Molecular dynamics based on quantum-mechanical semiempirical and densi
ty functional potentials were applied to study step pattern formation
on diamond (100) surfaces, Growth conditions near different types of m
onoatomic steps were compared and found to be unaffected by the nature
of the steps. Instead, a mechanism based on surface diffusion of chem
isorbed species is proposed to explain experimental observations. The
proposed mechanism indicates that a dimer row serves as an attractor f
or migrating adspecies.