Publications [#260705] of Volker Blum

Journal Articles

1. Nemec, L; Blum, V; Rinke, P; Scheffler, M, Thermodynamic equilibrium conditions of graphene films on SiC, Physical Review Letters, vol. 111 no. 6 (August, 2013), pp. 065502 [doi]
   (last updated on 2023/06/01)

   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.