Electronic, crystal structure and morphological properties of the Sr2DyRuO6 double perovskite

Electronic, crystal structure and the surface morphology of the Sr2DyRuO6 double perovskite, has been investigated. Measurements of X-ray diffraction and Rietveld analysis show that this compound crystallizes in a perovskite monoclinic structure which belongs to the P21/n (#14) space group and 1:1 ordered arrangement of the Ru5 + and Dy3 +-cations over the six-coordinate M′ sites, with lattice parameters a = 5.7774(2) Å, b = 5.7948(2) Å, c = 8.1848(2) Å, angle β= 90.181(3)° and V = 276.88(1) Å3. A morphological characterization of material was performed by Scanning Electron Microscopy (SEM). Results show the granular feature of compound with particle size D = 37.2 nm. Semi-quantitative compositional studies were carried out from Energy Dispersive X-ray experiments (EDX), and calculations of electronic structure were performed by Density Functional Theory (DFT). Density of states (DOS) study was carried out considering the two spin polarizations, and spin-polarized DOS was obtained from the experimental lattice constants. Results show that the Ru5 + and Dy3 + are responsible of magnetic character of the Sr2DyRuO6.

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► Study of Electronic, crystal structure and morphology of Sr2DyRuO6 double perovskite.
► X-ray diffraction pattern of Sr2DyRuO6 corresponds to monoclinic P21/n space group.
► Scanning Electron Microscopy and the Scherrer equation show particle size D = 37.2 nm.
► The Ru5 + and Dy3 + ions are responsible for magnetic character of Sr2DyRuO6 perovskite.
► The Sr2DyRuO6 is conductor for spin-up and semiconductor for spin-down polarizations.