Theoretical study of the stable states of small carbon clusters Cn (n = 2-10)

Abstract

Both even- and odd-numbered neutral carbon clusters Cn (n = 2-10) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n < 6 the linear isomer is the most stable one while for n > 5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n = 2-10) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n = 2-5.

arXiv commentSubmitted to Phys. Rev. B

References in corpus (1)

• Electric Field Effect in Atomically Thin Carbon Films

Cited by in corpus (10)

• Carbon clusters: From ring structures to nanographene
• Stabilized silicene within bilayer graphene: A proposal based on molecular dynamics and density-functional tight-binding calculations
• Melting of graphene clusters
• Crystallization for a Brenner-like potential
• Identification of a potential ultra-low Q value electron capture decay branch in ${}^{75}$Se via a precise Penning trap measurement of the mass of ${}^{75}$As
• Kinetics of Carbon Condensation in Detonation of High Explosives: First-Order Phase Transition Theory Perspective
• Vibrational properties of nanographene
• Finite-temperature stability of hydrocarbons: fullerenes versus flakes
• Multi-plasmon excitations in electron spectra of small systems irradiated by swift charged projectiles
• Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane