Journals →  Materialy Elektronnoi Tekhniki →  2012 →  #1 →  Back

MODELING OF PROCESSES AND MATERIALS
ArticleName Monte Сarlo simulation of silicon nanocluster formation in silicon dioxide
ArticleAuthor A. N. Karpov, E. A. Mikhantiev, S. V. Usenkov, N. L. Shwartz, A. V. Rzhanov
ArticleAuthorData

Institute of Semiconductor Physics, SB RAS

A. N. Karpov, S. V. Usenkov, N. L. Shwartz, A. V. Rzhanov

 

Novosibirsk State Technical University

E. A. Mikhantiev

Abstract

The process of silicon nanocluster formation during annealing of single SiO layers and multilayer SiO2—SiO—SiO2 structures or after Si deposition on silicon dioxide substrate was studied. A kinetic Monte Carlo model of silicon nanocluster formation taking into account silicon monoxide formation and dissociation was suggested. Not only temperature and annealing time but also SiO layer thickness determined the nanocluster sizes when SiO2—SiO—SiO2 structures were annealed. Simulation demonstrated that silicon monoxide forming in the Si—SiO2 system at high temperatures plays an important role in the process of nanocluster formation. Silicon monoxide also accounts for some specific features of 3D silicon islands formation during silicon deposition on silicon dioxide surface.

