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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 Lab., 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. doi: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. doi: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 = {2018},
month = {3}
}

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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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