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A Systematic Method for Predictive in-silico Chemical Vapour Deposition

preprint
revised on 11.02.2020, 19:19 and posted on 12.02.2020, 06:36 by Örjan Danielsson, Matts Karlsson, Pitsiri Sukkaew, Henrik Pedersen, Lars Ojamäe
A comprehensive systematic method for chemical vapour deposition modelling consisting of seven well defined steps is presented. The method is general in the sense that it is not adapted to a certain type of chemistry or reactor configuration. The method is demonstrated using silicon carbide (SiC) as model system, with accurate matching to measured data without tuning of the model. We investigate the cause of several experimental observations for which previous research only have had speculative explanations. In contrast to previous assumptions, we can show that SiCl2 does not contribute to SiC deposition. We can confirm the presence of larger molecules at both low and high C/Si ratios, which have been thought to cause so-called step-bunching. We can also show that high concentrations of Si lead to other Si molecules than the ones contributing to growth, which also explains why the C/Si ratio needs to be lower at these conditions to maintain high material quality as well as the observed saturation in deposition rates. Due to its independence of chemical system and reactor configuration, the method paves the way for a general predictive CVD modelling tool.

Funding

This work was supported by the Swedish Foundation for Strategic Research project "SiC - the Material for Energy-Saving Power Electronics" (EM11-0034) and the Knut & Alice Wallenberg Foundation (KAW) project "Isotopic Control for Ultimate Material Properties". L.O. acknowledges financial support from the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO Mat LiU No 2009 00971) and from the Swedish Research Council (VR). Supercomputing resources were provided by the Swedish National Infrastructure for Computing (SNIC) and the Swedish National Supercomputer Centre (NSC).

History

Email Address of Submitting Author

henrik.pedersen@liu.se

Institution

Linkoping University

Country

Sweden

ORCID For Submitting Author

0000-0002-7171-5383

Declaration of Conflict of Interest

No conflicts to report

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