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Title: Influence of magnetism and correlation on the spectral properties of doped Mott insulators

Abstract

Unraveling the nature of the doping-induced transition between a Mott insulator and a weakly correlated metal is crucial to understanding novel emergent phases in strongly correlated materials. Here, for this purpose, we study the evolution of spectral properties upon doping Mott insulating states by utilizing the cluster perturbation theory on the Hubbard and t – J -like models. Specifically, a quasifree dispersion crossing the Fermi level develops with small doping, and it eventually evolves into the most dominant feature at high doping levels. Although this dispersion is related to the free-electron hopping, our study shows that this spectral feature is, in fact, influenced inherently by both electron-electron correlation and spin-exchange interaction: the correlation destroys coherence, while the coupling between spin and mobile charge restores it in the photoemission spectrum. Due to the persistent impact of correlations and spin physics, the onset of gaps or the high-energy anomaly in the spectral functions can be expected in doped Mott insulators.

Authors:
 [1];  [2];  [3];  [4];  [5]
  1. Stanford Univ., CA (United States). Dept. of Applied Physics; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Harvard Univ., Cambridge, MA (United States). Dept. of Physics
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Univ. of North Dakota, Grand Forks, ND (United States). Dept. of Physics and Astrophysics
  3. Univ. of Alabama, Birmingham, AL (United States). Dept. of Physics
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
  5. Univ. of Warsaw (Poland). Inst. of Theoretical Physics, Faculty of Physics
Publication Date:
Research Org.:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
OSTI Identifier:
1436988
Alternate Identifier(s):
OSTI ID: 1425532
Grant/Contract Number:  
AC02-76SF00515; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 11; 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

Citation Formats

Wang, Yao, Moritz, Brian, Chen, Cheng-Chien, Devereaux, Thomas P., and Wohlfeld, Krzysztof. Influence of magnetism and correlation on the spectral properties of doped Mott insulators. United States: N. p., 2018. Web. doi:10.1103/physrevb.97.115120.
Wang, Yao, Moritz, Brian, Chen, Cheng-Chien, Devereaux, Thomas P., & Wohlfeld, Krzysztof. Influence of magnetism and correlation on the spectral properties of doped Mott insulators. United States. https://doi.org/10.1103/physrevb.97.115120
Wang, Yao, Moritz, Brian, Chen, Cheng-Chien, Devereaux, Thomas P., and Wohlfeld, Krzysztof. Thu . "Influence of magnetism and correlation on the spectral properties of doped Mott insulators". United States. https://doi.org/10.1103/physrevb.97.115120. https://www.osti.gov/servlets/purl/1436988.
@article{osti_1436988,
title = {Influence of magnetism and correlation on the spectral properties of doped Mott insulators},
author = {Wang, Yao and Moritz, Brian and Chen, Cheng-Chien and Devereaux, Thomas P. and Wohlfeld, Krzysztof},
abstractNote = {Unraveling the nature of the doping-induced transition between a Mott insulator and a weakly correlated metal is crucial to understanding novel emergent phases in strongly correlated materials. Here, for this purpose, we study the evolution of spectral properties upon doping Mott insulating states by utilizing the cluster perturbation theory on the Hubbard and t – J -like models. Specifically, a quasifree dispersion crossing the Fermi level develops with small doping, and it eventually evolves into the most dominant feature at high doping levels. Although this dispersion is related to the free-electron hopping, our study shows that this spectral feature is, in fact, influenced inherently by both electron-electron correlation and spin-exchange interaction: the correlation destroys coherence, while the coupling between spin and mobile charge restores it in the photoemission spectrum. Due to the persistent impact of correlations and spin physics, the onset of gaps or the high-energy anomaly in the spectral functions can be expected in doped Mott insulators.},
doi = {10.1103/physrevb.97.115120},
journal = {Physical Review. B},
number = 11,
volume = 97,
place = {United States},
year = {Thu Mar 01 00:00:00 EST 2018},
month = {Thu Mar 01 00:00:00 EST 2018}
}

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Cited by: 7 works
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Figures / Tables:

