Optical properties of anatase and rutile TiO<sub>2</sub> studied by GGA+<em>U</em>

Optical properties of anatase and rutile TiO₂ studied by GGA+U

Li Jinping^{¹, ³, †}, Meng Songhe^¹, Qin Liyuan^¹, Lu Hantao^²

(color online) The band structure and DOS of r-TiO obtained by GGA ( eV, eV). (a) Band structure. The total DOS, the partial DOSs of Ti and O atoms are shown in panels (b), (c), and (d), respectively.