Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon

F. Zirkelbach, J. Lindner, K. Nordlund, B. Stritzker, Materials Science and Engineering: B 159–160 (2008) 149–152.

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Abstract
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 C Si dumbbells on regular Si lattice sites which agglomerate into large clusters. In a second step, when the cluster size reaches a radius of a fewnm, 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.
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Journal Title
Materials Science and Engineering: B
Volume
159-160
Page
149-152
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Zirkelbach F, Lindner J, Nordlund K, Stritzker B. Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon. Materials Science and Engineering: B. 2008;159-160:149-152. doi:10.1016/j.mseb.2008.10.010
Zirkelbach, F., Lindner, J., Nordlund, K., & Stritzker, B. (2008). Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon. Materials Science and Engineering: B, 159160, 149–152. https://doi.org/10.1016/j.mseb.2008.10.010
@article{Zirkelbach_Lindner_Nordlund_Stritzker_2008, title={Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon}, volume={159–160}, DOI={10.1016/j.mseb.2008.10.010}, journal={Materials Science and Engineering: B}, publisher={Elsevier BV}, author={Zirkelbach, F. and Lindner, Jörg and Nordlund, K. and Stritzker, B.}, year={2008}, pages={149–152} }
Zirkelbach, F., Jörg Lindner, K. Nordlund, and B. Stritzker. “Molecular Dynamics Simulation of Defect Formation and Precipitation in Heavily Carbon Doped Silicon.” Materials Science and Engineering: B 159–160 (2008): 149–52. https://doi.org/10.1016/j.mseb.2008.10.010.
F. Zirkelbach, J. Lindner, K. Nordlund, and B. Stritzker, “Molecular dynamics simulation of defect formation and precipitation in heavily carbon doped silicon,” Materials Science and Engineering: B, vol. 159–160, pp. 149–152, 2008.
Zirkelbach, F., et al. “Molecular Dynamics Simulation of Defect Formation and Precipitation in Heavily Carbon Doped Silicon.” Materials Science and Engineering: B, vol. 159–160, Elsevier BV, 2008, pp. 149–52, doi:10.1016/j.mseb.2008.10.010.
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