Figure 1 Figure 1: Spectral function A(k, ω) of the Hubbard model calculated by cluster perturbation theory (CPT) on a 4 × 4 square lattice at (a) half filling and (b) 37.5% hole doping. The spectral features at half filling are dominated by the spin physics including the spin-polaron and 3-site termmore » dispersions. The 37.5% doped system shows a cosine-like quasi-free dispersion (the dashed gray line) described by a 2D nearest-neighbor tight-binding model with renormalized hopping t = 0.66t. The calculations adopt an on-site Hubbard interaction U = 8t and a Lorentzian broadening Γ = 0.15t. The horizontal dashed lines denote the Fermi level. The insets sketch respectively the density of states for a Mott insulator and a metal.« less

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Works referenced in this record:

Phase diagram and single-particle spectrum of CuO 2 high- T c layers: variational cluster approach to the three-band Hubbard model
journal, May 2009


Canonical perturbation expansion of the Hubbard model
journal, October 1978


Spectral Function of Holes in a Quantum Antiferromagnet
journal, June 1988


Hole motion in an arbitrary spin background: Beyond the minimal spin-polaron approximation
journal, February 1998


Spectral function in the two-dimensional Hubbard model
journal, November 1991


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
  • DOI: 10.1038/nphys3117

Effect of strong correlations on the high energy anomaly in hole- and electron-doped high- T c superconductors
journal, September 2009


Quasiparticle Dispersion of the 2D Hubbard Model: From an Insulator to a Metal
journal, August 1995


Hole-doping evolution of the quasiparticle band in models of strongly correlated electrons for the high- T c cuprates
journal, September 1997


Numerically exploring the 1D-2D dimensional crossover on spin dynamics in the doped Hubbard model
journal, November 2017


Doped high- T c cuprate superconductors elucidated in the light of zeros and poles of the electronic Green’s function
journal, October 2010


Derivation of a single-band model for CuO 2 planes by a cell-perturbation method
journal, April 1992


Wick’s theorem for charged spin systems
journal, November 1989


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
  • DOI: 10.1038/nmat3723

Single-particle spectral weight of a two-dimensional Hubbard model
journal, August 1992


Doping dependence of the electron-doped cuprate superconductors from the antiferromagnetic properties of the Hubbard model
journal, August 2005


Cluster perturbation theory for Hubbard models
journal, August 2002


Kinetic exchange interaction in a narrow S-band
journal, May 1977


Kinks in the dispersion of strongly correlated electrons
journal, February 2007

  • Byczuk, K.; Kollar, M.; Held, K.
  • Nature Physics, Vol. 3, Issue 3
  • DOI: 10.1038/nphys538

Charge and spin dynamics of the two-dimensional t model in leading order of a 1/ N expansion
journal, August 1995


Ground-state energy of the Hubbard model: Cluster-perturbative results
journal, April 1998


New approach to strongly correlated systems: 1 N expansions without slave bosons
journal, October 1988


Quasiparticle dispersion of the t - J and Hubbard models
journal, May 1995


Spectral Weight of the Hubbard Model through Cluster Perturbation Theory
journal, January 2000


Effective Hamiltonian for the superconducting Cu oxides
journal, March 1988


Spin polarons in the t - t ′- J model
journal, August 1995


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
  • DOI: 10.1038/ncomms4714

Charge dynamics of the antiferromagnetically ordered Mott insulator
journal, October 2016


String excitations of a hole in a quantum antiferromagnet and photoelectron spectroscopy
journal, January 2007


Temperature and Doping Dependence of the High-Energy Kink in Cuprates
journal, January 2008


Single-Particle Excitations in Magnetic Insulators
journal, September 1970


The Resonating Valence Bond State in La2CuO4 and Superconductivity
journal, March 1987


Interacting Electrons and Quantum Magnetism
book, January 1994


Extremely correlated Fermi liquid theory of the t-J model in 2 dimensions: low energy properties
journal, January 2018


Single-particle excitations in a quantum antiferromagnet
journal, February 1990


Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
journal, December 2015

  • LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico
  • Physical Review X, Vol. 5, Issue 4
  • DOI: 10.1103/PhysRevX.5.041041

