Abstract
This study thoroughly examines the structure, mechanical properties and thermal stability of ZrN coating with oxygen modification. Incorporation of oxygen atoms initiates a structural transformation from fcc-ZrN to fcc-Zr(O)N solid-solution, followed by a mixed state comprising primarily fcc-Zr(O)N solid solution alongside a minor ZrO2 oxide phase, ultimately forming a pure ZrO2 coating. This structural transition induces initially an increment in hardness from ∼23.5 GPa of Zr(O0.02N0.98)0.96 to ∼31.7 GPa of Zr(O0.17N0.83)1.08 due to solid solution strengthening effect, but a subsequent reduction was noted as a result of the increment in ionic bonds and the formation of oxide phase. Remarkably, optimal oxygen levels (10 and 17 at.%) were found to enhance fracture toughness within cubic coatings, which were validated by combined experimental and DFT analyses, showcasing the nuanced influence of oxygen content on mechanical properties. Following thermal annealing, Zr-O-N coatings exhibited a systematic decomposition with the occurrence of ZrO2 oxide phase in contrast to the stable ZrN coating.
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