Sr$_3$Ir$_2$O$_7$F$_2$: Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

The topochemical transformation of single crystals of Sr $_{3}$ Ir $_{2}$ O $_{7}$ into Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ is reported via fluorine insertion. Characterization of the newly formed Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ phase shows a nearly complete oxidation of Ir $^{4 +}$ cations into Ir $^{5 +}$ that in turn drives the system from an antiferromagnetic Mott insulator with a half-filled J $_{e f f} = 1 / 2$ band into a nonmagnetic $J = 0$ band insulator. First principles calculations reveal a remarkably flat insertion energy that locally drives the fluorination process to completion. Band structure calculations support the formation of a band insulator whose charge gap relies on the strong spin-orbit coupling inherent to the Ir metal ions of this compound.

Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

文献摘要

讨论

讲解博客

AI智能校验

Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

文献摘要

讨论

讲解博客

AI智能校验

Sr33​Ir22​O77​F22​: Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

文献摘要

讨论

|讲解博客

|AI智能校验

Sr33​Ir22​O77​F22​: Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

文献摘要

讨论

|讲解博客

|AI智能校验

Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

讲解博客

AI智能校验

Sr $_{3}$ Ir $_{2}$ O $_{7}$ F $_{2}$ : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

讲解博客

AI智能校验