SrPt_4 Ge_{12}电子结构的光电子能谱学和能带结构研究
Electronic structure of SrPt_4Ge_{12}: a combined photoelectron spectroscopy and band structure study
摘要：
我们通过X射线光电子能谱学和全势能带结构计算（包括化学键分析）对超导方钴矿衍生物SrPt 4 Ge 12的电子结构进行了综合研究。我们建立了费米能级的状态主要来自Ge 4p电子，Pt 5d壳层有效地充满。我们发现测量和计算的价带谱之间的良好的协议，从而验证了能带结构计算结合光电子能谱学可以提供一个坚实的基础，为建模的化合物MPt4Ge 12（M = Sr，Ba，La，Pr）系列的超导电性。
英文摘要：
We present a combined study of the electronic structure of the superconducting skutterudite derivative SrPt4Ge12 by means of X-ray photoelectron spectroscopy and full potential band structure calculations including an analysis of the chemical bonding. We establish that the states at the Fermi level originate predominantly from the Ge 4p electrons and that the Pt 5d shell is effectively full. We find excellent agreement between the measured and the calculated valence band spectra, thereby validating that band structure calculations in combination with photoelectron spectroscopy can provide a solid basis for the modeling of superconductivity in the compounds MPt4Ge12 (M = Sr, Ba, La, Pr) series.
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