First-principles study of electronic structures of graphene on Y2O3
- 16 May 2016
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 55 (6S1) , 06GF07
Abstract
We investigate the structures, stability and electronic properties of graphene adsorbed on Y2O3(111) using first-principles calculations based on density functional theories. When the interface of Y2O3(111) is terminated by an Y-layer, graphene is chemisorbed on Y2O3, resulting in the strong modification of electronic band structures. When the Y2O3(111) surface is terminated with O atoms and extra O atoms, on the other hand, graphene is physisorbed on Y2O3(111). Therefore, an O-rich environment is preferable for the graphene and Y2O3 interface.Keywords
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