The high-temperature oxidation of Hf-modified NiAl alloy at 950 °C results in the formation γ-Al2O3 and θ-Al2O3. Exclusive HfO2 particles is observed adherent γ-Al2O3/NiAl interface. By contrast, θ-Al2O3/NiAl interface multi-layered oxide growth consisting alternate thin thick layers θ-Al2O3 NiAl2O4 along with dispersed layers. This difference elucidated by first-principle calculations showing ...