Pre-roughening dynamics on Si(100) stepped surfaces: a study by molecular dynamics
CNR-Istituto LAMEL, Via Gobetti 101, 40129 Bologna, Italy
Corresponding author: a firstname.lastname@example.org
Published online: 13 August 2002
The thermal evolution of steps on Si(100) is well studied and experiment indicates that at temperatures below the roughening transition (i.e. K) the displacements of atoms at the step-edge are the basic factor of this evolution. However the evaluation of the nature and participants of these displacements is beyond experimental observations and a theoretical approach is therefore needed. The problem addressed by this study is the identification of the properties of atomic motions of step-edge atoms and this investigation is performed applying an isothermal Molecular Dynamics simulation method to simple stepped configurations on Si(100). The calculations describe the functional dependence of the motions of step-edge atoms on the step type, size and temperature and on the nature of the interatomic forces. Possible mechanisms of kink formations are suggested.
PACS: 64.60.-i – General studies of phase transitions
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2002