Electronic structure of CeRhX (X = Sn, In)
Electronic structure of CeRhX (X = Sn, In)
复制标题
CeRhX (X = Sn, In) 的电子结构
DOI：
10.1140/epjb/e2009-00047-1
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发表时间：
2009
期刊：
影响因子：
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通讯作者：
H. Rosner
中科院分区：
文献类型：
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作者：
M. Gamża;A. Ślebarski;H. Rosner
用X射线光电子能谱（XPS）和从头算方法研究了化合物CeRhIn和CeRhSn的电子结构。CeRhSn在低温下表现出非费米液体特性，而CeRhIn表现出费米液体基态。在室温下的XPS数据显示，在这两个系统中的Ce离子的中间价态。Ce芯能级XPS谱非常相似，表明Ce 4f和导带态的强耦合（Δ ≈ 100 meV）。我们解释的价带光谱的从头计算的帮助下，以及使用的参考化合物LaRhIn和LaRhSn的结果。理论能带结构和电荷密度图的比较分析揭示了化学键的变化和Ce 4f与Sn原子取代In引入的其他价态之间的杂化。锡化物中化学键的共价性越强，热膨胀越小。最后，对于CeRhIn，我们发现了一个典型的晶格温度依赖性，而CeRhSn在约120 K时显示出明显的异常，推测与平面Ce-Rh键的变化有关。
Electronic structure of the compounds CeRhIn and CeRhSn have been studied by the X-ray photoemission spectroscopy (XPS) and ab initio band structure calculations. CeRhSn shows the non-Fermi liquid characteristics at low temperatures, while CeRhIn exhibits a Fermi-liquid ground state. At ambient temperature the XPS data reveal an intermediate valence state of Ce ions in both systems. The Ce core-level XPS spectra are very similar and indicate the strong coupling of the Ce 4f and the conduction band states (Δ ≈ 100 meV). The valence band spectra we interpret with the help of ab initio calculations as well as using the results for the reference compounds LaRhIn and LaRhSn. The comparative analysis of the theoretical band structures and charge density plots reveal the changes in chemical bonding and the hybridization between the Ce 4f and the other valence states introduced by the replacement of In by Sn atoms. The more covalent character of the chemical bonding in the stannides is in line with the smaller thermal expansion. Finally, for CeRhIn we found a typical temperature dependence of the crystal lattice, while CeRhSn shows distinct anomaly at about 120 K, presumably related to the change in planar Ce–Rh bonds.
CeRhx (X=Sn, In) 的高分辨率光电子发射研究
DOI：
--
发表时间：
2006
期刊：
Physica B 378-380
影响因子：
--
作者：
山本 潤・西山伊佐;尾中敬;Yoshinori Furukawa;K.Shimada
通讯作者：
K.Shimada