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:
-
- 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
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Dept. of Physics
- 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
- 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}
}
Web of Science
Figures / Tables:

Works referenced in this record:
Doping evolution of the oxygen -edge x-ray absorption spectra of cuprate superconductors using a three-orbital Hubbard model
journal, April 2013
- Chen, C. -C.; Sentef, M.; Kung, Y. F.
- Physical Review B, Vol. 87, Issue 16
Plane dimpling and saddle-point bifurcation in the band structures of optimally doped high-temperature superconductors: A tight-binding model
journal, February 1994
- Andersen, O. K.; Jepsen, O.; Liechtenstein, A. I.
- Physical Review B, Vol. 49, Issue 6
Correlation of the superconducting critical temperature with spin and orbital excitations in as measured by resonant inelastic x-ray scattering
journal, September 2015
- Ellis, David Shai; Huang, Yao-Bo; Olalde-Velasco, Paul
- Physical Review B, Vol. 92, Issue 10
Accurate Prediction of Large Antiferromagnetic Interactions in High- ( ) Superconductor Parent Compounds
journal, February 2000
- Muñoz, D.; Illas, F.; de P. R. Moreira, I.
- Physical Review Letters, Vol. 84, Issue 7
Using RIXS to Uncover Elementary Charge and Spin Excitations
journal, May 2016
- Jia, Chunjing; Wohlfeld, Krzysztof; Wang, Yao
- Physical Review X, Vol. 6, Issue 2
Spin–orbital separation in the quasi-one-dimensional Mott insulator Sr2CuO3
journal, April 2012
- Schlappa, J.; Wohlfeld, K.; Zhou, K. J.
- Nature, Vol. 485, Issue 7396
Calculation of Coulomb-interaction parameters for using a constrained-density-functional approach
journal, May 1989
- Hybertsen, Mark S.; Schlüter, Michael; Christensen, Niels E.
- Physical Review B, Vol. 39, Issue 13
Charge-transfer gap and superexchange interaction in insulating cuprates
journal, March 1991
- Ohta, Y.; Tohyama, T.; Maekawa, S.
- Physical Review Letters, Vol. 66, Issue 9
Electronic band properties and superconductivity in
journal, March 1987
- Mattheiss, L. F.
- Physical Review Letters, Vol. 58, Issue 10
Dispersion of Magnetic Excitations in the Cuprate and Compounds Measured Using Resonant X-Ray Scattering
journal, April 2009
- Braicovich, L.; Ament, L. J. P.; Bisogni, V.
- Physical Review Letters, Vol. 102, Issue 16
From quantum matter to high-temperature superconductivity in copper oxides
journal, February 2015
- Keimer, B.; Kivelson, S. A.; Norman, M. R.
- Nature, Vol. 518, Issue 7538
Asymmetry of collective excitations in electron- and hole-doped cuprate superconductors
journal, October 2014
- Lee, W. S.; Lee, J. J.; Nowadnick, E. A.
- Nature Physics, Vol. 10, Issue 11
Influence of apical oxygen on the extent of in-plane exchange interaction in cuprate superconductors
journal, August 2017
- Peng, Y. Y.; Dellea, G.; Minola, M.
- Nature Physics, Vol. 13, Issue 12
Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo data
journal, May 1996
- Jarrell, Mark; Gubernatis, J. E.
- Physics Reports, Vol. 269, Issue 3
Improved finite-lattice estimates of the properties of two quantum spin models on the infinite square lattice
journal, September 1999
- Betts, D. D.; Lin, H. Q.; Flynn, J. S.
- Canadian Journal of Physics, Vol. 77, Issue 5
Correlated electrons in high-temperature superconductors
journal, July 1994
- Dagotto, Elbio
- Reviews of Modern Physics, Vol. 66, Issue 3
Intense paramagnon excitations in a large family of high-temperature superconductors
journal, July 2011
- Le Tacon, M.; Ghiringhelli, G.; Chaloupka, J.
- Nature Physics, Vol. 7, Issue 9
Maximum entropy analysis of oversampled data problems
journal, April 1990
- Bryan, R. K.
- European Biophysics Journal, Vol. 18, Issue 3
Anomalous behavior of and pseudogap in the superconductor with respect to doping and ion size
journal, December 2014
- Tallon, J. L.
- Physical Review B, Vol. 90, Issue 21
Persistence of magnetic excitations in La2−xSrxCuO4 from the undoped insulator to the heavily overdoped non-superconducting metal
journal, August 2013
- Dean, M. P. M.; Dellea, G.; Springell, R. S.
- Nature Materials, Vol. 12, Issue 11
Spin Alignment in the Superconducting State
journal, November 1959
- Anderson, P. W.; Suhl, H.
