Toughening mechanism in superstructure Hf6Ta2O17 thin film

Fracture toughness is a key indicator to estimate the anti-peeling performance of thermal barrier coatings (TBCs). A unique superstructure endows Hf6Ta2O17 with an outstanding phase stability and mechanical property, which also poses great challenges for studying its intrinsic toughening mechanism. Here, the superstructure Hf6Ta2O17 single crystal film was epitaxially grown on YSZ(011) substrate by pulsed laser deposition. An uncommon ripple pattern near the Vickers indentation crack tips was first reported. The pop-in signals in the load-displacement curve indicated it may be relevant to ferroelastic domain transformation, which was further confirmed by spontaneous strain distribution in HRTEM. The transformation path, predicted by DFT, was conducted in b→c ferroelastic domain through in-plane rotation of Hf-O/Ta-O polyhedrons. The corresponding critical stress for domain transformation was up to 5.83 GPa. In addition, an intrinsic ductility was confirmed with a high Pugh ratio B/G of 2.49, much larger than the critical value (1.75) for brittle-ductile transition. These two mechanisms make contribution to the superior fracture toughness of Hf6Ta2O17. This work provides a deep insight into the toughening mechanism of ceramics and paves the way to design of next-generation TBCs.