Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2012-11-12Online Publication Date
2012-11-12Print Publication Date
2012-11-01Permanent link to this record
http://hdl.handle.net/10754/562397
Metadata
Show full item recordAbstract
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 1μ B. 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. © Copyright EPLA, 2012.Citation
Kaloni, T. P., Cheng, Y. C., & Schwingenschlögl, U. (2012). Fluorinated monovacancies in graphene: Even-odd effect. EPL (Europhysics Letters), 100(3), 37003. doi:10.1209/0295-5075/100/37003Publisher
IOP PublishingJournal
EPL (Europhysics Letters)ae974a485f413a2113503eed53cd6c53
10.1209/0295-5075/100/37003