Computer Simulation of Fullerite C₆₀ Modification by a Swarm of Secondary Electrons Generated by Bombarding Electrons in keV Energy Range

Abstract

Simulating of fullerite C₆₀ polymerization under the electron beam irradiation was performed within the framework of proposed model. The number of arising covalent bonds was assumed to be proportional to the number of excited and ionized C₆₀ molecules. The polarization, exchange, and muffin‐tin size were taken into account in simulating elastic scattering events; inelastic ones were modeled within the frame of dielectric formalism for scattering on valence electrons and as a binary collisions for ionization of deep atom levels. It was found out that small variations in the momentum‐ and frequency‐dependent loss function may considerably affect both the evolution of low energy secondary electrons and the character of the electron induced structure transformation.

Keywords:

• Fullerite films
• electron beam
• polymerization
• simulation

Acknowledgments

The work was supported by INTAS (Grant No 2001‐2136) and by the contract ИН‐13.5/002 of the Russian Agency of Science.