电子填充$n=3,4,5$的$4d$和$5d$氧化物三轨道模型中的耦合自旋轨道涨落--对$\rm NaOsO_3$、$\rm Ca_2RuO_4$和$\rm Sr_2IrO_4$的应用
Coupled spin-orbital fluctuations in a three orbital model for $4d$ and $5d$ oxides with electron fillings $n=3,4,5$ -- Application to $\rm NaOsO_3$, $\rm Ca_2RuO_4$, and $\rm Sr_2IrO_4$
摘要：
本文提出了一种研究强自旋-轨道耦合系统的自旋-轨道耦合涨落的统一方法，该系统在$d_{yz},d_{xz},d_{xy}$轨道的$t_{2g}$扇区中含有电子填充物$n=3,4,5$.本文构造了一个广义涨落传播子，它与广义自洽Hartree-Fock近似一致，其中包含了所有涉及轨道对角和非对角自旋和电荷凝聚的库仑相互作用贡献。除了低能磁振子，中能轨道和自旋轨道，和高能自旋轨道激子模式，广义谱函数还显示了其他高能激发，如Hund的耦合诱导的带隙磁振子模式。我们涉及的耦合自旋轨道激发的特性的复杂的磁性行为之间的相互作用，电子带，自旋轨道耦合，库仑相互作用，和结构畸变效应，实现在化合物$\rm NaOsO_3$，$\rm Ca_2RuO_4$，和$\rm Sr_2IrO_4$。
英文摘要：
A unified approach is presented for investigating coupled spin-orbital fluctuations within a realistic three-orbital model for strongly spin-orbit coupled systems with electron fillings $n=3,4,5$ in the $t_{2g}$ sector of $d_{yz},d_{xz},d_{xy}$ orbitals. A generalized fluctuation propagator is constructed which is consistent with the generalized self-consistent Hartree-Fock approximation where all Coulomb interaction contributions involving orbital diagonal and off-diagonal spin and charge condensates are included. Besides the low-energy magnon, intermediate-energy orbiton and spin-orbiton, and high-energy spin-orbit exciton modes, the generalized spectral function also shows other high-energy excitations such as the Hund's coupling induced gapped magnon modes. We relate the characteristic features of the coupled spin-orbital excitations to the complex magnetic behavior resulting from the interplay between electronic bands, spin-orbit coupling, Coulomb interactions, and structural distortion effects, as realized in the compounds $\rm NaOsO_3$, $\rm Ca_2RuO_4$, and $\rm Sr_2IrO_4$.
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