Coherence of Auger and inter-Coulombic decay processes in the photoionization of Ar@C60 versus Kr@C60

TL;DR

This paper investigates the combined Auger and inter-Coulombic decay processes in the photoionization of noble-gas endofullerenes Ar@C60 and Kr@C60, revealing their dominance and coherence in decay mechanisms.

Contribution

It demonstrates that coherent superpositions of Auger and ICD processes govern decay in noble-gas endofullerenes, providing detailed resonance comparisons between Ar@C60 and Kr@C60.

Findings

Autoionizing resonances differ between Ar@C60 and Kr@C60

Decays are governed by coherent superpositions of Auger and ICD processes

These decay mechanisms are likely common in similar nanomolecules

Abstract

For the asymmetric spherical dimer of an endohedrally confined atom and a host fullerene, an innershell vacancy of either system can decay through the continuum of an outer electron hybridized between the systems. Such decays, viewed as coherent superpositions of the single-center Auger and two-center inter-Coulombic (ICD) amplitudes, are found to govern leading decay mechanisms in noble-gas endofullerenes, and are likely omnipresent in this class of nanomolecules. A comparison between resulting autoionizing resonances calculated in the photoionization of Ar@C60 and Kr@C60 exhibits details of the underlying processes.