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arXiv · 2605.18453

Frustration from Localized Zhang-Rice States: A Unified Theory of Doping-Driven Magnetic Transitions in Cuprates

Xiaodong Wang·Ping Xu·Jiong Mei·Shao-Hang Shi·Zi-Xiang Li·Mingpu Qin·Kun Jiang·Hui-Ke Jin
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Abstract

The microscopic mechanism by which doped holes disrupt the antiferromagnetic order is one of the fundamental questions in cuprates. In this work, we propose a unified microscopic theory in which doped holes form spatially localized Zhang-Rice singlets which actively mediate emergent spin exchange. Rather than acting as simple non-magnetic vacancies, these localized states introduce emergent next-nearest $J_2$ and third-nearest $J_3$ neighbor superexchanges. This dopant-induced exchange pathway generates significant magnetic frustration, naturally explaining the rapid collapse of the N\'eel AFM order and the emergence of a spin-glass phase on the hole-doped side. Our findings provide a comprehensive framework for understanding the complex doping-driven magnetic phase transitions and magnetic electron-hole asymmetry in lightly doped cuprates.

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Xiaodong Wang, Ping Xu, Jiong Mei, Shao-Hang Shi, Zi-Xiang Li, Mingpu Qin, Kun Jiang, Hui-Ke Jin. 2026-05-18. Frustration from Localized Zhang-Rice States: A Unified Theory of Doping-Driven Magnetic Transitions in Cuprates. https://arxiv.org/abs/2605.18453

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