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

Abstract

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=37.2nm. 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.