Tuning structure and mechanical properties of Ta-C coatings by N-alloying and vacancy population

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Authors

  • T. Glechner
  • Paul Heinz Mayrhofer
  • S. Fritze
  • E. Lewin
  • V. Paneta
  • D. Primetzhofer
  • Szilárd Kolozsvári
  • Helmut Riedl

External Organisational units

  • Institute of Materials Science and Technology
  • Uppsala University
  • Plansee Composite Materials GmbH

Abstract

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 40 GPa to 26 GPa 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.

Details

Original languageEnglish
Article number17669
Number of pages11
JournalScientific reports (London : Nature Publishing Group)
Volume8.2018
DOIs
Publication statusPublished - 5 Dec 2018