First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO₂ of Oxygen Vacancies

Table 1

Comparisons of lattice constants between calculation (including those obtained in another work) and experiment.

	Exp. [47]	This work	Relative error	Another work [45]
/nm	0.45929 ± 0.00005	0.4594	2.3950 × 10^−2%	0.4594
/nm	0.29591 ± 0.00003	0.2959	3.3794 × 10^−3%	0.2959
	0.03056 ± 0.00006	0.03059	9.8168 × 10^−2%	0.03059