REAlRh(RE = Sm、Tb、Dy、Er 和 Lu)型等原子化合物的结构、物理和 27Al NMR 光谱特性

Mathis Radzieowski, Elias C. J. Gießelmann, Stefan Engel, Oliver Janka
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摘要

在等原子 REAlRh 化合物系列中,已经合成了 RE = Y、La-Nd、Gd、Ho、Tm 和 Yb 的代表化合物。然而,RE = Sm、Tb、Dy、Er 和 Lu 的成员尚未见报道。现在,我们已经合成了它们,并对其结构、磁性和核磁共振谱进行了表征。所有成员的晶体结构均为正交钛镍硅型,与大多数已知的类似物相似。由于镧系元素的收缩,它们的单胞体积的变化呈现出预期的下降。LuAlRh 显示出保利顺磁行为,而 SmAlRh、TbAlRh、DyAlRh、ErAlRh 和 TmAlRh 则显示出反铁磁基态,内耳温度介于 T N = 45 和 4 K 之间。量子化学计算的结果支持核磁共振光谱研究得出的结论,并提供了这些金属间铝金属化物中电荷分布的信息。
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Structure, physical and 27Al NMR-spectroscopic properties of the equiatomic compounds of the type REAlRh (RE = Sm, Tb, Dy, Er, and Lu)
Within the series of the equiatomic REAlRh compounds, the representatives with RE = Y, La–Nd, Gd, Ho, Tm and Yb have been synthesized. The members with RE = Sm, Tb, Dy, Er and Lu, however, had not yet been reported. They have now been synthesized and structurally as well as magnetically and NMR-spectroscopically characterized. All members crystallize isostructurally in the orthorhombic TiNiSi type, similar to most of the known analogues. The evolution of their unit cell volumes exhibits the expected decrease due to the lanthanide contraction. While LuAlRh shows Pauli-paramagnetic behavior, SmAlRh, TbAlRh, DyAlRh, ErAlRh, and TmAlRh exhibit antiferromagnetic ground states with Néel temperatures between T N = 45 and 4 K. 27Al MAS-NMR investigations have been conducted on YAlRh and LuAlRh. The results of quantum-chemical calculations support the conclusions drawn from the NMR-spectroscopic study and give information on the charge distribution in these intermetallic aluminum metallides.
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