title: Thermodynamic equilibrium conditions of graphene films on SiC.
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.
authors: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
authors: Lydia
authors: L
authors: Nemec
authors: Volker
authors: V
authors: Blum
authors: Patrick
authors: P
authors: Rinke
authors: Matthias
authors: M
authors: Scheffler