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<p>Quantum phase transitions are crucial for understanding emergent phenomena in quantum many-body systems, especially at zero temperature, where quantum fluctuations dominate. Here, we utilized the crystal structure searching method in conjunction with first-principles calculations to investigate the lithium-lead system, leading to the discovery of three exotic phases. Notably, the <i>P</i>-62<i>m</i> Li<sub>7</sub>Pb emerges as an electride with distinct <i>A-</i>type and <i>B-</i>type interstitial anion electrons (IAEs). The bilayer Kagome lattice of Li<sub>7</sub>Pb accommodates weak itinerant ferromagnetism within the stable pressure range from 20 to 45 GPa, primarily attributed to the presence of <i>B-</i>type IAEs. On the contrary, <i>A-</i>type IAEs are sensitive to charge doping, impacting the modulation of ferromagnetism. Furthermore, electron doping led to the transition of Li<sub>7</sub>Pb into a superconductor as the magnetic moment diminished, and the transition temperature could be raised from 1.6 to 3.4 K as doping intensified. This transition was facilitated by the interaction between <i>A-</i>type IAEs and phonons from the surrounding lithium lattice, showcasing a unique quantum phase transition between itinerant ferromagnetism and superconductivity in electrides. Our study not only revealed novel structures in lithium-lead systems but also established a platform for exploring quantum phase transitions in electrides.</p>

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Quantum phase transition between weak itinerant ferromagnetism and superconductivity induced by interstitial localized electrons in Li7Pb

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月24日

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  • Qing Lu,
  • Zhongwei Zhang,
  • Chi Ding,
  • Yijie Zhu,
  • Xiaomeng Wang,
  • Junjie Wang,
  • Yu Han,
  • Jian Sun

摘要

Quantum phase transitions are crucial for understanding emergent phenomena in quantum many-body systems, especially at zero temperature, where quantum fluctuations dominate. Here, we utilized the crystal structure searching method in conjunction with first-principles calculations to investigate the lithium-lead system, leading to the discovery of three exotic phases. Notably, the P-62m Li7Pb emerges as an electride with distinct A-type and B-type interstitial anion electrons (IAEs). The bilayer Kagome lattice of Li7Pb accommodates weak itinerant ferromagnetism within the stable pressure range from 20 to 45 GPa, primarily attributed to the presence of B-type IAEs. On the contrary, A-type IAEs are sensitive to charge doping, impacting the modulation of ferromagnetism. Furthermore, electron doping led to the transition of Li7Pb into a superconductor as the magnetic moment diminished, and the transition temperature could be raised from 1.6 to 3.4 K as doping intensified. This transition was facilitated by the interaction between A-type IAEs and phonons from the surrounding lithium lattice, showcasing a unique quantum phase transition between itinerant ferromagnetism and superconductivity in electrides. Our study not only revealed novel structures in lithium-lead systems but also established a platform for exploring quantum phase transitions in electrides.