English

Hybridization and coherence in subshell differential intercluster plasmonic decay in $Na_{20}@C_{240}$

Atomic and Molecular Clusters 2024-12-20 v2

Abstract

We study the ground state structure and aspects of photoionization dynamics of the Na20@C240Na_{20}@C_{240} endofullerene. The structure shows effects from the electronic coupling between the nested cluster and the fullerene cage. They include the (i) alterations of the overall potential, and thus, the force field, (ii) electron transfer from the cluster to the fullerene forming ionic units, and (iii) hybridization from the admixture of free Na20Na_{20} occupied levels with experimentally known super-atom molecular orbital (SAMO) type empty levels of C240C_{240} accessible in the jellium-DFT model. These modifications influence the photoionization dynamics of the endofullerene. For the high energy ionization of Na20Na_{20}-type levels, a significant overall enhancement of the cross section is noted from additional ionizing force that C240C_{240} offers. More remarkably, the photoexcited plasmons, both the giant plasmon and the higher energy plasmon, in decay in parts through Na20Na_{20} ionization continuum via the resonant intercluster Coulombic decay (ICD) process. These lead to dramatic enhancements in the ionization of individual Na20Na_{20}-type levels resulting enhancements in the cluster's total ionization yield. Based on hybridization, this enhancement incorporates a coherent mixing of the ICD and SAMO-induced Auger-decay amplitude, in which the ICD contribution is dominant.

Keywords

Cite

@article{arxiv.2010.04973,
  title  = {Hybridization and coherence in subshell differential intercluster plasmonic decay in $Na_{20}@C_{240}$},
  author = {Rasheed Shaik and Hari R. Varma and Mohamed El-Amine Madjet and Fulu Zheng and Himadri S. Chakraborty},
  journal= {arXiv preprint arXiv:2010.04973},
  year   = {2024}
}

Comments

12 pages, 7 figures