Resumo

CARDONA, Ramiro; LANDINEZ-TELLEZ, David A.  e  ROA-ROJAS, Jairo. Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr₂DyNbO₆ material. Dyna rev.fac.nac.minas [online]. 2017, vol.84, n.201, pp.88-94. ISSN 0012-7353.  https://doi.org/10.15446/dyna.v84n201.55710.

We report experimental and theoretical results of crystal structure, morphology, magnetic and electric features, and electronic structure for the Sr2DyNbO6 ceramic compound. Samples were produced by the solid-state reaction recipe. X-ray diffraction experiments show that the material crystallizes in a monoclinic structure, P21/n space group. SEM images exhibit a granular submicrometric surface. Temperature curves of magnetic susceptibility reveal a paramagnetic response. Curie law fitting permitted to obtain a magnetic moment 10.28 (B . Polarization as a function of electric fields shows a hysteretic feature with 264.28 relative dielectric constant at 300 K. DFT calculations of electronic structure suggest the semiconductor character of this material, energy gap 3.21 eV for the spin-up polarization and 0.26 eV for spin-down. The calculated effective magnetic moment was 10.0 (B , which is strongly in accordance with the measured value. The theoretical cell parameters obtained from the Murnaghan state-equation are 98.5% in agreement with the experimental result.

Palavras-chave : Complex perovskite; magnetic properties; electronic structure.

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