First-principles study of graphene under c-HfO2(111) layers: Electronic structures and transport properties

We investigated the electronic properties, stability, and transport of graphene under c-HfO2(111) layers by performing first-principles calculations with special attention to the chemical bonding between graphene and HfO2 surfaces. When the interface of HfO2/graphene is terminated by an O layer, the...

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Bibliographic Details
Published in:Applied physics letters 2016-08, Vol.109 (8)
Main Authors: Kaneko, Tomoaki, Ohno, Takahisa
Format: Article
Language:English
Subjects:
Applied physics
Chemical bonds
First principles
Graphene
Hafnium oxide
Interface stability
Organic chemistry
Structural stability
Transport properties
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Summary:We investigated the electronic properties, stability, and transport of graphene under c-HfO2(111) layers by performing first-principles calculations with special attention to the chemical bonding between graphene and HfO2 surfaces. When the interface of HfO2/graphene is terminated by an O layer, the linear dispersion of graphene is preserved and the degradation of transport is suppressed. For other interface structures, HfO2 is tightly adsorbed on graphene and the transport is strictly limited. In terms of the stability of the interface structures, an O-terminated interface is preferable, which is achieved under an O-deficient condition.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4961112