Discrete‐variational‐Xα calculations of buckminsterfullerene (C60) and fulleride x‐ray emission spectra
作者： Jun Kawai , Kuniko Maeda , Michio Takami , Yasuji Muramatsu , Takayoshi Hayashi
DOI: 10.1063/1.464042
关键词: Spectral line 、 Fullerene 、 Atomic electron transition 、 Mineralogy 、 Molecular orbital 、 Binding energy 、 Inorganic compound 、 Atomic physics 、 Emission spectrum 、 Buckminsterfullerene 、 Chemistry
摘要: X‐ray emission spectra of buckminsterfullerene (C60) and alkali‐metal fullerides (M3C60, where M denotes alkali‐metal) are calculated with the discrete‐variational (DV)‐Xα method. The x‐ray C60 agree well experimental spectra. This indicates that spectrum M3C60 same method provides a good prediction fulleride which have not been measured yet. proposed to be used as standards electron probe microanalyzer (EPMA) fullerene related compounds for searching existence such in carbon mixtures.
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