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arXiv 1303.4072cond-mat.supr-concond-mat.str-el
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Fe $_{1+x}$ Te中双共线反铁磁性的巡游起源:隐藏的$(π,0)$不稳定性

Hidden $(π,0)$ instability as an itinerant origin of bicollinear antiferromagnetism in Fe$_{1+x}$Te

Ming-Cui Ding, Hai-Qing Lin, Yu-Zhong Zhang

摘要:

通过计算由第一性原理能带结构转换成的最大定域Wannier轨道基上的轨道分辨泡利磁化率,发现在考虑粒子-空穴激发的轨道调制的情况下,即使没有费米面嵌套,Fe $_{1+x}$ Te的磁性仍然具有巡回起源.这导致在d $_{xz}$ /d $_{yz}$轨道中的波矢量(0,$π$)/($π$,0)处的强磁不稳定性,其负责双共线反铁磁状态,因为考虑了从过量Fe捐赠的额外电子。过量Fe和面内Fe之间的磁交换耦合进一步稳定了双共线反铁磁有序。我们的研究结果表明,磁性和超导电性的铁硫族化合物可能有不同的轨道起源,泡利磁化率的不同轨道的演变作为一个函数的浓度过剩的铁和高度的硫族原子测量从铁平面。

英文摘要:

By calculating orbitally resolved Pauli susceptibilities within maximally localized Wannier orbital basis transformed from first principles band structures, we find that magnetism in Fe$_{1+x}$Te still has its itinerant origin even without Fermi surface nesting, provided orbital modulation of particle-hole excitations are considered. This leads to strong magnetic instabilities at wave vector (0,$π$)/($π$,0) in d$_{xz}$/d$_{yz}$ orbitals that are responsible for the bicollinear antiferromagnetic state as extra electrons donated from excess Fe are considered. Magnetic exchange coupling between excess Fe and in-plane Fe further stabilizes the bicollinear antiferromagnetic order. Our results reveal that magnetism and superconductivity in iron chalcogenides may have different orbital origin, as Pauli susceptibilities of different orbitals evolve differently as a function of concentration of excess Fe and height of the chalcogen atom measured from the iron plane.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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