skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Influence of the Diagonal and Off-Diagonal Electron–Phonon Interactions on the Formation of Local Polarons and Their Band Structure in Materials with Strong Electron Correlations

Abstract

For systems with strong electron correlations and strong electron–phonon interaction, we analyze the electron–phonon interaction in local variables. The effects of the mutual influence of electron–electron and electron–phonon interactions that determine the structure of local Hubbard polarons are described. Using a system containing copper–oxygen layers as an example, we consider the competition between the diagonal and off-diagonal interactions of electrons with the breathing mode as the polaron band structure is formed within a corrected formulation of the polaron version of the generalized tight-binding method. The band structure of Hubbard polarons is shown to depend strongly on the temperature due to the excitation of Franck–Condon resonances. For an undoped La{sub 2}CuO{sub 4} compound we have described the evolution of the band structure and the spectral function from the hole dispersion in an antiferromagnetic insulator at low temperatures with the valence band maximum at point (π/2, π/2) to the spectrum with the maximum at point (π, π) typical for the paramagnetic phase. The polaron line width at the valence band top and its temperature dependence agree qualitatively with angle-resolved photoemission spectroscopy for undoped cuprates.

Authors:
; ; ;  [1]
  1. Russian Academy of Sciences, Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center,” Siberian Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22749853
Resource Type:
Journal Article
Journal Name:
Journal of Experimental and Theoretical Physics
Additional Journal Information:
Journal Volume: 126; Journal Issue: 5; Other Information: Copyright (c) 2018 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7761
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CUPRATES; ELECTRON CORRELATION; INTERACTIONS; LINE WIDTHS; MATHEMATICAL EVOLUTION; PHOTOELECTRON SPECTROSCOPY; POLARONS; SPECTRAL FUNCTIONS; TEMPERATURE DEPENDENCE

Citation Formats

Shneyder, E. I., E-mail: shneyder@iph.krasn.ru, Makarov, I. A., Zotova, M. V., and Ovchinnikov, S. G. Influence of the Diagonal and Off-Diagonal Electron–Phonon Interactions on the Formation of Local Polarons and Their Band Structure in Materials with Strong Electron Correlations. United States: N. p., 2018. Web. doi:10.1134/S1063776118050059.
Shneyder, E. I., E-mail: shneyder@iph.krasn.ru, Makarov, I. A., Zotova, M. V., & Ovchinnikov, S. G. Influence of the Diagonal and Off-Diagonal Electron–Phonon Interactions on the Formation of Local Polarons and Their Band Structure in Materials with Strong Electron Correlations. United States. doi:10.1134/S1063776118050059.
Shneyder, E. I., E-mail: shneyder@iph.krasn.ru, Makarov, I. A., Zotova, M. V., and Ovchinnikov, S. G. Tue . "Influence of the Diagonal and Off-Diagonal Electron–Phonon Interactions on the Formation of Local Polarons and Their Band Structure in Materials with Strong Electron Correlations". United States. doi:10.1134/S1063776118050059.
@article{osti_22749853,
title = {Influence of the Diagonal and Off-Diagonal Electron–Phonon Interactions on the Formation of Local Polarons and Their Band Structure in Materials with Strong Electron Correlations},
author = {Shneyder, E. I., E-mail: shneyder@iph.krasn.ru and Makarov, I. A. and Zotova, M. V. and Ovchinnikov, S. G.},
abstractNote = {For systems with strong electron correlations and strong electron–phonon interaction, we analyze the electron–phonon interaction in local variables. The effects of the mutual influence of electron–electron and electron–phonon interactions that determine the structure of local Hubbard polarons are described. Using a system containing copper–oxygen layers as an example, we consider the competition between the diagonal and off-diagonal interactions of electrons with the breathing mode as the polaron band structure is formed within a corrected formulation of the polaron version of the generalized tight-binding method. The band structure of Hubbard polarons is shown to depend strongly on the temperature due to the excitation of Franck–Condon resonances. For an undoped La{sub 2}CuO{sub 4} compound we have described the evolution of the band structure and the spectral function from the hole dispersion in an antiferromagnetic insulator at low temperatures with the valence band maximum at point (π/2, π/2) to the spectrum with the maximum at point (π, π) typical for the paramagnetic phase. The polaron line width at the valence band top and its temperature dependence agree qualitatively with angle-resolved photoemission spectroscopy for undoped cuprates.},
doi = {10.1134/S1063776118050059},
journal = {Journal of Experimental and Theoretical Physics},
issn = {1063-7761},
number = 5,
volume = 126,
place = {United States},
year = {2018},
month = {5}
}