We have calculated the surface free energies of the chemical vapor dep
osited diamond crystals during the preparation process, using the mode
l that a fraction of carbon dangling bonds on the growth surface are s
aturated by hydrogen. The results show that the surface free energies
of the three most energetically favored crystal planes, i.e. (100), (1
10) and (111), can be used to interpret the changes of predominant fac
ets in the surface morphology hom {100} to {111} with increasing subst
rate temperature. In chemical vapor deposition conditions, it is found
that the growth surfaces of diamond are more stable than that of grap
hite.