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Structural phase transition of graphene caused by GaN epitaxy
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/content/aip/journal/apl/100/5/10.1063/1.3680100
2012-01-31
2014-09-15

Abstract

We report first-principles predictions, where the structure of graphene changes drastically with the epitaxialgrowth of GaN (which has been performed experimentally). We identify /graphene-2 × 2 superstructure as the most probable interface atomic structure, where three C-C bonds are replaced with C-N-C bonds preserving the Dirac cones. As the GaNepitaxy proceeds expanding graphene gradually, the tensile strain for graphene is released suddenly by partial breaking of the C-bond network, attributable to the two-dimensionality of graphene. In contrast, graphene retains its honeycomb structure at the AlN-graphene interface. Both of GaN- and AlN-graphene interfaces exhibit spin polarization.

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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Structural phase transition of graphene caused by GaN epitaxy
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/5/10.1063/1.3680100
10.1063/1.3680100
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