An A- and B-site ordered quadruple perovskite oxide LaCu3Co2Re2O12 was synthesized at 9 GPa and 1323 K. The compound possesses a Pn-3 space group, where both A and B sites are orderly occupied by different cations with a nearly 100% degree of order. Bond valence sum calculations and x-ray absorption spectroscopy confirm the charge distribution to be LaCu2+3Co2+2Re5.5+2O12. A ferrimagnetic phase transition is found to occur around 150 K due to the Cu2+(↑)-Co2+(↑)-Re5.5+(↓) spin coupling found by x-ray magnetic circular dichroism at Cu-, Co-, and Re-L2,3 edges. The magnetoresistance effects as well as the first-principle calculations indicate the half-metallic nature for LaCu3Co2Re2O12 with a wider energy gap at the up-spin channel and a conducting band at the down-spin channel.

中文翻译：

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四重钙钛矿氧化物 LaCu3Co2Re2O12：一种具有近 100% B 位有序度的亚铁磁性半金属

在 9 GPa 和 1323 K 下合成了 A 位和 B 位有序四重钙钛矿氧化物 LaCu3Co2Re2O12。该化合物具有 Pn-3 空间群，其中 A 和 B 位被不同的阳离子有序占据，接近 100% 的比例命令。键价和计算和 X 射线吸收光谱证实电荷分布为 LaCu2+3Co2+2Re5.5+2O12。由于在 Cu-、Co- 和 Re 处通过 X 射线磁性圆二色性发现的 Cu2+(↑)-Co2+(↑)-Re5.5+(↓) 自旋耦合，发现在 150 K 附近发生亚铁磁相变-L2,3 边。磁阻效应和第一性原理计算表明 LaCu3Co2Re2O12 的半金属性质在上旋通道处具有更宽的能隙，在下旋通道处具有导带。