We report a first-principles Molecular Dynamics investigation of the atomic motion in Silicon in the presence of an artificially created vacancy at high temperature (T ≥ 1200 K). We observe that atomic diffusion events are affected by strong dynamical correlations. At temperatures close to the melting point we discover characteristic premelting phenomena which involve simultaneous jumps of several atoms and introduce a large amount of disorder in the structure.
All Science Journal Classification (ASJC) codes
- Statistical and Nonlinear Physics
- Mathematical Physics
- Physics and Astronomy(all)
- Computer Science Applications
- Computational Theory and Mathematics