keywords Silicon nanoclusters, Si/SiO2, modeling, Monte Carlo
References

1. Khriachtchev, L. Optical gain in Si/SiO2 lattice: Experimental evidence with nanosecond pulses / L. Khriachtchev, M. Rasanen, S. Novikov, J. Sinkkonen // Appl. Phys. Lett. − 2001. − V. 79, N 9. − P. 1249−51.
2. Pavesi, L. Optical gain in silicon nanocrystals / L. Pavesi, L. DalNegro, C. Mazzoleni, G. Franzo, F. Priolo // Nature. − 2000. − V. 408. − P. 440—444.
3. Torchynskaa, T. V. Photoluminescence and structure investigations of Si nanocrystals in amorphous silicon matrix / T. V. Torchynskaa, A. Vivas Hernandeza, Ya. Matsumoto, L. Khomenkovac, L. Shcherbina // J. Non−Crystalline Solids. − 2006. − V. 352. − P. 1188—1191.
4. Ng, C. Y. Influence of silicon−nanocrystal distribution in SiO2 matrix on charge injection and charge decay / C. Y. Ng, T. P. Chen, M. S. Tse, V. S. W. Lim, S. Fung, A. A. Tseng // Appl. Phys. Lett. − 2005. − V. 86, N 15. − P. 152110 (1—3).
5. Das Sarma, S. Spin quantum computation in silicon nanostructures / S. Das Sarma, R. de Sousa, X. Hu, B. Koiller // Solid State Commun. − 2005. − V. 133, N 11. − P. 737—746.
6. Kachurin, G. A. Visible and near−infrared luminescence from silicon nanostructures formed by ion implantation and pulse annealing / G. A. Kachurin, I. E. Tysenko, K. S. Zhuravlev, N. A. Pazdnikov, V. A. Volodin, A. K. Gutakovsky, A. F. Leier, W. Skorupa, R. A. Yankov // Nucl. Instrum. and Meth. in Phys. Res. B. − 1997. − V. 122, N 3. − P. 571—574.
7. Beyer, V. Dissociation of Si+ ion implanted and as−grown thin SiO2 layers during annealing in ultra−pure neutral ambient by emanation of SiO / V. Beyer, J. von Borany, K.−H. Heinig // J. Appl. Phys. − 2007. − V. 101, N 5. − P. 053516 (1—6).
8. Tong, S. Study of photoluminescence in nanocrystalline silicon/amorphous silicon multilayers / S. Tong, X.−N. Liu, X.−M. Bao // Appl. Phys. Lett. − 1995. − V. 66, N 4. − P. 469 (1—3).
9. Dovrat, M. Radiative versus nonradiative decay processes in silicon nanocrystals probed by time−resolved photoluminescence spectroscopy / M. Dovrat, Y. Goshen, J. Jedrzejewski, I. Balberg, A. Sa`ar // Phys. Rev. B. − 2004. − V. 69, N 15. − P. 155311 (1—8).
10. Karpov, A. N. Formirovanie SiOx−sloev pri plazmennom raspylenii Si− i SiO2−misheney / A. N. Karpov, D. V. Marin, V. A. Volodin, J. Jedrzejewski, G. A. Kachurin, E. Savir, N. L. Shvarts, Z. Sh. Yanovitskaya, I. Balberg, Y. Goldstein // Fizika i tekhnika poluprovodnikov. − 2008. − T. 42, № 6. − S. 753—758.
11. Comedi, D. X−ray−diffraction study of crystalline Si nanocluster formation in annealed silicon−rich silicon oxides / D. Comedi, O. H. Y. Zalloum, E. A. Irving, J. Wojcik, T. Roschuk, M. J. Flynn, P. Mascher // J. Appl. Phys. − 2006. − T. 99, № 2. − P. 023518 (1—8).
12. Tsoukalas, D. Diffusivity measurements of silicon in silicon dioxide layers using isotopically pure material / D. Tsoukalas, C. Tsamis, P. Normand // Ibid. − 2001. − V. 89, N 12. − P. 7809—7813.
13. Fukatsu, S. Effect of the Si/SiO2 interface on self−diffusion of Si in semiconductor−grade SiO2 / S. Fukatsu, T. Takahashi, K. M. Itoh, M. Uematsu, A. Fujiwara, H. Kageshima, Y. Takahashi, K. Shiraishi, U. Gösele // Appl. Phys. Lett. − 2003. − V. 83, N 19. − P. 3897—3899.
14. Furukawa, K. Observation of Si cluster formation in SiO2 films through annealing process using X−ray photoelectron spectroscopy and infrared techniques / K. Furukawa, Y. Liu, H. Nakashima, D. Gao, K. Uchino, K. Muraoka, H. Tsuzuki // Ibid. − 1998. − V. 72, N 6. − P. 725—727.
15. Vinciguerra, V. Quantum confinement and recombination dynamics in silicon nanocrystals embedded in Si/SiO2 superlattices / V. Vinciguerra, G. Franzo, F. Priolo, F. Iacona, C. Spinella // J. Appl. Phys. − 2000. − V. 87, N 11. − P. 8165 (1—9).
16. Zacharias, M. Size−controlled highly luminescent silicon nanocrystals: A SiO—SiO2 superlattice approach / M. Zacharias, J. Heitmann, R. Scholz, U. Kahler, M. Schmidt, J. Blasing // Appl. Phys. Lett. − 2002. − V. 80, N 4. − P. 661 (1—3).
17. Jambois, O. Influence of the annealing treatments on the luminescence properties of SiO/SiO2 multilayers / O. Jambois, H. Rinnert, X. Devaux, M. Vergnat // J. Appl. Phys. − 2006. − V. 100, N 12. − P. 123504 (1—6).
18. Shklyaev, A. A. Three−dimensional Si islands on Si(001) surfaces / A. A. Shklyaev, M. Ichikawa // Phys. Rev. B. − 2001. − V. 65, N 4. − P. 045307 (1—6).
19. Shklyaev, A. A. Photoluminescence of Si layers grown on oxidized Si surfaces / A. A. Shklyaev, Y. Nakamura, M. Ichikawa // J. Appl. Phys. − 2007. − V. 101, N 3. − P. 033532 (1—5).
20. Guerra, R. Size, oxidation, and strain in small Si/SiO2 nanocrystals / R. Guerra, E. Degoli, S. Ossicini // Phys. Rev. B. − 2009. − V. 80, N 15. − P. 155332 (1—5).
21. Zhang, R. Q. Silicon monoxide clusters: the favorable precursors for forming silicon nanostructures / R. Q. Zhang, M. W. Zhao, S. T. Lee // Phys. Rev. Lett. − 2004. − V. 93, N 9. − P. 095503 (1—4).
22. Kirichenko, T. A. Silicon interstitials at Si/SiO2 interfaces: Density functional calculations / T. A. Kirichenko, D. Yu, S. K. Banerjee, G. S. Hwang // Phys. Rev. B. − 2005. − V. 72, N 3. − P. 035345 (1—6).
23. Boero, M. Free energy molecular dynamics simulations of pulsed laser irradiated SiO2: Si—Si— bond formation in a matrix of SiO2 / M. Boero, A. Oshiyama, P. L. Silvestrelli, K. Murakami // Appl. Phys. Lett. − 2005. − V. 86, N 20. − P. 201910 (1—3).
24. Chu, T. S. Geometric and electronic structures of silicon oxide clusters / T. S. Chu, R. Q. Zhang, H. F. Cheung // J. Phys. Chem. B. − 2001. − V. 105, N 9. − P. 1705—1709.
25. Zverev, A. V. Reshetochnaya Monte—Karlo−model' SiOx−sloev / A. V. Zverev, I. G. Neizvestnyy, N. L. Shvarts, Z. Sh. Yanovitskaya // Rossiyskie nanotekhnologii. − 2008. − T. 3, № 5–6. − S. 175—185.
26. Zimina, A. Electronic structure and chemical environment of silicon nanoclusters embedded in a silicon dioxide matrix / A. Zimina, S. Eisebitt, W. Eberhardt, J. Heitmann, M. Zacharias // Appl. Phys. Lett. − 2006. − V. 88, N 16. − P. 163103 (1—3).
27. Zverev, A. V. Monte—Karlo modelirovanie protsessov rosta nanostruktur s algoritmom planirovaniya sobytiy na shkale vremeni / A. V. Zverev, K. Yu. Zinchenko, N. L. Shvarts, Z. Sh. Yanovitskaya // Rossiyskie nanotekhnologii. − 2009. − T. 4, № 3–4. − S. 85—93.
28. Babich, V. M. Kislorod v monokristallakh kremniya / V. M. Babich, N. I. Bletskan, E. F. Venger // Kiїv: Interpres LTD, 1997. − 240 s.
29. Krasnikov, G. Ya. Matematicheskoe modelirovanie kinetiki vysokotemperaturnogo okisleniya kremniya i struktury pogranichnogo sloya v sisteme Si—SiO2 / G. Ya. Krasnikov, N. A. Zaytsev, I. V. Matyushkin // Fizika i tekhnika poluprovodnikov. − 2003. − T. 37, № 1. − S. 44—49.
30. Bahloul−Hourlier, D. Thermodynamics of the Au—Si—O system: Application to the synthesis and growth of silicon—silicon dioxide nanowires / D. Bahloul−Hourlier, P. Perrot // J. Phase Equilibria and Diffusion. − 2007. − V. 28, N 2. − P. 150—157.
31. Streit, D. C. Thermal and Si−beam assisted desorption of SiO2 from silicon in ultrahigh vacuum / D. C. Streit, F. G. Allen // J. Appl. Phys. − 1987. − V. 61, N 8. − P. 2894—2897.
32. Ferguson, F. T. Vapor pressure of silicon monoxide / F. T. Ferguson, J. A. Nuth III // J. Chem. and Eng. Data. − 2008. − V. 53, N 12. − P. 2824—2832.

Language of full-text russian
Full content Buy
Back