Thermodynamic equilibrium conditions of graphene films on SiC.


Journal Article

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.

Full Text

Duke Authors

Cited Authors

  • Nemec, L; Blum, V; Rinke, P; Scheffler, M

Published Date

  • August 6, 2013

Published In

Volume / Issue

  • 111 / 6

Start / End Page

  • 065502 -

PubMed ID

  • 23971583

Pubmed Central ID

  • 23971583

Electronic International Standard Serial Number (EISSN)

  • 1079-7114

International Standard Serial Number (ISSN)

  • 0031-9007

Digital Object Identifier (DOI)

  • 10.1103/physrevlett.111.065502


  • eng