Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon
- The precipitation process of silicon carbide in heavily carbon doped silicon is not yet fully understood. High resolution transmission electron microscopy observations suggest that in a first step carbon atoms form CSi dumbbells on regular Si lattice sites which agglomerate into large clusters. In a second step, when the cluster size reaches a radius of a few nm, the high interfacial energy due to the SiC/Si lattice misfit of almost 20% is overcome and the precipitation occurs. By simulation, details of the precipitation process can be obtained on the atomic level. A recently proposed parametrization of a Tersoff-like bond order potential is used to model the system appropriately. Preliminary results gained by molecular dynamics simulations using this potential are presented.
| Author: | Frank Zirkelbach, Jörg K. N. Lindner, K. Nordlund, Bernd StritzkerGND |
|---|---|
| Frontdoor URL | https://opus.bibliothek.uni-augsburg.de/opus4/112291 |
| ISSN: | 0921-5107OPAC |
| Parent Title (English): | Materials Science and Engineering: B |
| Publisher: | Elsevier BV |
| Place of publication: | Amsterdam |
| Type: | Article |
| Language: | English |
| Year of first Publication: | 2009 |
| Release Date: | 2024/04/05 |
| Tag: | Mechanical Engineering; Mechanics of Materials; Condensed Matter Physics; General Materials Science |
| Volume: | 159-160 |
| First Page: | 149 |
| Last Page: | 152 |
| DOI: | https://doi.org/10.1016/j.mseb.2008.10.010 |
| Institutes: | Mathematisch-Naturwissenschaftlich-Technische Fakultät |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik | |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik IV | |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
