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Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene
- Source :
- Chemical Physics Letters. 572:48-52
- Publication Year :
- 2013
- Publisher :
- Elsevier BV, 2013.
-
Abstract
- Triangular graphene nanoflakes (GNFs) embedded in fluorinated graphene are systematically investigated using first-principles density functional theory (DFT) calculations. The electronic and magnetic properties of such nanoflakes depend sensitively on the topology (armchair or zigzag) and the length of the edge of nanofakes. All embedded armchair triangular GNFs are semiconducting with size-dependent band gaps. The embedded zigzag triangular GNFs are magnetic with a ferrimagnetic ground state due to topological frustration of the π bonds. The magnetic moment scales linear with the size of the triangular GNF.
- Subjects :
- Materials science
Magnetic moment
Condensed matter physics
Graphene
Band gap
media_common.quotation_subject
General Physics and Astronomy
Frustration
law.invention
Condensed Matter::Materials Science
Zigzag
law
Ferrimagnetism
Physics::Atomic and Molecular Clusters
Density functional theory
Physical and Theoretical Chemistry
Fluorographene
media_common
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 572
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........5ce2e089bd8a491252235981ef58e138