Fluorinated monovacancies in graphene: Even-odd effect
PSE Division, KAUST - Thuwal 23955-6900, Kingdom of Saudi Arabia
Received: 7 June 2012
Accepted: 13 October 2012
The electronic and structural properties of fluorinated monovacancies in graphene are studied using density functional theory. Our calculations show that an odd number of F atoms adsorbed on a monovacancy gives rise to a p-type metallic state with a local magnetic moment of 1 μB. In contrast, an even number of F atoms leads to a non-magnetic semiconducting state. We explain the behaviour in terms of local structure properties.
PACS: 73.22.Pr – Electronic structure of graphene
© EPLA, 2012