Elasticity and Anisotropy of Titanium Oxide TixOy
Faculty of Materials and Energy, Southwest University, Chongqing 400715, China
The elastic properties and their anisotropies of TixOy (TiO, TiO2, Ti2O3, Ti3O, Ti3O5) were investigated based on first-principles calculations with the generalized gradient approximation (GGA) . The elastic constants and modulus, Poisson’s ratio and universal anisotropic index were obtained. The bonds properties of the five materials were analyzed through Poisson’s ratio and Pugh modulus ratio (G/B). The five titanium oxides are elastically anisotropic. Details of anisotropies were demonstrated in 3D plots.
Key words: Titanium Oxide / first-principles / elasticity / anisotropy
© The Authors, published by EDP Sciences, 2016
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