ausblenden:
Schlagwörter:
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Zusammenfassung:
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
(6 sqrt(3)x 6 sqrt(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.
