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Optical properties of epitaxial Na 0.5 Bi 0.5 TiO 3 lead-free piezoelectric thin films: Ellipsometric and theoretical studies

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Abstract Ultra-thin Na 0.5 Bi 0.5 TiO 3 films were epitaxially deposited on (001)SrTiO 3 substrate by pulsed laser deposition. From the ellipsometric spectra collected in the photon energy range… Click to show full abstract

Abstract Ultra-thin Na 0.5 Bi 0.5 TiO 3 films were epitaxially deposited on (001)SrTiO 3 substrate by pulsed laser deposition. From the ellipsometric spectra collected in the photon energy range 2÷8.7 eV, real and imaginary parts of the complex dielectric function were determined. It was found, that the electronic transitions related to the fundamental absorption edge are of indirect type, which is confirmed by ab initio band structure calculations. This finding is in contradiction to previous theoretical studies but in agreement with the most recent experimental works. Based on their determined energies, phonons involved in the band gap transition can be primarily associated with vibrations involving oxygen atoms. Contributions to the VUV absorption spectra come mainly from the electronic transitions from the O 2 p valence band levels to Ti 3 d conduction band levels and a little to the Bi p levels.

Keywords: theoretical studies; lead free; optical properties; tio lead; epitaxial tio; properties epitaxial

Journal Title: Applied Surface Science
Year Published: 2017

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