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

• Published in: Materials letters Vol. 82; pp. 116 - 119
• Main Authors: Triana, C.A., Téllez, D.A. Landínez, Rodríguez, J. Arbey, Fajardo, F., Roa-Rojas, J.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.09.2012
• Subjects: Crystal structure; Density functional theory; Density of states; Double perovskite; Electron microscopy; Electronics; Lattice parameters; Oxides; Perovskites; Scanning electron microscopy; X-ray techniques; X-rays; Double perovskite; Oxides; Density of states; X-ray techniques; Electron microscopy; Crystal structure
• ISSN: 0167-577X; 1873-4979
• DOI: 10.1016/j.matlet.2012.05.041

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. [Display omitted] ► 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=37.2nm. ► 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.