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

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

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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 inter-action 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.

high-temperature superconductivityantiferromagnetic orderelectron-phonon couplingdoping effectcuprates

Chen Zhang、Cai-Xin Zhang、Su-Huai Wei、Haiqing Lin、Hui-Xiong Deng

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

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

Beijing Computational Science Research Center,Beijing 100193,China

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Key Research and Development Program of ChinaNational Key Research and Development Program of ChinaStrategic Priority Research Program of the Chinese Academy of SciencesCAS Project for Young Scientists in Basic ResearchYouth Innovation Promotion Association of Chinese Academy of Sciences

6192207711874347119910601208810161927901U22304022018YFB22001002020YFB1506400XDB0460000YSBR-026Y2021042

2024

10.100//s11433-023-2240-0

中国科学:物理学 力学 天文学(英文版)
中国科学院

中国科学:物理学 力学 天文学(英文版)

CSTPCD
影响因子：0.91
ISSN：1674-7348
年,卷(期)：2024.67(2)
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