Electronic structure of heavy fermion caged-compound Ce3Pd20X6 (X = Si, Ge) studied by photoelectron spectroscopy
Electronic structure of heavy fermion caged-compound Ce3Pd20X6 (X = Si, Ge) studied by photoelectron spectroscopy
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光电子能谱研究重费米子笼状化合物Ce3Pd20X6 (X = Si, Ge)的电子结构
DOI：
10.1103/physrevb.91.115139
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发表时间：
2015
影响因子：
3.7
通讯作者：
and Hideaki Kitazawa
中科院分区：
文献类型：
--
作者：
Hitoshi Yamaoka;Eike F. Schwier;Masashi Arita;Kenya Shimada;Naohito Tsujii;Ignace Jarrige;Jian Jiang;Hirokazu Hayashi;Hideaki Iwasawa;Hirofumi Namatame;Masaki Taniguchi;and Hideaki Kitazawa
的电子结构进行了研究，使用详细的密度泛函理论（DFT）计算和高分辨率光电子能谱（PES）测量。电子结构的轨道分解结果表明，在（8c）位被16个Pd原子包围的Ce原子具有磁性.另一方面，位于（4a）位的Ce原子被12个Pd和6个原子包围，更局域化和顺磁性。共振PES测量清楚地表明了这些化合物的价带中存在C_6能级。Ce的光谱权重比Ce的强，表明Ce电子的局域性质。在费米能级附近，的Ceflight比的Ceflight强，说明前者的杂化作用较强。
The electronic structure ofhas been studied using detailed density functional theory (DFT) calculations and high-resolution photoelectron spectroscopy (PES) measurements. The orbital decomposition of the electronic structure by DFT calculations indicates that Ce atoms at the (8c) site surrounded by 16 Pd atoms have a tendency to be magnetic. Ce atoms at the (4a) site surrounded by 12 Pd and 6atoms, on the other hand, are more localized and paramagnetic. Theresonance PES measurements clearly indicate the Cecontribution in the valence band in these compounds. The spectral weight of Ceis stronger than that of Ce, indicating the localized nature of Ceelectrons. Near the Fermi level, the Ceweight ofis stronger than that of, suggesting strongerhybridization in the former.