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轨道有序驱动的非共线磁体的通用晶体场设计原理

A Universal Crystal-Field Design Principle for Orbital-Order-Driven Altermagnetism

Shantanu Pathak, Saswata Bhattacharya

arXiv 2607.27693首次发表:更新:

AI 中文总结

本研究确立轨道有序驱动非共线磁体的通用晶体场设计原理,通过统一对称框架揭示层间堆叠对相态的调控,为该类非共线磁体的发现与工程化提供预测策略。

AI 中文摘要

非共线磁体(Altermagnets)结合了共线反铁磁有序与非相对论自旋劈裂,可在不依赖自旋-轨道耦合的情况下实现自旋电子学功能。尽管交错轨道有序近期成为产生非共线磁体的替代途径,但其普适性仍未被探究。本文确立了轨道有序驱动的非共线磁体的通用晶体场设计原理。研究表明,结构弛豫会持续重构晶体场环境,激活共同的$d_{xz}/d_{yz}$轨道流形,该流形在电子填充度从$d^1$到$d^7$的过渡金属化合物中,驱动自发交错轨道有序和稳健的d波非相对论自旋劈裂。通过引入基于层相关磁有序和轨道有序参数的统一对称框架,研究揭示了层间堆叠如何决定系统实现体非共线磁态还是全局补偿的反非共线磁相。此外,研究还表明这种对称保护的自旋劈裂结构会产生高度各向异性的自旋极化电导率。本研究确立了晶体场工程作为预测性设计策略,用于发现和设计轨道有序驱动的非共线磁体。

英文摘要

Altermagnets combine collinear antiferromagnetic order with nonrelativistic spin splitting, enabling spintronic functionalities without relying on spin--orbit coupling. While staggered orbital ordering has recently emerged as an alternative route to altermagnetism, its generality has remained unexplored. Here, we establish a universal crystal-field design principle for orbital-order-driven altermagnetism. We show that structural relaxation consistently reconstructs the crystal-field landscape, activating a common $d_{xz}/d_{yz}$ orbital manifold that drives spontaneous staggered orbital ordering and robust $d$-wave nonrelativistic spin splitting across transition-metal compounds spanning electron fillings from $d^1$ to $d^7$. By introducing a unified symmetry framework based on layer-dependent magnetic and orbital order parameters, we demonstrate how interlayer stacking determines whether the system realizes a bulk altermagnetic state or a globally compensated antialtermagnetic phase. Furthermore, we reveal that this symmetry-protected spin-split texture gives rise to highly anisotropic spin-polarized conductivities. Our results establish crystal-field engineering as a predictive design strategy for discovering and engineering orbital-order-driven altermagnets.

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