اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدOrbital ordering of Ir-t2g states in the double perovskite Sr2CeIrO6
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The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that low-spin-state Ir$^{4+}$ (5$textit{d}^5$, S=$frac{1}{2}$) shows t$_{2g}$ band derived anti-ferro type orbital ordering implying alternating occupations of $textit{d}_{yz}$ and $textit{d}_{xz}$ orbitals at the two symmetrically independent Ir sites. The experimentally determined Jahn-Teller type distorted monoclinic structure is consistent with the proposed orbital ordering picture. Surprisingly, the Ir-5$textit{d}$ orbital magnetic moment was found to be $approx$ 1.3 times larger than the spin magnetic moment. The experimentally observed AFM-insulating states are consistent with the calculations. Both electron-electron correlation and spin-orbit coupling (SOC) are required to drive the experimentally observed AFM-insulating ground state. This single active site double perovskite provides a rare platform with a prototype geometrically frustrated fcc lattice where among the different degrees of freedom (i.e spin, orbital, and lattice), spin-orbit interaction and Coulomb correlation energy scales compete and interact with each other.
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