We clarify the origin of the strikingly different spectroscopic properties of the chemically similar compounds ${\mathrm{NaOsO}}_3$ and ${\mathrm{LiOsO}}_3$. Our first-principle, many-body analysis demonstrates that the highly sensitive physics of these two materials is controlled by their proximity to an adjacent Hund’s-Mott insulating phase. Although $5d$ oxides are mildly correlated, we show that the cooperative action of intraorbital repulsion and Hund’s exchange becomes the dominant physical mechanism in these materials if their $t_{2g}$ shell is half filled. Small material specific details hence result in an extremely sharp change of the electronic mobility, explaining the surprisingly different properties of the paramagnetic high-temperature phases of the two compounds.

中文翻译：

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在洪堡-莫特过渡时期即将到来的奥斯曼：NaOsO3和LiOsO3的不同命运

我们阐明了化学相似化合物的惊人光谱特性的起源 ${\mathrm{硫酸钠}}_3$ 和 ${锂}_3$。我们的第一性原理，多体分析表明，这两种材料的高度敏感物理学受其与相邻的Hund's-Mott绝缘相的接近程度的控制。虽然$5d$ 氧化物是轻度相关的，我们表明，如果这些材料的轨道内斥力和Hund交换之间的协同作用成为这些材料的主要物理机制 ${Ť}_{2G}$外壳已装满一半。因此，较小的材料特定细节会导致电子迁移率发生非常急剧的变化，从而解释了这两种化合物的顺磁性高温相出乎意料的不同特性。