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) (a) Band diagram for fluorite TiO₂ and (b) energy band gap between VBM and CBM.