论文标题

LAVO $ _3 $:真正的Kugel-Khomskii系统

LaVO$_3$: a true Kugel-Khomskii system

论文作者

Zhang, Xue-Jing, Koch, Erik, Pavarini, Eva

论文摘要

我们表明,$ t_ {2g}^2 $ perovskite lavo $ _3 $,在其矫正阶段,是一种宿主托管轨道订购的kugel-khomskii相变的系统的罕见情况,而不是由Coulomb-and-heancy-syper-syper-nehanced Cyromp-hangic-Hanced Cyry-Hanced Cyry-Hanced-Hanced Crystal-Field Field Splatting控制。我们发现,因此,磁过渡接近(甚至在上方)超交换驱动的轨道订购过渡,而通常在温度下的磁性远低于轨道排序。我们的结果支持轨道顺序和G型自旋相关性的实验场景,正上方在单斜骨之间的结构变化上方。为了探索水晶场分裂和填充的效果,我们将YVO $ _3 $和$ t_ {2g}^1 $ titanates进行比较。在所有这些材料中,晶体场都足够大,可以抑制kugel-khomskii相变。

We show that the $t_{2g}^2$ perovskite LaVO$_3$, in its orthorhombic phase, is a rare case of a system hosting an orbital-ordering Kugel-Khomskii phase transition, rather than being controlled by the Coulomb-enhanced crystal-field splitting. We find that, as a consequence of this, the magnetic transition is close to (and even above) the super-exchange driven orbital-ordering transition, whereas typically magnetism arises at much lower temperatures than orbital ordering. Our results support the experimental scenario of orbital-ordering and G-type spin correlations just above the monoclinic-to-orthorhombic structural change. To explore the effects of crystal-field splitting and filling, we compare to YVO$_3$ and $t_{2g}^1$ titanates. In all these materials the crystal-field is sufficiently large to suppress the Kugel-Khomskii phase transition.

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