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Stenberg, P., Danielsson, Ö., Erdtman, E., Sukkaew, P., Ojamäe, L., Janzén, E. & Pedersen, H. (2017). Matching precursor kinetics to afford a more robust CVD chemistry: a case study of the C chemistry for silicon carbide using SiF4 as Si precursor. Journal of Materials Chemistry C, 5, 5818-5823
Open this publication in new window or tab >>Matching precursor kinetics to afford a more robust CVD chemistry: a case study of the C chemistry for silicon carbide using SiF4 as Si precursor
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2017 (English)In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 5, p. 5818-5823Article in journal (Refereed) Published
Abstract [en]

Chemical Vapor Deposition (CVD) is one of the technology platforms forming the backbone of the semiconductor industry and is vital in the production of electronic devices. To upscale a CVD process from the lab to the fab, large area uniformity and high run-to-run reproducibility are needed. We show by a combination of experiments and gas phase kinetics modeling that the combinations of Si and C precursors with the most well-matched gas phase chemistry kinetics gives the largest area of of homoepitaxial growth of SiC. Comparing CH4, C2H4 and C3H8 as carbon precursors to the SiF4 silicon precursor, CH4 with the slowest kinetics renders the most robust CVD chemistry with large area epitaxial growth and low temperature sensitivity. We further show by quantum chemical modeling how the surface chemistry is impeded by the presence of F in the system which limits the amount of available surface sites for the C to adsorb.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
National Category
Chemical Sciences
Identifiers
urn:nbn:se:liu:diva-137446 (URN)10.1039/c7tc00138j (DOI)000403571200024 ()
Note

Funding agencies: Knut & Alice Wallenberg Foundation (KAW) project Isotopic Control for Ultimate Material Properties; Swedish Foundation for Strategic Research project SiC - the Material for Energy-Saving Power Electronics [EM11-0034]; Swedish Government Strategic Research

Available from: 2017-05-16 Created: 2017-05-16 Last updated: 2018-10-08Bibliographically approved
Sukkaew, P., Ojamäe, L., Kordina, O., Janzén, E. & Danielsson, Ö. (2016). Thermochemical Properties of Halides and Halohydrides of Silicon and Carbon. ECS Journal of Solid State Science and Technology, 5(2), P27-P35
Open this publication in new window or tab >>Thermochemical Properties of Halides and Halohydrides of Silicon and Carbon
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2016 (English)In: ECS Journal of Solid State Science and Technology, ISSN 2162-8769, E-ISSN 2162-8777, Vol. 5, no 2, p. P27-P35Article in journal (Refereed) Published
Abstract [en]

Atomization energies, enthalpies of formation, entropies as well as heat capacities of the SiHnXm and CHnXm systems, with X being F, Cl and Br, have been studied using quantum chemical calculations. The Gaussian-4 theory (G4) and Weizman-1 theory as modified by Barnes et al. 2009 (W1RO) have been applied in the calculations of the electronic, zero point and thermal energies. The effects of low-lying electronically excited states due to spin orbit coupling were included for all atoms and diatomic species by mean of the electronic partition functions derived from the experimental or computational energy splittings. The atomization energies, enthalpies of formation, entropies and heat capacities derived from both methods were observed to be reliable. The thermochemical properties in the temperature range of 298-2500 K are provided in the form of 7-coefficient NASA polynomials. (C) The Author(s) 2015. Published by ECS. All rights reserved.

Place, publisher, year, edition, pages
ELECTROCHEMICAL SOC INC, 2016
National Category
Chemical Sciences
Identifiers
urn:nbn:se:liu:diva-124117 (URN)10.1149/2.0081602jss (DOI)000365748800023 ()
Note

Funding Agencies|Swedish Foundation for Strategic Research

Available from: 2016-01-22 Created: 2016-01-19 Last updated: 2017-11-30
Yazdanfar, M., Pedersen, H., Sukkaew, P., Ivanov, I. G., Danielsson, Ö., Kordina, O. & Janzén, E. (2014). On the use of methane as a carbon precursor in Chemical Vapor Deposition of silicon carbide. Journal of Crystal Growth, 390, 24-29
Open this publication in new window or tab >>On the use of methane as a carbon precursor in Chemical Vapor Deposition of silicon carbide
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2014 (English)In: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 390, p. 24-29Article in journal (Refereed) Published
Abstract [en]

It is generally considered that methane is not a suitable carbon precursor for growth of silicon carbide (SiC) epitaxial layers by Chemical Vapor Deposition (CVD) since its use renders epitaxial layers with very high surface roughness. In this work we demonstrate that in fact SiC epitaxial layers with high-quality morphology can be grown using methane. It is shown that a key factor in obtaining high-quality material is tuning the C/Si ratio of the process gas mixture to a region where the growth is limited neither by carbon nor by silicon supplies. From the growth characteristics presented here, we argue that the reactivity of methane with the SiC surface is much higher than generally assumed in SiC CVD modeling today.

