Evolution of the potential-energy surface of amorphous silicon.
The link between the energy surface of bulk systems and their dynamical properties is generally difficult to establish. Using the activation-relaxation technique, we follow the change in the barrier distribution of a model of amorphous silicon as a function of the degree of global relaxation. We find that while the barrier-height distribution, calculated from the initial minimum, is a unique function that depends only on the level of relaxation, the reverse-barrier height distribution, calculated from the final state, is independent of global relaxation, following a different function. Moreover, the resulting gained or released energy distribution is a simple convolution of these two distributions indicating that the activation and relaxation parts of the elementary relaxation mechanism are completely independent. This characterized energy landscape can be used to explain nanocalorimetry measurements.
Kallel
Houssem
H
Département de Physique and Regroupement Québécois sur les Matériaux de Pointe (RQMP), Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montr éal, Québec, Canada H3C 3J7. houssem.kallel@umontreal.ca
Mousseau
Normand
N
Schiettekatte
François
F