EMPIRICAL-APPROACH FOR THE INTERATOMIC POTENTIAL OF CARBON

Authors
ANDRIBET EP DOMINGUEZVAZQUEZ J PEREZMARTIN AMC ALONSO EV JIMENEZRODRIGUEZ JJ
Citation
Ep. Andribet et al., EMPIRICAL-APPROACH FOR THE INTERATOMIC POTENTIAL OF CARBON, Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 115(1-4), 1996, pp. 501-504
Citations number
27
Categorie Soggetti
Physics, Nuclear","Nuclear Sciences & Tecnology","Instument & Instrumentation
Journal title
Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms → ACNP
ISSN journal
0168583X
Volume
115
Issue
1-4
Year of publication
1996
Pages
501 - 504
Database
ISI
SICI code
0168-583X(1996)115:1-4<501:EFTIPO>2.0.ZU;2-F
Abstract
A new empirical potential for both diamond and graphite structures, in spired by the previously published work by Heggie [J. Phys. Condensed Matter 3 (1991) 3065; Carbon 30 (1992) 71], has been developed. This p otential accounts for the weak attractive interaction between planes a s well as for a direct interpolation between the sp(2) and the sp(3) o rbital configurations. In order to check the validity of the proposed interatomic potential we study by molecular dynamics (MD) carbon struc tures (diamond and graphite) around the equilibrium and finally, the d ynamic behaviour of a vacancy and an interstitial are also studied.