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IOP Publishing, Journal of Physics: Condensed Matter, 2(28), p. 025501

DOI: 10.1088/0953-8984/28/2/025501

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The variation of PbTiO<sub>3</sub>bandgap at ferroelectric phase transition

Journal article published in 2015 by V. Železný ORCID, D. Chvostová, D. Šimek, F. Máca, J. Mašek, N. Setter, Yu Hong Huang
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Optical properties of the [Formula: see text] thin films fabricated by chemical solution deposition have been measured with variable angle spectroscopic ellipsometry in the spectral range of 1-6 eV and in the temperature interval from room temperature to 950 K. The optical response functions and band gap energy were determined in the whole temperature range. The direct band gap varies from the value 3.88 eV at room temperature to the value 3.67 eV just above the phase transition. The temperature dependence of the film lattice parameters was also measured by x-ray and it shows a strong correlation with the band gap. The comparison of experimental data with ab initio electronic structure calculations simulating the temperature development of dielectric function and band gap is also presented.