https://doi.org/10.1140/epjb/e2002-00252-4
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 mazzone@lamel.bo.cnr.it
Received:
15
February
2002
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
