## Abstract The diffusion coefficient is indispensable to chemical engineering design and research. In practical engineering and research, there is still a great lack of available data. Therefore, methods need to be developed to solve this problem. In this paper, a molecular dynamics simulation met
Simulation of self-diffusion on silicon surface using stillinger-weber potential
โ Scribed by K.E. Khor; S. Das Sarma
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 370 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The self-diffusion of tetrahedrally bonded materials on different surfaces, (loo), ( 110) and ( 111) is studied by means of molecular dynamics simulation. We use the Stillinger-Weber three-body potential as the only interaction between atoms. The results are compared with experimental measurements and other simulations studies. They indicate that the Stillinger-Weber potential may have to be modified near the surface. Our results indicate that dimer diffusion in silicon may be comparable to single-adatom diffusion.
๐ SIMILAR VOLUMES
The self-diffusion mechanisms of single adatoms on the Cu(l70) surface have been studied using molecular dynamics simulation and a many-body potential within the second-moment approximation of the tightbinding model. From a detail trajectory analysis we found a variety of diffusion mechanisms, the h