Oxygen Dependence of Formation, Electronic State Transition, and Spin Polarization for Anatase TiO₂: A Comprehensive Study

Table 5

Band gaps, band gap type, and the number of defect band for anatase TiO₂.

O content/%	Band gap/eV	Band gap type	Defect band number
0	3.085	Indirect	0
	1.165 up gap	Indirect
3.125	2.019 down gap	Indirect	2
	1.0015 up gap	indirect
6.25	2.17 down gap	Indirect	2
	0.928 up gap	indirect
12.5	1.147 middle gap	Indirect	2
	0.43 down gap	Indirect