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Title: Phenomenological three-orbital spin-fermion model for cuprates

Abstract

A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is proposed and investigated via Monte Carlo simulations. The strong Coulomb repulsion among d electrons in the Cu orbitals is phenomenologically replaced by an exchange coupling between the spins of the itinerant electrons and localized spins at the Cu sites, formally similar to double-exchange models for manganites. This interaction induces a charge-transfer insulator gap in the undoped case (five electrons per unit cell). Adding a small antiferromagnetic Heisenberg coupling between localized spins reinforces the global tendency towards antiferromagnetic order. To perform numerical calculations the localized spins are considered classical as in previous related efforts. Here, undoped and doped 8×8 clusters are analyzed in a wide range of temperatures. The numerical results reproduce experimental features in the one-particle spectral function and the density of states, such as: (i) the formation of a Zhang-Rice-like band with a dispersion on the order of ~0.5 eV and with rotational symmetry about the wave-vector (π/2,π/2) at the top of the band and (ii) the opening of a pseudogap at the chemical potential upon doping. We also observed incipient tendencies towards spin incommensurability. This simple model allows for an unbiased study ofmore » charge-transfer insulators and offers a formalism intermediate between standard mean-field approximations that fail at finite temperatures in regimes with short-range order and sophisticated quantum Monte Carlo techniques that suffer sign problems.« less

Authors:
 [1];  [2];  [1];  [1]
  1. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Universität Stuttgart (Germany)
Publication Date:
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)
OSTI Identifier:
1546552
Alternate Identifier(s):
OSTI ID: 1460749
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; superconducting cuprates; charge-transfer insulator; multi-orbital models

Citation Formats

Hussein, Mostafa Sherif Derbala Aly, Daghofer, Maria, Dagotto, Elbio, and Moreo, Adriana. Phenomenological three-orbital spin-fermion model for cuprates. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.035124.
Hussein, Mostafa Sherif Derbala Aly, Daghofer, Maria, Dagotto, Elbio, & Moreo, Adriana. Phenomenological three-orbital spin-fermion model for cuprates. United States. doi:10.1103/PhysRevB.98.035124.
Hussein, Mostafa Sherif Derbala Aly, Daghofer, Maria, Dagotto, Elbio, and Moreo, Adriana. Wed . "Phenomenological three-orbital spin-fermion model for cuprates". United States. doi:10.1103/PhysRevB.98.035124. https://www.osti.gov/servlets/purl/1546552.
@article{osti_1546552,
title = {Phenomenological three-orbital spin-fermion model for cuprates},
author = {Hussein, Mostafa Sherif Derbala Aly and Daghofer, Maria and Dagotto, Elbio and Moreo, Adriana},
abstractNote = {A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is proposed and investigated via Monte Carlo simulations. The strong Coulomb repulsion among d electrons in the Cu orbitals is phenomenologically replaced by an exchange coupling between the spins of the itinerant electrons and localized spins at the Cu sites, formally similar to double-exchange models for manganites. This interaction induces a charge-transfer insulator gap in the undoped case (five electrons per unit cell). Adding a small antiferromagnetic Heisenberg coupling between localized spins reinforces the global tendency towards antiferromagnetic order. To perform numerical calculations the localized spins are considered classical as in previous related efforts. Here, undoped and doped 8×8 clusters are analyzed in a wide range of temperatures. The numerical results reproduce experimental features in the one-particle spectral function and the density of states, such as: (i) the formation of a Zhang-Rice-like band with a dispersion on the order of ~0.5 eV and with rotational symmetry about the wave-vector (π/2,π/2) at the top of the band and (ii) the opening of a pseudogap at the chemical potential upon doping. We also observed incipient tendencies towards spin incommensurability. This simple model allows for an unbiased study of charge-transfer insulators and offers a formalism intermediate between standard mean-field approximations that fail at finite temperatures in regimes with short-range order and sophisticated quantum Monte Carlo techniques that suffer sign problems.},
doi = {10.1103/PhysRevB.98.035124},
journal = {Physical Review B},
number = 3,
volume = 98,
place = {United States},
year = {2018},
month = {7}
}

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