Thermodynamic equilibrium conditions of graphene films on SiC.
Phys Rev Lett
; 111(6): 065502, 2013 Aug 09.
Article
em En
| MEDLINE
| ID: mdl-23971583
ABSTRACT
First-principles surface phase diagrams reveal that epitaxial monolayer graphene films on the Si side of 3C-SiC(111) can exist as thermodynamically stable phases in a narrow range of experimentally controllable conditions, defining a path to the highest quality graphene films. Our calculations are based on a van der Waals corrected density functional. The full, experimentally observed (6sqrt[3]×6sqrt[3])-R30° supercells for zero- to trilayer graphene are essential to describe the correct interface geometries and the relative stability of surface phases and possible defects.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Ano de publicação:
2013
Tipo de documento:
Article
País de afiliação:
Alemanha