期刊
JOURNAL OF CHEMICAL PHYSICS
卷 119, 期 15, 页码 7763-7771出版社
AMER INST PHYSICS
DOI: 10.1063/1.1609975
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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 one 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. (C) 2003 American Institute of Physics.
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