A cellular automaton (CA) model is proposed that simulates the structural evolution of a nonstoichiometric SiO m (m < 2) layer with a thickness of 3–30 nm, involving the formation of silicon nanoclusters during thermal annealing at temperatures within 900–1200°C. The model does not take into account the crystalline or amorphous structure of the nanoclusters. The three-dimensional CA model implemented on a cubic 0.54-nm mesh grid by the SoftCAM software is synchronous, does not use the Margolus block neighborhood, and is open to the incorporation of ab initio calculations for Si x O y clusters. The state of the CA cell is determined by three variables (x, y, z), which take discrete values 0, 1, 2, …, and 255 (corresponding to the numbers of silicon and oxygen atoms and conditional vacancies in the cell), and the fourth variable δ, which takes values 0, 1, and 2, indicating that the given cell belongs to a silicon nanocluster, SiO x matrix, or their interface. The local transition rules are defined based on the following considerations: (i) each cell is characterized by a scalar “free energy” dependent only on the cell state (analogous to thermodynamic potentials); (ii) this free energy is defined as the sum of three components: internal energy U(x, y), elastic energy G(z), and surface energy E(δ); and (iii) the exchange of matter between the cells is determined by probabilities dependent on the difference of the free energies according to the Fermi–Dirac relation. The model traces the evolution of the total number of clusters, their average size, and the average distance between them. The results of the numerical simulation are consistent with the published experimental data.
Russian Microelectronics – Springer Journals
Published: Nov 21, 2015
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera