First prediction of inter-Coulombic decay of C₆₀inner vacancies through the continuum of confined atoms

Abstract

Considering the photoionization of Ar@C 60 and Kr@C 60 endofullerenes, the decay of C 60 innershell excitations through the outershell continuum of the confined atom via the inter-Coulombic decay (ICD) pathway is detailed. Excitations to atom-C 60 hybrid states demonstrate coherence between ICD and electron-transfer mediated decay (ETMD). This should be the dominant above-threshold decay process for a variety of confined systems, and the strength of these resonances is such that they should be amenable for study by photoelectron spectroscopy.PACS numbers: 33.80.Eh, 36.40.Cg First prediction of C 60 -to-confined-atom backward RICD

Interparticle Coulombic Decay Dynamics along Single- and Double-Ionization Pathways

“…3 Over the years ICD turned out to be a very general process, hence it appears in very different fields 4 and cutting edge examples are photo damage of biological tissue, 5,6 relaxation of hollow atoms, 7 vibrational energy transfer, 8 and effectiveness in fullerenes. 9,10 The concept of ICD of converting optical into electric energy together with its anticipated relevance to nanomaterials makes it promising for optoelectronic devices. And indeed it has been predicted for pairs of non-tunneling coupled semiconductor quantum films 11 as well as quantum dots.…”

Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C60

“…The first ab initio calculations of participant ICD induced resonances in the photoionization of C 60 levels induced by Ar inner 3s [22] and Kr inner 4s [23] vacancy decays, the atom-to-fullerene ICD, were performed by our group. Later we also studied ICD resonances in the reverse process of fullerene-to-atom decay [24]. In addition, a remarkable coherence between the Auger and ICD amplitudes to produce a novel class of resonances in the photoionization of atom-fullerene hybridized states was also predicted [22,23].…”

Electronic structure and dynamics of confined atoms

“…These pronounced resonance structures are remarkably stronger than both regular ICD and Auger resonances and can be experimentally detected, thus providing novel ways for accessing ICD activities. A few other investigations discussing different types of ICD that can occur in endohedral systems were also reported subsequently [135,136].…”