- Physical Review, Vol. 116, Issue 4
Relationship between the parent charge transfer gap and maximum transition temperature in cuprates
journal, December 2016
- Ruan, Wei; Hu, Cheng; Zhao, Jianfa
- Science Bulletin, Vol. 61, Issue 23
High-Energy Magnetic Excitations in the Cuprate Superconductor : Towards a Unified Description of Its Electronic and Magnetic Degrees of Freedom
journal, April 2013
- Dean, M. P. M.; James, A. J. A.; Springell, R. S.
- Physical Review Letters, Vol. 110, Issue 14
Effective Hamiltonian for the superconducting Cu oxides
journal, March 1988
- Zhang, F. C.; Rice, T. M.
- Physical Review B, Vol. 37, Issue 7
How to detect fluctuating stripes in the high-temperature superconductors
journal, October 2003
- Kivelson, S. A.; Bindloss, I. P.; Fradkin, E.
- Reviews of Modern Physics, Vol. 75, Issue 4
Relation between cuprate superconductivity and magnetism: A Raman study of
journal, September 2014
- Wulferding, Dirk; Shay, Meni; Drachuck, Gil
- Physical Review B, Vol. 90, Issue 10
Apex oxygen and critical temperature in copper oxide superconductors: Universal correlation with the stability of local singlets
journal, February 1991
- Ohta, Y.; Tohyama, T.; Maekawa, S.
- Physical Review B, Vol. 43, Issue 4
High-energy spin and charge excitations in electron-doped copper oxide superconductors
journal, April 2014
- Ishii, K.; Fujita, M.; Sasaki, T.
- Nature Communications, Vol. 5, Issue 1
Theory of high- superconductivity in oxides
journal, June 1987
- Emery, V. J.
- Physical Review Letters, Vol. 58, Issue 26
Perspective on the phase diagram of cuprate high-temperature superconductors
journal, May 2016
- Rybicki, Damian; Jurkutat, Michael; Reichardt, Steven
- Nature Communications, Vol. 7, Issue 1
Charge transfer excitations and superconductivity in “ionic” metals
journal, June 1987
- Varma, C. M.; Schmitt-Rink, S.; Abrahams, Elihu
- Solid State Communications, Vol. 62, Issue 10
Theory of the waterfall phenomenon in cuprate superconductors
journal, April 2011
- Katagiri, D.; Seki, K.; Eder, R.
- Physical Review B, Vol. 83, Issue 16
Canonical perturbation theory and the two-band model for high- superconductors
journal, June 1988
- Zaanen, Jan; Oleś, Andrzej M.
- Physical Review B, Vol. 37, Issue 16
Persistent spin excitations in doped antiferromagnets revealed by resonant inelastic light scattering
journal, February 2014
- Jia, C. J.; Nowadnick, E. A.; Wohlfeld, K.
- Nature Communications, Vol. 5, Issue 1
Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo
journal, April 2016
- Kung, Y. F.; Chen, C. -C.; Wang, Yao
- Physical Review B, Vol. 93, Issue 15
LDA energy bands, low-energy hamiltonians, t′, t″, t⊥ (k), and J⊥
journal, December 1995
- Andersen, O. K.; Liechtenstein, A. I.; Jepsen, O.
- Journal of Physics and Chemistry of Solids, Vol. 56, Issue 12
Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy
journal, November 2012
- Weber, C.; Yee, C.; Haule, K.
- EPL (Europhysics Letters), Vol. 100, Issue 3
Transition temperature in copper-oxide superconductors correlated with energy level of apical oxygen
journal, March 1990
- Ohta, Y.; Tohyama, T.; Maekawa, S.
- Physica C: Superconductivity, Vol. 166, Issue 3-4
A common thread: The pairing interaction for unconventional superconductors
journal, October 2012
- Scalapino, D. J.
- Reviews of Modern Physics, Vol. 84, Issue 4
Dielectric versus Magnetic Pairing Mechanisms in High-Temperature Cuprate Superconductors Investigated Using Raman Scattering
journal, December 2013
- Mallett, B. P. P.; Wolf, T.; Gilioli, E.
- Physical Review Letters, Vol. 111, Issue 23
The relationship between bond-valence sums and Tc in cuprate superconductors
journal, June 1990
- Tallon, Jeffery L.
- Physica C: Superconductivity, Vol. 168, Issue 1-2
Derivation of effective spin models from a three band model for CuO -planes
journal, July 2002
- Müller-Hartmann, E.; Reischl, A.
- The European Physical Journal B, Vol. 28, Issue 2
Works referencing / citing this record:
Dispersion, damping, and intensity of spin excitations in the monolayer cuprate superconductor family
journal, October 2018
- Peng, Y. Y.; Huang, E. W.; Fumagalli, R.
- Physical Review B, Vol. 98, Issue 14
Figures / Tables found in this record: