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Title: Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model

Abstract

Understanding spin excitations and their connection to unconventional superconductivity have remained central issues since the discovery of cuprates. Direct measurement of the dynamical spin structure factor in the parent compounds can provide key information on important interactions relevant in the doped regime, and variations in the magnon dispersion have been linked closely to differences in crystal structure between families of cuprate compounds. In this paper, we elucidate the relationship between spin excitations and various controlling factors thought to be significant in high-Tc materials by systematically evaluating the dynamical spin structure factor for the three-orbital Hubbard model, revealing differences in the spin dispersion along the Brillouin zone axis and the diagonal. Generally, we find that the absolute energy scale and momentum dependence of the excitations primarily are sensitive to the effective charge-transfer energy, while changes in the on-site Coulomb interactions have little effect on the details of the dispersion. In particular, our result highlights the splitting between spin excitations along the axial and diagonal directions in the Brillouin zone. Finally, this splitting decreases with increasing charge-transfer energy and correlates with changes in the apical oxygen position, and general structural variations, for different cuprate families.

Authors:
 [1];  [2];  [3];  [4]
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Dept. of Applied Physics; Harvard Univ., Cambridge, MA (United States). Dept. of Physics
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Dept. of Physics
  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. 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.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1457783
Alternate Identifier(s):
OSTI ID: 1441108
Grant/Contract Number:  
AC02-76SF00515; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 120; Journal Issue: 24; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; magnons; spin density waves; spin fluctuations; spin waves; superconductivity; charge-transfer insulators; unconventional superconductors; neutron scattering; resonant inelastic x-ray scattering

Citation Formats

Wang, Yao, Huang, Edwin W., Moritz, Brian, and Devereaux, Thomas P. Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model. United States: N. p., 2018. Web. doi:10.1103/physrevlett.120.246401.
Wang, Yao, Huang, Edwin W., Moritz, Brian, & Devereaux, Thomas P. Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model. United States. doi:10.1103/physrevlett.120.246401.
Wang, Yao, Huang, Edwin W., Moritz, Brian, and Devereaux, Thomas P. Mon . "Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model". United States. doi:10.1103/physrevlett.120.246401. https://www.osti.gov/servlets/purl/1457783.
@article{osti_1457783,
title = {Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model},
author = {Wang, Yao and Huang, Edwin W. and Moritz, Brian and Devereaux, Thomas P.},
abstractNote = {Understanding spin excitations and their connection to unconventional superconductivity have remained central issues since the discovery of cuprates. Direct measurement of the dynamical spin structure factor in the parent compounds can provide key information on important interactions relevant in the doped regime, and variations in the magnon dispersion have been linked closely to differences in crystal structure between families of cuprate compounds. In this paper, we elucidate the relationship between spin excitations and various controlling factors thought to be significant in high-Tc materials by systematically evaluating the dynamical spin structure factor for the three-orbital Hubbard model, revealing differences in the spin dispersion along the Brillouin zone axis and the diagonal. Generally, we find that the absolute energy scale and momentum dependence of the excitations primarily are sensitive to the effective charge-transfer energy, while changes in the on-site Coulomb interactions have little effect on the details of the dispersion. In particular, our result highlights the splitting between spin excitations along the axial and diagonal directions in the Brillouin zone. Finally, this splitting decreases with increasing charge-transfer energy and correlates with changes in the apical oxygen position, and general structural variations, for different cuprate families.},
doi = {10.1103/physrevlett.120.246401},
journal = {Physical Review Letters},
number = 24,
volume = 120,
place = {United States},
year = {2018},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 3 works
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Figures / Tables:

FIG. 1 FIG. 1: (a) A sketch of the three-orbital model for cuprates with blue and red colors denoting positive and negative lobes of the orbital wavefunctions ($d$$x$2 −$y$2 for copper and $p$$x/y$ for oxygen). Arrows indicate the kinetic energy, or hopping, terms $t$$pd$ and $t$$pp$. (b,c) The spin structure factor alongmore » the (b) nodal and (c) antinodal directions calculated using DQMC at various temperatures (colored lines from red to blue) and ED at zero temperatures $T$ = 1/$β$ (shaded black curves). An ad hoc Lorentzian broadening (HWHM) $Γ$ = 30meV has been adopted in the ED calculations to approximate final state lifetime effects. The gray dashed lines denote the magnon energies $E$magnon, while the black arrow defines the magnon energy splitting $ΔE$AFZB.« less

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    Works referencing / citing this record:

    Dispersion, damping, and intensity of spin excitations in the monolayer ( Bi,Pb ) 2 ( Sr,La ) 2 CuO 6 + δ cuprate superconductor family
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      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.