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

Abstract Electronic, crystal structure and the surface morphology of the Sr 2 DyRuO 6 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 P2 1 / n (#14) space group and 1:1 ordered arrangement of the Ru 5 + and Dy 3 + -cations over the six-coordinate M′ sites, with lattice parameters a  = 5.7774(2) A, b  = 5.7948(2) A, c  = 8.1848(2) A, angle β = 90.181(3)° and V = 276.88(1) A 3 . 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 Ru 5 + and Dy 3 + are responsible of magnetic character of the Sr 2 DyRuO 6 .