氟化铱中实现自旋轨道诱导关联物理的可能性
Possibility to realize spin-orbit-induced correlated physics in iridium fluorides
摘要：
最近的理论预测的“前所未有的接近”的电子基态的氟化铱的SU（2）对称$j_{\mathrm{eff}}=1/2$限制，相关的超导电性的铱酸盐，促使我们研究它们的晶体和电子结构。为此，我们进行了高分辨率的X射线粉末衍射，Ir L $_3$ -边缘共振非弹性X射线散射，和Rb $_2$ [IrF $_6$ ]和其他氟化铱的量子化学计算。我们的结果与Birol和Haule预测的Mott绝缘方案一致[Phys. Rev. Lett. 114，096403（2015）]，但是我们观察到$j_{\mathrm{eff}}=1/2$态与SU（2）对称极限的相当大的偏差。超过铱的第一配位壳层的相互作用可以忽略不计，因此氟化铱在至少20 K下不显示任何磁有序。一个更大的自旋-轨道耦合氟化铱氧化物相比，归因于共价度的减少，与后果的可能性，实现自旋-轨道诱导的强相关物理氟化铱。
英文摘要：
Recent theoretical predictions of "unprecedented proximity" of the electronic ground state of iridium fluorides to the SU(2) symmetric $j_{\mathrm{eff}}=1/2$ limit, relevant for superconductivity in iridates, motivated us to investigate their crystal and electronic structure. To this aim, we performed high-resolution x-ray powder diffraction, Ir L$_3$-edge resonant inelastic x-ray scattering, and quantum chemical calculations on Rb$_2$[IrF$_6$] and other iridium fluorides. Our results are consistent with the Mott insulating scenario predicted by Birol and Haule [Phys. Rev. Lett. 114, 096403 (2015)], but we observe a sizable deviation of the $j_{\mathrm{eff}}=1/2$ state from the SU(2) symmetric limit. Interactions beyond the first coordination shell of iridium are negligible, hence the iridium fluorides do not show any magnetic ordering down to at least 20 K. A larger spin-orbit coupling in iridium fluorides compared to oxides is ascribed to a reduction of the degree of covalency, with consequences on the possibility to realize spin-orbit-induced strongly correlated physics in iridium fluorides.
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