Doping evolution of spin and charge excitations in the Hubbard model
journal, November 2015


T ≥ 0 properties of the infinitely repulsive Hubbard model for an arbitrary number of holes
journal, March 2001


Quantum magnetic excitations from stripes in copper oxide superconductors
journal, June 2004

  • Tranquada, J. M.; Woo, H.; Perring, T. G.
  • Nature, Vol. 429, Issue 6991
  • DOI: 10.1038/nature02574

Raman and fluorescence characteristics of resonant inelastic X-ray scattering from doped superconducting cuprates
journal, January 2016

  • Huang, H. Y.; Jia, C. J.; Chen, Z. Y.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep19657

A renormalised Hamiltonian approach to a resonant valence bond wavefunction
journal, June 1988


Fermi surface and dynamics of the t - J model at moderate doping
journal, April 1991


Origin of strong dispersion in Hubbard insulators
journal, August 2015


Tendency towards Local Spin Compensation of Holes in the High- T c Copper Compounds
journal, September 1988


Strength of correlations in electron- and hole-doped cuprates
journal, June 2010

  • Weber, Cédric; Haule, Kristjan; Kotliar, Gabriel
  • Nature Physics, Vol. 6, Issue 8
  • DOI: 10.1038/nphys1706

Optical absorption in the canted antiferromagnetic phase of a t - J model
journal, January 1992


Metal-insulator transitions
journal, October 1998

  • Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
  • Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
  • DOI: 10.1103/RevModPhys.70.1039

Large- N expansion based on the Hubbard operator path integral representation and its application to the t J model
journal, April 2002


The density-matrix renormalization group
journal, April 2005


Spectral properties near the Mott transition in the two-dimensional t J model
journal, August 2015


Anomalous low-doping phase of the Hubbard model
journal, August 2000


Pseudogap formation in the half-filled Hubbard model
journal, January 1993


Evolution of Electronic Structure of Doped Mott Insulators: Reconstruction of Poles and Zeros of Green’s Function
journal, February 2009


Two Hubbard Bands: Weight Transfer in Optical and One-Particle Spectra
journal, August 1994


Holes in the infinite- U Hubbard model: Instability of the Nagaoka state
journal, October 1989


Interaction of holes in a Hubbard antiferromagnet and high-temperature superconductivity
journal, February 1988


Anomalous superconductivity and its competition with antiferromagnetism in doped Mott insulators
journal, May 2008


Universality of pseudogap and emergent order in lightly doped Mott insulators
journal, September 2016

  • Battisti, I.; Bastiaans, K. M.; Fedoseev, V.
  • Nature Physics, Vol. 13, Issue 1
  • DOI: 10.1038/nphys3894

Anisotropic softening of magnetic excitations along the nodal direction in superconducting cuprates
journal, December 2014

  • Guarise, M.; Piazza, B. Dalla; Berger, H.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6760

Single-Particle and Optical Excitations in Doped Mott- Hubbard Insulators
journal, March 1992

  • Stephan, Walter; Horsch, Peter
  • International Journal of Modern Physics B, Vol. 06, Issue 05n06
  • DOI: 10.1142/S0217979292000372

Lattice symmetry breaking in cuprate superconductors: stripes, nematics, and superconductivity
journal, November 2009


Antiferromagnetically Induced Photoemission Band in the Cuprates
journal, May 1995


Strong-Coupling Expansion for the Hubbard Model
journal, June 1998

  • Pairault, Stéphane; Sénéchal, David; Tremblay, A. -M. S.
  • Physical Review Letters, Vol. 80, Issue 24
  • DOI: 10.1103/PhysRevLett.80.5389

Numerical evidence of fluctuating stripes in the normal state of high- T c cuprate superconductors
journal, November 2017


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
  • DOI: 10.1038/nphys2041

Theory of Underdoped Cuprates
journal, January 1996


Range of the t - J model parameters for CuO 2 planes: Experimental data constraints
journal, November 1994


Motion of a single hole in a quantum antiferromagnet
journal, April 1989


Hidden Fermionic Excitation Boosting High-Temperature Superconductivity in Cuprates
journal, February 2016


