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Effect of CuO2 Lattice Strain on the Electronic Structure and Properties of High-Tc Cuprate Family

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Abstract

Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the effective Hubbard model are characterized by inhomogeneous distribution of the \({\textbf {k}}\)-dependent spectral weight. Doping results in reconstruction of the band structure, redistribution of the spectral weight over dispersion surface, and reconstruction of Fermi surface from small hole pockets in the underdoped region to large hole contour in the overdoped region through two quantum phase transitions (QPT). Strain increasing leads to displacement of the valence and conductivity bands, bandwidths decreasing, and shift of the concentrations corresponding to QPTs. Strain dependences of the antiferromagnetic exchange coupling and DOS at the Fermi level determining superconducting temperature \({T_{c}}\) are obtained. Effective exchange coupling in the equation for \({T_{c}}\) demonstrates monotonic strain dependence.

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Funding

We thank the Presidium RAS program No.12 “Fundamental problems of high temperature superconductivity” for the financial support under the project 0356-2018-0063. The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science according to the research project:“Features of electron-phonon coupling in high-temperature superconductors with strong electronic correlations” No. 18-42-240017. This work was done under the State contract (FASO) No. 0389-2014-0001 and supported in part by RFBR grants No. 17-02-00015 and 18-02-00281.

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Authors and Affiliations

  1. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia

    I. A. Makarov, V. A. Gavrichkov, E. I. Shneyder & S. G. Ovchinnikov

  2. Institute for Electrophysics, Russian Academy of Sciences, Ural Branch, 620016, Ekaterinburg, Russia

    I. A. Nekrasov & A. A. Slobodchikov

  3. Rome International Center for Materials Science Superstripes (RICMASS), 00185, Roma, Italy

    A. Bianconi

  4. CNR-IC, Istituto di Cristallografia, Monterotondo, 00015, Roma, Italy

    A. Bianconi

  5. National Research Nuclear University, MEPhI, 115409, Moscow, Russia

    A. Bianconi

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  1. I. A. Makarov
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  2. V. A. Gavrichkov
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  4. I. A. Nekrasov
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Makarov, I.A., Gavrichkov, V.A., Shneyder, E.I. et al. Effect of CuO2 Lattice Strain on the Electronic Structure and Properties of High-Tc Cuprate Family. J Supercond Nov Magn 32, 1927–1935 (2019). https://doi.org/10.1007/s10948-018-4936-9

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