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Interatomic electronic decay in endohedral fullerenes.

Vitali Averbukh1, Lorenz S Cederbaum

  • 1Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany.

Physical Review Letters
|February 21, 2006
PubMed
Summary

Ionization of atoms inside endohedral fullerenes triggers ultrafast interatomic decay. This process, driven by electron correlation, may not destroy the fullerene complex.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Materials Science

Background:

  • Endohedral fullerenes encapsulate atoms within fullerene cages.
  • Ionization of encapsulated atoms can initiate complex electronic processes.
  • Interatomic electronic decay is a key phenomenon in such systems.

Purpose of the Study:

  • To investigate the rates and characteristics of interatomic decay in endohedral fullerene complexes.
  • To understand the role of electron correlation between atomic and fullerene electrons.
  • To determine if interatomic decay leads to the destruction of the endohedral complex.

Main Methods:

  • Quantum chemical calculations were employed.
  • Rates of interatomic decay processes were computed.
  • The specific case of an endohedral fullerene was analyzed as an example.

Main Results:

  • Interatomic decay processes were found to be abundant in ionized endohedral fullerenes.
  • The calculated rates for interatomic decay in the specific example were ultrafast.
  • Analysis indicated that interatomic decay does not necessarily result in the complex's destruction.

Conclusions:

  • Interatomic electronic decay is a significant and rapid process in ionized endohedral fullerenes.
  • Electron correlation plays a crucial role in enabling these decay pathways.
  • Endohedral fullerene complexes can potentially survive ultrafast interatomic decay events.

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