Investigating routes toward atomic layer deposition of silicon carbide: Ab initio screening of potential silicon and carbon precursors

dc.check.date2017-10-18
dc.check.infoAccess to this item is restricted until 12 months after publication by the request of the publisher.en
dc.contributor.authorFilatova, Ekaterina A.
dc.contributor.authorHausmann, Dennis
dc.contributor.authorElliott, Simon D.
dc.contributor.funderLam Research Corporation, United Statesen
dc.date.accessioned2016-11-03T10:22:17Z
dc.date.available2016-11-03T10:22:17Z
dc.date.issued2016-10-18
dc.date.updated2016-11-03T10:02:31Z
dc.description.abstractSilicon carbide (SiC) is a promising material for electronics due to its hardness, and ability to carry high currents and high operating temperature. SiC films are currently deposited using chemical vapor deposition (CVD) at high temperatures 1500–1600 °C. However, there is a need to deposit SiC-based films on the surface of high aspect ratio features at low temperatures. One of the most precise thin film deposition techniques on high-aspect-ratio surfaces that operates at low temperatures is atomic layer deposition (ALD). However, there are currently no known methods for ALD of SiC. Herein, the authors present a first-principles thermodynamic analysis so as to screen different precursor combinations for SiC thin films. The authors do this by calculating the Gibbs energy ΔGΔG of the reaction using density functional theory and including the effects of pressure and temperature. This theoretical model was validated for existing chemical reactions in CVD of SiC at 1000 °C. The precursors disilane (Si2H6), silane (SiH4), or monochlorosilane (SiH3Cl) with ethyne (C2H2), carbontetrachloride (CCl4), or trichloromethane (CHCl3) were predicted to be the most promising for ALD of SiC at 400 °C.en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationFilatova, Ekaterina A; Hausmann, Dennis; Elliott, Simon D. (2017) 'Investigating routes toward atomic layer deposition of silicon carbide: Ab initio screening of potential silicon and carbon precursors'. Journal of Vacuum Science & Technology A, 35 (11):01B103-1-01B103-6. doi: 10.1116/1.4964890en
dc.identifier.doi10.1116/1.4964890
dc.identifier.endpage01B103-6en
dc.identifier.issn0734-2101
dc.identifier.issued11en
dc.identifier.journaltitleJournal of Vacuum Science & Technology Aen
dc.identifier.startpage01B103-1en
dc.identifier.urihttps://hdl.handle.net/10468/3235
dc.identifier.volume35en
dc.language.isoenen
dc.publisherAIP Publishingen
dc.rights© 2016 American Vacuum Society; AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in J. Vac. Sci. Technol. A 35(1), Jan/Feb 2017 and may be found at http://scitation.aip.org/content/avs/journal/jvsta/35/1/10.1116/1.4964890.en
dc.subjectFree energyen
dc.subjectWide band gap semiconductorsen
dc.subjectAtomic layer depositionen
dc.subjectDensity functional theoryen
dc.subjectSemiconductor growthen
dc.subjectSilicon compoundsen
dc.subjectAb initio calculationsen
dc.subjectSemiconductor thin filmsen
dc.titleInvestigating routes toward atomic layer deposition of silicon carbide: Ab initio screening of potential silicon and carbon precursorsen
dc.typeArticle (peer-reviewed)en
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