Hidden-fermion representation of self-energy in pseudogap and superconducting states of the two-dimensional Hubbard model
journal, September 2016


Superconductivity and the Pseudogap in the Two-Dimensional Hubbard Model
journal, May 2013


Consistent low-energy reduction of the three-band model for copper oxides with O-O hopping to the effective t - J model
journal, April 1994


Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
journal, January 1996

  • Georges, Antoine; Kotliar, Gabriel; Krauth, Werner
  • Reviews of Modern Physics, Vol. 68, Issue 1
  • DOI: 10.1103/RevModPhys.68.13

Weak phase separation and the pseudogap in the electron-doped cuprates
journal, October 2005


Mott Transition in the Two-Dimensional Hubbard Model
journal, February 2012


Doping a Mott insulator: Physics of high-temperature superconductivity
journal, January 2006

  • Lee, Patrick A.; Nagaosa, Naoto; Wen, Xiao-Gang
  • Reviews of Modern Physics, Vol. 78, Issue 1
  • DOI: 10.1103/RevModPhys.78.17

Signatures of strong correlation effects in resonant inelastic x-ray scattering studies on cuprates
journal, August 2016


Variational Cluster Approach to Correlated Electron Systems in Low Dimensions
journal, November 2003


One-electron self-energies and spectral functions for the t J model in the large- N limit
journal, June 2006


Strong-coupling perturbation theory of the Hubbard model
journal, June 2000

  • Pairault, S.; Sénéchal, D.; Tremblay, A. -M. S.
  • The European Physical Journal B, Vol. 16, Issue 1
  • DOI: 10.1007/s100510070253

Spin polarons in the t - J model
journal, July 1991


High-Energy Kink in the Single-Particle Spectra of the Two-Dimensional Hubbard Model
journal, December 2007


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
  • DOI: 10.1038/ncomms4314

Metal-insulator transitions
journal, June 1991


Spin polarons in the t-t′-J model
journal, February 1995


T 0 properties of the infinitely repulsive Hubbard model for an arbitrary number of holes
journal, March 2001


Temperature and doping dependence of high-energy kink in cuprates
text, January 2007


Intense paramagnon excitations in a large family of high-temperature superconductors
text, January 2011


Asymmetry of collective excitations in electron and hole doped cuprate superconductors
text, January 2013


Origin of Strong Dispersion in Hubbard Insulators
text, January 2015


Universality of pseudogap and emergent order in lightly doped Mott insulators
text, January 2016


Numerical evidence of fluctuating stripes in the normal state of high-Tc cuprate superconductors
text, January 2016


Anomalous low doping phase of the Hubbard model
text, January 2000


Quantum Magnetic Excitations from Stripes in Copper-Oxide Superconductors
text, January 2004


The density-matrix renormalization group
text, January 2004


High energy kink in the single particle spectra of the two-dimensional Hubbard model
text, January 2007


Range of the t--J model parameters for CuO$_{2}$ plane: experimental data constraints
text, January 1994


Quasiparticle Dispersion of the 2D Hubbard Model: From an Insulator to a Metal
text, January 1994


Quasiparticle dispersion of the t-J and Hubbard models
text, January 1994


Strong-Coupling Expansion for the Hubbard Model
text, January 1997


The diffusion coefficient and the adsorption and desorption rate constants of oxygen in YBa2Cu3O6.9
journal, October 1988


Effective Exchange Interactions and Magnetic Ground State of Strongly Correlated Electrons
journal, August 1978


Gas diffusion electrode producing perhydroxyl ions: Calculation of concentration distribution of oxygen and HO2- ions in porous electrode particles
journal, January 1977

  • Špalek, O.
  • Collection of Czechoslovak Chemical Communications, Vol. 42, Issue 9
  • DOI: 10.1135/cccc19772747

Works referencing / citing this record:

Effect of Short-Range Correlations on Spectral Properties of Doped Mott Insulators
journal, November 2018

  • Kuz’min, Valerii; Nikolaev, Sergey; Ovchinnikov, Sergey
  • Journal of Superconductivity and Novel Magnetism, Vol. 32, Issue 7
  • DOI: 10.1007/s10948-018-4927-x

Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.