J. Furthmuller et al., MODEL OF THE EPITAXIAL-GROWTH OF SIC-POLYTYPES UNDER SURFACE-STABILIZED CONDITIONS, Journal of electronic materials, 27(7), 1998, pp. 848-852
Molecular beam epitaxial (MBE) experiments demonstrate that it is poss
ible to achieve a controlled layer-by-layer growth of SiC polytypes at
temperatures below 1000 degrees C under surface-stabilized conditions
. It is of substantial importance to stabilize characteristic Si-rich
superstructures by an alternate supply of Si and C, switching periodic
ally between more Si-rich and less Si-rich surface superstructures. Th
e MBE growth of SiC happens in two basic steps: Firstly, Si overlayers
are grown on Sie. Secondly, the Si overlayers are carbonized under su
pply of C, leading to growth of SiC. On the basis of first principles
calculations within the framework of density functional theory in the
local density approximation, we derive an equilibrium phase diagram fo
r various structural models which provide a theoretical framework to r
ationalize some of the experimental findings qualitatively.