Article

Article title MODELING THE STRUCTURE OF THE SILICON-CARBON COMPOUNDS DOPED THIN FILMS
Authors M. N. Grigoryev, N. K. Plugotarenko, T. A. Bednaya
Section SECTION I. ELECTRONICS AND NANOTECHNOLOGY
Month, Year 02, 2018 @en
Index UDC 51–74
DOI 10.23683/2311-3103-2018-2-94-104
Abstract The simulation of the growth process of doped silicon-carbon films was described herein. Existing models of the structure of thin films of silicon-carbon compounds are considered. Modeling was based on a fractal clusters model of silicon-carbon compounds. Monte Carlo method, the algorithm Wang-Landau model, the diffusion-limited Witten-Sander model, the "cluster-cluster" aggregation model, the Hoshen-Kopelman method for determining the percolation cluster characteristic have been used for modeling the reasech structures. The Monte Carlo method was used to implement a random walk process describing the structure of the obtained fractals of silicon-carbon compounds. pH of the medium was considered during the modeling. Modeling of the structure was carried out in the MatLab software environment. Сonvenient interface for input the necessary data and display the resulting structure of doped silicon-carbon films was created with using the standard MatLab tools. Structures with different substrate dimensions, a different number of particles in the initial matrix, and a different number of particles of the doping component was obtained with the help of the created program in MatLab. Moment of the percolation transition and the percolation threshold was determined by algorithm of Hoshen-Kopelman. The dependence of the structure of fractal clusters and the dependence of the onset of percolation on the pH of the medium are established. It is found that for the same number of particles, the cluster size is larger under ideal conditions than in fractal structures obtained by modeling with the pH factor in mind. It is determined that the concentration of the alloying component of 0.2 mol% is sufficient to form a percolation cluster. The data obtained with the help of modeling can be used for processes of doping of silicon-carbon films.

Download PDF

Keywords Silicon - carbon films; the Monte Carlo method; nanocomposites; fractal clusters.
References 1. Chaplygin Yu.A. Nanotekhnologii v ehlektronike [Nanotechnology in electronics]. Moscow: Tekhnosfera, 2004, 448 p.
2. Malinkovich M.D. Struktura poverhnosti nanokompozitov na osnove kremniy–uglerodnoj matricy, vyyavlennaya metodami skaniruyushchey zondovoy mikroskopii [Surface structure of nanocomposites based on silicon-carbon matrix revealed by scanning probe microscopy], Materialy ehlektronnoy tekhniki [Materials of electronic technology], 2010, No. 1, pp. 41-45.
3. Dorfman V.F. Diamond-like nanocomposites (DLN), Thin Solid Films, 1992, Vol. 212,
pp. 267-273.
4. Ibrahim F., Wilson J.I.B., John P., Fitzgerald A.G., Cook A. Structural analysis of amorphous hydrogenated silicon-carbon thin films from silane/propane mixtures, Journal of Non-Crystalline Solids, 1994, Vol. 175, No. 2-3, pp. 195-203.
5. Muzafarov A.M, Gorbacevich O.B., Rebrov E.A. i dr. Kremniyorganicheskie dendrimery. Ob"emnorastushchie poliallilkarbosilany [Organosilicon dendrimers. Voluminous polyallylcarbosilanes], Vysokomolekulyarnye soedineniya [High molecular weight compounds], 1993, Vol. 35, No. 11, pp. 1867-1872.
6. Shikunov S.L., Kurlov V.N. Poluchenie kompozicionnykh materialov na osnove karbida kremniya silicirovaniem uglerodnykh matric [Obtaining composite materials based on silicon carbide by carbon matrix silencing], Zhurnal tekhnicheskoy fiziki [Journal of technical physics], 2017, Vol. 87, No. 12, pp. 1871-1878.
7. Shishov M.A. Samoorganizuyushchiesya sloi polianilina i ikh primenenie v ehlektronike [Self-organizing layers of polyaniline and their application in electronics], Molodoy uchenyy [Young scientist], 2012, No. 11, pp. 4-13.
8. Bakhmatskaya A.I, Plugotarenko N.K. Issledovanie vliyaniya tekhnologicheskikh parametrov na rost fraktal'nykh struktur nanokompozitnykh materialov metodami matematicheskogo modelirovaniya [Investigation of the influence of technological parameters on the growth of fractal structures of nanocomposite materials by methods of mathematical modeling], Izvestiya YuFU. Tekhnicheskie nauki [Izvestiya SFU. Technical science], 2015, No. 8 (169), pp. 175-184.
9. Bakhmatskaya A.I, Plugotarenko N.K Modelirovanie rosta fraktal'nykh struktur nanokompozitnykh materialov dlya sensorov gazov [Modeling the growth of fractal structures of nanocomposite materials for gas sensors], Izvestiya YuFU. Tekhnicheskie nauki [Izvestiya SFU. Technical science], 2014, No. 9 (158), pp. 118-124.
10. Witten T.A., Sander L.M. Diffusion-limited aggregation, a kinetic critical phenomenon, Physical Review Letters, 1981, Vol. 47 (19), pp. 1400-1403.
11. Miyazima S., Stanley H.E., Hasegawa Y., Bunde A.A. Generalized Diffusion-Limited Aggregation where Aggregate Sites Have a Finite Radical Time, Journal of the Physical Society of Japan, 1988, Vol. 57, No. 10, pp. 3376-3380.
12. Moruzzi R.B., de Oliveira A.L., da Conceição F.T., Gregory J., Campos L.C. Fractal dimension of large aggregates under different flocculation conditions, Science of the Total Environment, 2017, Vol. 609, pp. 807-814.
13. Song Y., Zheng, Q. Concepts and conflicts in nanoparticles reinforcement to polymers beyond hydrodynamics, Progress in Materials Science, 2016, Vol. 84, pp. 1-58.
14. Shilov I.Y. Molecular dynamics simulation of dielectric constant and cluster structure of liquid methanol: The role of cluster-cluster dipole correlations, Molecular Physics, 2015, Vol. 113, No. 6, pp. 570-576.
15. Lyubartsev, A.P., Martsinovski A.A., Shevkunov S.V., Vorontsov-Velyaminov P.N. New approach to Monte Carlo calculation of the free energy: Method of expanded ensembles,
J. Chem. Phys., 1992, Vol. 96, pp. 1776-1783.
16. Shefer D., Kefer K. Struktura sluchaynykh silikatov: polimery, kolloidy i poristye tverdye tela [Structure of random silicates: polymers, colloids and porous solids], Sb. Fraktaly v fizike [Fractals in physics]. Moscow: Mir, 2008, pp. 62-71.
17. Deng Y., Blöte H.W.J. Monte Carlo study of the site-percolation model in two and three dimensions, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2005, Vol. 72, No. 1, N.A. 016126.
18. Tiggemann D. Simulation of percolation on massively-parallel computers, International Journal of Modern Physics C, 2001, Vol. 12, No. 6, pp. 871-878.
19. Pozdeev E.V, Voronova L.I. Modelirovanie effekta perkolyatsii metodom mnogokratnoy markirovki klasterov [Modeling of the percolation effect by the method of multiple marking of clusters], Mezhdunarodnyy zhurnal: Programmnye produkty i sistemy [International Journal: Software products and systems], 2011, No. 4, pp. 75-79.
20. Shojaee S.A., Wang Y.Q., Mehner A., Lucca D.A. Microstructural evolution of ion-irradiated sol–gel-derived thin films, Journal of Materials Science, 2017, Vol. 52, No. 20, pp. 12109-12120.

Comments are closed.