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Theoretical understanding of correlation between magnetic phase transition and the superconducting dome in high-Tc cuprates

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Abstract

Many issues concerning the origin of high-temperature superconductivity (HTS) are still under debate. For example, how the magnetic order varies with doping and its relationship with the superconducting temperature (Tc); and why Tc always peaks near the quantum critical point. In this paper, taking hole-doped La2CuO4 as a classical example, we employ the first-principles band structure and total energy calculations with Monte Carlo simulations to explore how the symmetry-breaking magnetic ground state evolves with hole doping and the origin of a dome-shaped superconductivity region in the phase diagram. We demonstrate that the local antiferromagnetic order and doping play key roles in determining the electron-phonon coupling, thus Tc. Initially, the La2CuO4 possesses a checkerboard local antiferromagnetic ground state. As the hole doping increases, Tc increases with the enhanced electron-phonon coupling strength. But as the doping increases further, the strength of the antiferromagnetic interaction weakens and spin fluctuation increases. At the critical doping level, a magnetic phase transition occurs that reduces the local antiferromagnetism-assisted electron-phonon coupling, thus diminishing the Tc. The superconductivity disappears in the heavily overdoped region when the ferromagnetic order dominates. These observations could account for why cuprates have a dome-shaped superconductivity region in the phase diagram. Our study, thus, contributes to a fundamental understanding of the correlation between doping, local magnetic order, and superconductivity of HTS.

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Authors and Affiliations

  1. State Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing, 100083, China

    Chen Zhang, Cai-Xin Zhang & Hui-Xiong Deng

  2. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China

    Chen Zhang & Hui-Xiong Deng

  3. Beijing Computational Science Research Center, Beijing, 100193, China

    Su-Huai Wei & Haiqing Lin

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  1. Chen Zhang
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  2. Cai-Xin Zhang
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Correspondence to Su-Huai Wei, Haiqing Lin or Hui-Xiong Deng.

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Conflict of interest The authors declare that they have no conflict of interest.

Additional information

This work was supported by the National Natural Science Foundation of China (Grant Nos. 61922077, 11874347, 11991060, 12088101, 61927901, and U2230402), the National Key Research and Development Program of China (Grant Nos. 2018YFB2200100, and 2020YFB1506400), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB0460000), and the CAS Project for Young Scientists in Basic Research (Grant No. YSBR-026). Hui-Xiong Deng was also supported by the Youth Innovation Promotion Association of Chinese Academy of Sciences (Grant No. Y2021042).

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11433_2023_2240_MOESM1_ESM.pdf

Theoretical understanding of correlation between magnetic phase transition and the superconducting dome in high-Tc cuprates

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Zhang, C., Zhang, CX., Wei, SH. et al. Theoretical understanding of correlation between magnetic phase transition and the superconducting dome in high-Tc cuprates. Sci. China Phys. Mech. Astron. 67, 227412 (2024). https://doi.org/10.1007/s11433-023-2240-0

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