Abstract The electronic band structure of Ce 2 RuGe was studied by means of X-ray photoelectron spectroscopy and ab initio calculations. The compound was recently reported to bear non-magnetic ions Ce1 and magnetic ions Ce2 located at 2 a and 2 b Wyckoff positions, respectively, in its orthorhombic unit cell. As a result, Ce 2 RuGe exhibits antiferromagnetic ordering below T N = 12 K coexisting with valence fluctuations. The results of our electronic structure investigations corroborated the diverse nature of 4 f electrons in this material and showed that its unique physical behavior is a direct consequence of different strength of f-ligand hybridization at the Ce1 and Ce2 sites.

中文翻译：

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新型价态波动化合物 Ce2RuGe 中的磁基态：电子结构研究

摘要 采用X射线光电子能谱和从头计算方法研究了Ce 2 RuGe的电子能带结构。最近报道该化合物在其正交晶胞中分别在 2 a 和 2 b Wyckoff 位置带有非磁性离子 Ce1 和磁性离子 Ce2。因此，Ce 2 RuGe 表现出低于 TN = 12 K 的反铁磁有序性，并与价态波动共存。我们的电子结构研究结果证实了该材料中 4 f 电子的多样性，并表明其独特的物理行为是 Ce1 和 Ce2 位点处 f 配体杂交强度不同的直接结果。