Structural, electronic, and mechanical properties of cubic TiO<sub>2</sub>: A first-principles study

Structural, electronic, and mechanical properties of cubic TiO₂: A first-principles study

Dash Debashish^{1, †}, Pandey Chandan K¹, Chaudhury Saurabh¹, Tripathy Susanta K²

(color online) Total energy vs. total volume for (a) fluorite-structured TiO₂ and (b) pyrite-structured TiO₂.