Fluorinated monovacancies in graphene: Even-odd effect

Handle URI:
http://hdl.handle.net/10754/562397
Title:
Fluorinated monovacancies in graphene: Even-odd effect
Authors:
Kaloni, Thaneshwor P.; Cheng, Yingchun; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
IOP Publishing
Journal:
EPL (Europhysics Letters)
Issue Date:
1-Nov-2012
DOI:
10.1209/0295-5075/100/37003
Type:
Article
ISSN:
02955075
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T10:03:44Zen
dc.date.available2015-08-03T10:03:44Zen
dc.date.issued2012-11-01en
dc.identifier.issn02955075en
dc.identifier.doi10.1209/0295-5075/100/37003en
dc.identifier.urihttp://hdl.handle.net/10754/562397en
dc.description.abstractThe 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.en
dc.publisherIOP Publishingen
dc.titleFluorinated monovacancies in graphene: Even-odd effecten
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalEPL (Europhysics Letters)en
kaust.authorKaloni, Thaneshwor P.en
kaust.authorCheng, Yingchunen
kaust.authorSchwingenschlögl, Udoen
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