfer energy is varied, including ferromagnetic domain walls embedded in an antiferromagnetic background, spin spirals, and nematic order.

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  • Received 17 May 2018

DOI:https://doi.org/10.1103/PhysRevB.97.235127

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Adam Chiciak1, Ettore Vitali1, Hao Shi1,2, and Shiwei Zhang1

  • 1Department of Physics, The College of William and Mary, Williamsburg, Virginia 23187, USA
  • 2Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

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Issue

Vol. 97, Iss. 23 — 15 June 2018

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