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Tuning structure and mechanical properties of Ta-C coatings by N-alloying and vacancy population
Verfasser / Verfasserin Glechner, Thomas ; Mayrhofer, P.H. ; Holec, D. ; Fritze, S. ; Lewin, E. ; Paneta, V. ; Primetzhofer, D. ; Kolozsvári, S. ; Riedl, H.
Erschienen in
Scientific Reports, 2018, Jg. 8, H. article number 17669, S. 1-11
ErschienenNature Publishing Group, 2018
DokumenttypAufsatz in einer Zeitschrift
Schlagwörter (EN)Ceramics / Computational methods / Design, synthesis and processing / Mechanical properties / Surfaces, interfaces and thin films
Projekt-/ReportnummerSwedish Foundation for Strategic Research (SSF): RIF14-0053
Projekt-/ReportnummerVR-RFI: 2017-00646_9
URNurn:nbn:at:at-ubtuw:3-4589 Persistent Identifier (URN)
 Das Werk ist frei verfügbar
Tuning structure and mechanical properties of Ta-C coatings by N-alloying and vacancy population [2.33 mb]
Zusammenfassung (Englisch)

Tailoring mechanical properties of transition metal carbides by substituting carbon with nitrogen atoms is a highly interesting approach, as thereby the bonding state changes towards a more metallic like character and thus ductility can be increased. Based on ab initio calculations we could prove experimentally, that up to a nitrogen content of about 68% on the non-metallic sublattice, Ta-C-N crystals prevail a face centered cubic structure for sputter deposited thin films. The cubic structure is partly stabilized by non-metallic as well as Ta vacancies the latter are decisive for nitrogen rich compositions. With increasing nitrogen content, the originally super-hard fcc-TaC0.71 thin films soften from 40GPa to 26GPa for TaC0.33N0.67, accompanied by a decrease of the indentation modulus. With increasing nitrogen on the non-metallic sublattice (hence, decreasing C) the damage tolerance of Ta-C based coatings increases, when characterized after the Pugh and Pettifor criteria. Consequently, varying the non-metallic sublattice population allows for an effective tuning and designing of intrinsic coating properties.

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