We present first-principles calculations on the elastic constants, ideal tensile and shear strengths of cubic TiO2with a fluorite structure (f-TiO2). The results show that f-TiO2is mechanically stable at the ground-state structure. Both shear modulus and value of hardness predicted indicate that the hardness of f-TiO2is comparable with TiN but is lower than TiB2. The ideal shear strength results suggest that the hardness of f-TiO2is reduced because of the lower stress on the shear (1 1 1) 〈1 1̄ 0〉 slip system.
- Hard material
- Mechanical properties
- TiO 2
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Electrical and Electronic Engineering