铁氧硫属化合物Ce $_2$ O $_2$ FeSe $_2$中绝缘铁磁性的起源
Origin of insulating ferromagnetism in iron oxychalcogenide Ce$_2$O$_2$FeSe$_2$
摘要：
在准一维铁硫属化物Ce $_2$ O $_2$ FeSe $_2$中存在绝缘铁磁（FM）相，但其起源尚不清楚.要了解FM机制，这里提供了一个系统的调查，这种材料，分析铁磁和反铁磁的趋势和跳跃，库仑相互作用，洪德耦合和晶体场分裂的相互作用之间的竞争。基于二阶微扰理论的直观分析表明，双占据轨道和半填充轨道之间的大纠缠对Ce $_2$ O $_2$ FeSe $_2$的FM阶稳定起着关键作用.此外，通过多体计算技术应用于多轨道哈伯德模型，相图证实了所提出的FM机制，与实验一致。
英文摘要：
An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron chalcogenide Ce$_2$O$_2$FeSe$_2$ but its origin is unknown. To understand the FM mechanism, here a systematic investigation of this material is provided, analyzing the competition between ferromagnetic and antiferromagnetic tendencies and the interplay of hoppings, Coulomb interactions, Hund's coupling, and crystal-field splittings. Our intuitive analysis based on second-order perturbation theory shows that large entanglements between doubly-occupied and half-filled orbitals play a key role in stabilizing the FM order in Ce$_2$O$_2$FeSe$_2$. In addition, via many-body computational techniques applied to a multi-orbital Hubbard model, the phase diagram confirms the proposed FM mechanism, in agreement with experiments.
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