Optical properties of an epitaxial Na0.5Bi0.5TiO3 thin film grown by laser ablation: Experimental approach and density functional theory calculations

This study reports on the determination of the optical constants of a lead-free ferroelectric material, Na0.5Bi0.5TiO3. The optical transmission measurements were carried out in the 300–3000 nm wavelength range, on a (100)-oriented Na0.5Bi0.5TiO3 thin film, epitaxially grown by laser ablation on a (100)MgO single crystal substrate. Applying the “method of the envelopes,” developed by Manifacier et al. [J. Phys. E 9, 1002 (1976)] and by Swanepoel [J. Phys. E 16, 1214 (1983)], the analysis of the observed interference fringes allowed extracting some optical data for Na0.5Bi0.5TiO3, namely the linear refractive and extinction indices n and k, the absorption coefficient α, and as well the nature (direct or indirect transition) and value of the optical band gap. It was found that n∞=2.321 and the transmission data suggested a 3.30 eV indirect transition. Our experimental results are thus in opposition to the few data reported so far for Na0.5Bi0.5TiO3, where a direct transition was evoked. Therefore, we have c...