铂金属光电子能谱中的寿命效应与卫星峰
Lifetime effects and satellites in the photoelectron spectrum of platinum metal
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中文总结 AI 辅助
研究用多种光谱技术及从头算计算全面探究铂金属电子结构和多体光发射效应，关联光电子卫星峰与损失特征，识别相关特征及自旋轨道分裂，比较光谱与计算结果，建立光谱参考以助解释相关光电子能谱。
中文摘要 AI 辅助
本工作利用反射高能电子能量损失谱（RHEELS）、软X射线光电子能谱（SXPS）和硬X射线光电子能谱（HAXPES），并辅以从头算计算，对金属铂的电子结构和多体光发射效应进行了全面研究。浅芯态和深芯态光谱有助于系统地表征本征线形不对称性和卫星结构。通过将光电子卫星峰与RHEELS损失特征相关联，可确定铂光谱中的带间跃迁、表面和体等离子体激元、等离子体激元泛音以及半芯电离损失。识别并讨论了几个先前未解决的卫星特征和自旋轨道分裂。将实验价带光谱与使用从头算密度泛函理论（DFT）和G0W0方法计算的轨道投影态密度进行比较，展示了相对论效应在再现铂价电子结构中的关键作用。这些结果为金属铂建立了一个统一、内部一致的光谱参考，为解释含铂催化剂、电子材料和相关5d过渡金属系统的光电子能谱提供了一个有力的框架。
英文摘要
This work presents a comprehensive investigation of the electronic structure and many-body photoemission effects in metallic platinum using reflection high-energy electron energy-loss spec- troscopy (RHEELS), soft X-ray photoelectron spectroscopy (SXPS), and hard X-ray photoelectron spectroscopy (HAXPES), supported by ab initio calculations. Shallow and deep core state spectra enable the systematic characterisation of intrinsic line-shape asymmetries and satellite structures. Correlation of photoelectron satellites with RHEELS loss features allows the assignment of inter- band transitions, surface and bulk plasmons, plasmonic overtones, and semi-core ionisation losses across the Pt spectrum. Several previously unresolved satellite features and spin-orbit splittings are identified and discussed. Comparison of experimental valence band spectra with orbital-projected densities of states calculated using ab initio density functional theory (DFT) and G0W0 approaches, with and without spin-orbit coupling, demonstrates the critical role of relativistic effects in reproducing the Pt valence electronic structure. Together, these results establish a unified, internally consistent spectroscopic reference for metallic platinum, providing a robust framework for interpreting photoelectron spectra of Pt-containing catalysts, electronic materials, and related 5d transition metal systems.