Place, publisher, year, edition, pages
Elsevier, 2014
Keywords
Chloride-based; Al CVD; BL Methane; Silicon carbide; SiC
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-107126 (URN)10.1016/j.jcrysgro.2013.12.033 (DOI)000335770000005 ()
Available from: 2014-06-05 Created: 2014-06-05 Last updated: 2017-12-05Bibliographically approved
Sukkaew, P., Ojamäe, L., Danielsson, Ö., Kordina, O. & Janzén, E. (2014). Revisiting the Thermochemical Database of Si-C-H System Related to SiC CVD Modeling. In: SILICON CARBIDE AND RELATED MATERIALS 2013, PTS 1 AND 2: . Paper presented at SILICON CARBIDE AND RELATED MATERIALS 2013 (pp. 175-178). Trans Tech Publications, 778-780
Open this publication in new window or tab >>Revisiting the Thermochemical Database of Si-C-H System Related to SiC CVD Modeling
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2014 (English)In: SILICON CARBIDE AND RELATED MATERIALS 2013, PTS 1 AND 2, Trans Tech Publications , 2014, Vol. 778-780, p. 175-178Conference paper, Published paper (Refereed)
Abstract [en]

Chemical vapor deposition of silicon carbide (SiC-CVD) is a complex process involving a Si-C-H system wherein a large number of reaction steps occur. To simulate such a system requires knowledge of thermochemical and transport properties of all the species involved in the process. The accuracy of this information consequently becomes a crucial factor toward the correctness of the outcome prediction. In this work, the thermochemical data for several important growth species for SiC CVD using the SiH4/CxHy/H-2 system has been calculated. For the most part an excellent agreement is seen with previously reported data, however for the organosilicons a larger deviation is detected and in particular for the CH3SiH2SiH species which shows a stark deviation from the CHEMKIN database. Impacts of the improved database on SiC CVD modeling are presented in computational fluid dynamics calculations, manifesting the significance of an accurate database.

Place, publisher, year, edition, pages
Trans Tech Publications, 2014
Series
Materials Science Forum, ISSN 1662-9752 ; 778-780
Keywords
Thermochemical data; CVD modeling; organosilicon
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-108192 (URN)10.4028/www.scientific.net/MSF.778-780.175 (DOI)000336634100041 ()
Conference
SILICON CARBIDE AND RELATED MATERIALS 2013
Available from: 2014-06-26 Created: 2014-06-26 Last updated: 2017-02-10
Danielsson, Ö., Sukkaew, P., Ojamäe, L., Kordina, O. & Janzén, E. (2013). Shortcomings of CVD modeling of SiC today. Theoretical Chemistry accounts, 132(11), 1398
Open this publication in new window or tab >>Shortcomings of CVD modeling of SiC today
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2013 (English)In: Theoretical Chemistry accounts, ISSN 1432-881X, E-ISSN 1432-2234, Vol. 132, no 11, p. 1398-Article in journal (Refereed) Published
Abstract [en]

The active, epitaxial layers of silicon carbide (SiC) devices are grown by chemical vapor deposition (CVD), at temperatures above 1,600 °C, using silane and light hydrocarbons as precursors, diluted in hydrogen. A better understanding of the epitaxial growth process of SiC by CVD is crucial to improve CVD tools and optimize growth conditions. Through computational fluid dynamic (CFD) simulations, the process may be studied in great detail, giving insight to both flow characteristics, temperature gradients and distributions, and gas mixture composition and species concentrations throughout the whole CVD reactor. In this paper, some of the important parts where improvements are very much needed for accurate CFD simulations of the SiC CVD process to be accomplished are pointed out. First, the thermochemical properties of 30 species that are thought to be part of the gas-phase chemistry in the SiC CVD process are calculated by means of quantum-chemical computations based on ab initio theory and density functional theory. It is shown that completely different results are obtained in the CFD simulations, depending on which data are used for some molecules, and that this may lead to erroneous conclusions of the importance of certain species. Second, three different models for the gas-phase chemistry are compared, using three different hydrocarbon precursors. It is shown that the predicted gas-phase composition varies largely, depending on which model is used. Third, the surface reactions leading to the actual deposition are discussed. We suggest that hydrocarbon molecules in fact have a much higher surface reactivity with the SiC surface than previously accepted values.

