The Ba 4d-f giant dipole resonance as a probe of the structure of endohedral Ba@Cn metallofullerenes
Abstract
We calculate the x-ray absorption near edge structure (XANES) modulating the Ba 4d-photoabsorption cross section - the giant dipole resonance - centered around 110 eV photon energy for several models of spherical and non-spherical Ba@Cn metallofullerene cage systems. In the cases considered, the XANES interference patterns provide clear structural "fingerprints", distinguishing between center versus off-center Ba position and spherical versus deformed Cn shell.
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