Abstract

LANDINEZ-TELLEZ, DAVID A.; DELUQUE TORO, CRÍSPULO ENRIQUE  and  ROA-ROJAS, JAIRO. ELECTRONIC, STRUCTURAL AND FERROELECTRIC PROPERTIES OF THE Ba₂ZrTiO₆ DOUBLE PEROVSKITE. Dyna rev.fac.nac.minas [online]. 2014, vol.81, n.183, pp.126-131. ISSN 0012-7353.  https://doi.org/10.15446/dyna.v81n183.34859.

We report the synthesis, the structural characterization, the ferroelectric behavior and the electronic properties of complex perovskite Ba₂ZrTiO₆. Samples of Ba₂ZrTiO₆ were synthesized through the standard solid state reaction method. The crystalline structure was studied by means of X-ray diffraction experiments and Rietveld-like analysis. Results reveal that the material crystallizes in a rhomboidal structure, space group R-3 (#148), with cell parameter a=5.8038(7) Å. The ferroelectric response of material was established from curves of polarization as a function of applied electric field. Our results reveal that the double perovskite Ba₂ZrTiO₆ has a ferroelectric hysteretic behavior at room temperature. The studies of the electronic structure show that Ba₂ZrTiO₆ behaves as a nonmetallic material with gap energy 2.32 eV. The structural parameters obtained from energy minimization, through the Murnaghan equation state are 99.5% in agreement with the experimental data.

Keywords : Double perovskite; ferroelectric properties; electronic structure.

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