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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Simulation of the paramagnetic susceptibility in rare earth oxychlorides
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Simulation of the paramagnetic susceptibility in rare earth oxychlorides

机译：稀土氯氧化物中顺磁化率的模拟

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摘要

The average magnetic susceptibilities ofpolycrystalline rare earth oxychlorides (REOCl; RE valence Ce,Pr, Nd, Sm, Tb, Dy and Ho) were measured between 2 and 300K. The susceptibility of most REOCl samples follows theparamagnetic Curie-Weiss behaviour down to low temperatures(<20 K). However, TbOCl, SmOCl, and DyOCl show additionalantiferromagnetic ordering at 4, 8, and 11 K, respectively. Theexperimental paramagnetic susceptibilities were simulated withthe aid of the van Vleck formalism based on the wave functionsand energy level values obtained from a previousphenomenological simulations of spectroscopic data. Thedeviation of the magnetic susceptibilities of several REOCl fromthe Curie-Weiss behaviour at low temperatures can be explainedby the gradual population of the crystal field (c.f.) componentsof the ground ~(2S+1)L_J level. At high temperatures thedifference between the calculated and experimental data is dueto the modification of the c.f. effect as a result of the latticeexpansion. The strong preferred orientation of the REOCcrystallites may affect the experimental data because of thestrong anisotropy of the paramagnetic susceptibility.
机译：测量了多晶稀土氯氧化物（REOCl; RE价Ce，Pr，Nd，Sm，Tb，Dy和Ho）的平均磁化率。大多数REOCl样品的磁化率都遵循顺磁性居里-魏斯行为，直到低温（<20 K）。但是，TbOCl，SmOCl和DyOCl分别在4、8和11 K处显示出额外的反磁性顺序。在范弗莱克形式主义的帮助下，基于波函数和能级值，从先前的光谱数据现象学模拟中获得了模拟顺磁磁化率的实验结果。几个REOCl在低温下从居里-魏斯行为的磁化率偏差可以通过地面〜（2S + 1）L_J能级的晶体场（c.f.）组分的逐渐填充来解释。在高温下，计算数据与实验数据之间的差异是由于c.f.晶格扩展的结果。由于顺磁磁化率的各向异性很强，REOC晶体的强首选取向可能会影响实验数据。

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