<div class="csl-bib-body">
<div class="csl-entry">Gutschka, C., Salvadores Farran, N., Holec, D., Schneider, J. M., & Riedl-Tragenreif, H. (2026, June 16). <i>Thermal Stability of Amorphous Al-Si-O Thin Films Unraveled by Ab Initio Methods</i> [Conference Presentation]. ÖGV Seminar 2026, Korneuburg, Austria.</div>
</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/228906
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dc.description.abstract
In thin film technology, amorphous Al2O3 ─ based coatings are well known for their high temperature
stability, oxidation and corrosion resistance, combined with electrical and optical properties, leading to
a broad field of possible applications. However, technically requested durability in thermal loading and
harsh environments induces the request for prolonging the integrity of the as-deposited structures, by
impeding phase transitions to a crystalline state. While literature experimentally demonstrated this
may be achieved via alloying with Si [1], current theoretical understanding is lacking.
Therefore, this study seeks to fill the existing knowledge gap by connecting experimental analysis of
PVD-synthesized thin films by the means of X-ray photoelectron spectroscopy (XPS) and X-ray
diffraction (XRD)-based annealing experiments with density functional theory (DFT) simulations. The
latter compromises an analysis of chemical stability of amorphous and crystalline phases in the Al2O3
rich region of the Al-Si-O phase diagram. This is combined with an in-depth analysis of short and
medium range order, chemical bonding, network vibrations, and void-mediated hopping events of the
amorphous (Al,Si)2O3 phase. An insignificant impact of the hopping barrier energy, alongside a distinct
reduction in hopping attempts mediated through Si alloying can be stated as main findings of the
present study.
[1] Bolvardi H, et al., J Appl Phys 2015;117:025302.
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dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.language.iso
en
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dc.subject
alumina
en
dc.subject
DFT
en
dc.subject
thin films
en
dc.title
Thermal Stability of Amorphous Al-Si-O Thin Films Unraveled by Ab Initio Methods
en
dc.type
Presentation
en
dc.type
Vortrag
de
dc.contributor.affiliation
Montanuniversität Leoben, Austria
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dc.contributor.affiliation
RWTH Aachen University, Germany
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dc.relation.grantno
PAT1205324
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dc.type.category
Conference Presentation
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tuw.project.title
Unravelling the Solid Self-Lubrication Mechanisms of Boron Oxide on Transition Metal Boride Thin Films
