Hostname: page-component-848d4c4894-v5vhk Total loading time: 0 Render date: 2024-06-20T06:10:17.020Z Has data issue: false hasContentIssue false
  • English
  • Français

Understanding of the Synthesis and Structure of Si Nanocrystals in an Oxide Matrix from First Principles Based Atomistic Modeling

Published online by Cambridge University Press:  01 February 2011

Sangheon Lee ,
Decai Yu  and
Gyeong S. Hwang
Sangheon Lee
Affiliation:
The University of Texas at Austin, Chemical Engineering, 1 University Station C0400, Austin, TX, 78712, United States
Decai Yu
Affiliation:
dyu@che.utexas.edu, The University of Texas at Austin, Chemical Engineering, 1 University Station C0400, Austin, TX, 78712, United States
Gyeong S. Hwang
Affiliation:
gshwang@che.utexas.edu, The University of Texas at Austin, Chemical Engineering, 1 University Station C0400, Austin, TX, 78712, United States
Get access

Abstract

Kinetic Monte Carlo simulations were performed to examine mechanisms underlying the formation of Si nanoparticles in Si-rich SiO2. We have determined two important features of the embedded Si nanoparticle growth: “coalescence-like” and “pseudo Ostwald ripening”. The former is mainly responsible for fast Si particle growth at the early stage of annealing where the particles are close to each other, while the latter becomes important when the density of particles is low such that they are separated by large distances. The pseudo ripening process takes place several orders of magnitude slower than the “coalescence-like” growth. The predominance of “coalescence-like” behavior in the growth of Si nanoparticles results in a big variation in the particle size in terms of the Si:O ratio. Overall the predicted growth behavior based on our Monte Carlo simulations agrees well with experiments.

Keywords

oxidecrystal growthnanostructure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 958: Symposium L – Group IV Semiconductor Nanostructures—2006 , 2006 , 0958-L08-10
Copyright
Copyright © Materials Research Society 2007

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Wilson, W.L., Szajowski, P.F. and Brus, L.E., Science 262, 1242 (1993).10.1126/science.262.5137.1242Google Scholar
2. Kanemitsu, Y., Ogawa, T., Shiraishi, K. and Takeda, K., Phys. Rev. B 48, 4883 (1993).Google Scholar
3. Kimerling, L.C., Negro, L. Dal, Saini, S., Yi, Y., Ahn, D., Akiyama, S., Cannon, D., Liu, J., Sandland, J.G., Sparacin, D., Michel, J., Wada, K. and Watts, M.R. in Silicon photonics (SPRINGER-VERLAG BERLIN, Berlin, 2004) p. 89.10.1007/978-3-540-39913-1_3Google Scholar
4. Ghislotti, G., Nielsen, B., AsokaKumar, P., Lynn, K.G., Gambhir, A., DiMauro, L.F. and Bottani, C.E., J. Appl. Phys. 79, 8660 (1996).10.1063/1.362490Google Scholar
5. Skorupa, W., Yankov, R.A., Tyschenko, I.E., Frob, H., Bohme, T. and Leo, K., Appl. Phys. Lett. 68, 2410 (1996).Google Scholar
6. Shimizu-Iwayama, T., Kurumado, N., Hole, D.E. and Townsend, P.D., J. Appl. Phys. 83, 6018 (1998).Google Scholar
7. Fernandez, B.G., Lopez, M., Garcia, C., Perez-Rodriguez, A., Morante, J.R., Bonafos, C., Carrada, M. and Claverie, A., J. Appl. Phys. 91, 798 (2002).Google Scholar
8. Muller, T., Heinig, K.H. and Moller, W., Appl. Phys. Lett. 81, 3049 (2002).Google Scholar
9. D, D. Yu, Hwang, G.S., Kirichenko, T.A. and Banerjee, S.K., Phys. Rev. B 72, 205204 (2005).Google Scholar
10. Kirichenko, T.A., Yu, D., Banerjee, S.K. and Hwang, G.S., Phys. Rev. B 72, 35345 (2005).Google Scholar
11. Hamann, D.R., Phys. Rev. B 61, 9899 (2000).Google Scholar
12. Mikkelsen, J.C., Appl. Phys. Lett. 45, 1187 (1984).Google Scholar