氟化氙的电离
Ionization of the Xenon Fluorides
摘要：
惰性气体氙原子可以与氟原子结合，形成几种稳定的化合物。本文用格林函数方法计算了氟化氙（XeFn，n = 2，4，6）的电离光谱，研究了它们的电子结构。我们的重点是在价区域和上的4D核心孔。我们观察到的光谱上的氟配体的数量的敏感依赖性。系统的线位移被发现和解释。从XeF 2到XeF 6，在XeF 5s和F2 s内价区，单粒子电离图的有用性逐渐变差。此外，添加电负性氟配体似乎增强-而不是抑制-一个4d核心孔的俄歇衰变。
英文摘要：
The noble-gas atom xenon can bind fluorine atoms and form several stable compounds. We study the electronic structure of the xenon fluorides (XeFn, n = 2,4,6) by calculating their ionization spectra using a Green's function method, which allows to treat many-body effects at a high level. Our focus is on the valence region and on the Xe 4d core hole. We observe a sensitive dependence of the spectra on the number of fluorine ligands. Systematic line shifts are uncovered and explained. In the Xe 5s and F 2s inner-valence regimes, from XeF2 to XeF6, the usefulness of the one-particle picture of ionization is found to become progressively worse. Moreover, adding the electronegative fluorine ligands seems to enhance--not suppress--the Auger decay of a Xe 4d core hole.
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