Place, publisher, year, edition, pages
Springer Berlin/Heidelberg, 2013
Keywords
Silicon carbide, Chemical vapor deposition, Computational fluid dynamics, Thermochemical data, Gas-phase reactions, Surface reactions
National Category
Physical Chemistry Materials Chemistry
Identifiers
urn:nbn:se:liu:diva-103136 (URN)10.1007/s00214-013-1398-9 (DOI)000325107800001 ()
Funder
Swedish Foundation for Strategic Research , SM11-0051Swedish Foundation for Strategic Research , EM11-0034
Available from: 2014-01-13 Created: 2014-01-13 Last updated: 2018-09-14
Danielsson, Ö., Sukkaew, P., Yazdanfar, M., Kordina, O. & Janzén, E. (2013). Simulation of Gas-Phase Chemistry for Selected Carbon Precursors in Epitaxial Growth of SiC. Paper presented at 9th European Conference on Silicon Carbide and Related Materials (ECSCRM 2012). Materials Science Forum, 740-742, 213-216
Open this publication in new window or tab >>Simulation of Gas-Phase Chemistry for Selected Carbon Precursors in Epitaxial Growth of SiC
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2013 (English)In: Materials Science Forum, ISSN 0255-5476, E-ISSN 1662-9752, Vol. 740-742, p. 213-216Article in journal (Refereed) Published
Abstract [en]

Numerical simulations are one way to obtain a better and more detailed understanding of the chemical vapor deposition process of silicon carbide. Although several attempts have been made in this area during the past ten years, there is still no general model valid for any range of process parameters and choice of precursors, that can be used to control the growth process, and to optimize growth equipment design. In this paper a first step towards such a model is taken. Here, mainly the hydrocarbon chemistry is studied by a detailed gas-phase reaction model, and comparison is made between C3H8 and CH4 as carbon precursor. The results indicate that experimental differences, which previous models have been unable to predict, may be explained by the new model.

Place, publisher, year, edition, pages
Trans Tech Publications, 2013
Keywords
Epitaxial growth; Chemical Vapor Deposition; Modeling; Simulation; Gas-phase chemistry; Hydrocarbons
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-96506 (URN)10.4028/www.scientific.net/MSF.740-742.213 (DOI)000319785500051 ()
Conference
9th European Conference on Silicon Carbide and Related Materials (ECSCRM 2012)
Available from: 2013-08-23 Created: 2013-08-20 Last updated: 2017-12-06
Petrone, L., Di Fino, A., Aldred, N., Sukkaew, P., Ederth, T., Clare, A. S. & Liedberg, B. (2011). Effects of surface charge and Gibbs surface energy on the settlement behaviour of barnacle cyprids (Balanus amphitrite). Biofouling (Print), 27(9), 1043-1055
Open this publication in new window or tab >>Effects of surface charge and Gibbs surface energy on the settlement behaviour of barnacle cyprids (Balanus amphitrite)
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2011 (English)In: Biofouling (Print), ISSN 0892-7014, E-ISSN 1029-2454, Vol. 27, no 9, p. 1043-1055Article in journal (Refereed) Published
Abstract [en]

Gibbs surface energy has long been considered to be an important parameter in the design of fouling-resistant surfaces for marine applications. Rigorous testing of the hypothesis that settlement is related to Gibbs surface energy however has never been accomplished, due mainly to practical limitations imposed by the necessary combination of surface engineering and biological evaluation methods. In this article, the effects of surface charge and Gibbs surface energy on the settlement of cyprids of an important fouling barnacle, Balanus amphitrite, were evaluated. Settlement assays were conducted on a range of self-assembled monolayers (SAMs) (CH(3)-, OH-, COOH-, N(CH(3))(3)(+)-, NH(2)-terminated), presented in gold-coated polystyrene well plates, varying in terms of their surface charge and Gibbs surface energy. Contrary to contemporary theory, settlement was not increased by high-energy surfaces, rather the opposite was found to be the case with cyprids settling in greater numbers on a low-energy CH(3)- SAM compared to a high-energy OH- SAM. Settlement was also greater on negatively-charged SAMs, compared to neutral and positively-charged SAMs. These findings are discussed in the context of data drawn from surfaces that varied in multiple characteristics simultaneously, as have been used previously for such experiments. The finding that surface charge, rather than total surface energy, may be responsible for surface selection by cyprids, will have significant implications for the design of future fouling-resistant materials.

Place, publisher, year, edition, pages
Taylor and Francis: STM, Behavioural Science and Public Health Titles / Taylor and Francis, 2011
Keywords
barnacle cyprid, self-assembled monolayer, settlement assay, Gibbs surface energy, surface charge, Balanus amphitrite
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-73105 (URN)10.1080/08927014.2011.625474 (DOI)000296722800009 ()
Note

Funding Agencies|European Community|237997|Office of Naval Research|N00014-08-1-1240|COST Action|TD0906|

Available from: 2011-12-16 Created: 2011-12-16 Last updated: 2017-05-31
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-6175-1815

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