Evolution of the potential-energy surface of amorphous silicon

Abstract

The link between the energy surface of bulk systems and their dynamical properties is generally difficult to establish. Using the activation-relaxation technique (ART nouveau), we follow the change in the barrier distribution of a model of amorphous silicon as a function of the degree of 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 distribution, the reverse-barrier height distribution, calculated from the final state, is independent of the 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 a the elementary relaxation mechanism are completely independent. This characterized energy landscape can be used to explain nano-calorimetry measurements.

5 pages, 4 figures

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