Structural and magnetic properties of the solid solution series Sr2Fe1–xMxReO6(M = Cr, Zn)

First-principles study on the half-metallic Tc-doped Sr2FeReO6

“…The FeO 6 and ReO 6 octahedral alternate along the three cubic axes, while Sr atoms occupy the hollow formed by the corners of FeO 6 and ReO 6 octahedral at the body-centered positions. The optimized lattice constants a ¼b¼7.887Å and c¼7.915Å for bulk Sr 2 FeReO 6 agrees very well with the experimental values [16][17][18][19]. To study the electronic and magnetic properties Sr 2 FeRe 1 À x Tc x O 6 (x ¼0.25, 0.50, 0.75 and 1.00), we have constructed a cubic supercell consisting of 40 atoms.…”

Magnetic transitions in double perovskiteSr2FeRe1−xSbxO6Jung1, Ksenofontov2, Reiman3 et al. 2006Phys. Rev. BSelf Cite

“…It contains ferromagnetically aligned magnetic moments of Fe atoms in the Fe sublattice and ferromagnetically aligned magnetic moments of Re atoms in the Re sublattice which leads to an overall ferrimagnetic behavior by superexchange via the oxygen atoms. 1,[9][10][11][12]17 The superexchange pathways Fe-O-Re-O-Fe critically depend on the properties of the elements involved. A replacement of the Re atoms by a nonmagnetic, main group element with fixed valence such as Sb should have a dramatic influence on the superexchange pathways of the compound because of the lack of d orbitals of Sb.…”

“…Therefore, heavy Zn dilution leads to the transformation of the ferrimagnetic to the ferromagnetic type of ordering. 1 Sr 2 FeReO 6 as well as Sr 2 FeMoO 6 belong to the family of double perovskites of the general formula A 2 MMЈO 6 , where the M and MЈ sites are occupied alternatively by different transition metal cations ͑Mϭfirst row transition metal; MЈ =Mo,W,Re͒. 6,7 The ideal structure of these compounds can be viewed as a regular arrangement of corner sharing MO 6 and MЈO 6 octahedra alternating along the three directions of the crystal with large A cations situated in the voids between the octahedra ͑Fig.…”

“…The origin of the large density of states in the vicinity of the Fermi level can be related to a van Hove singularity in the band structure of these compounds as it was suggested in a previous study. 1 It could be demonstrated by the systematic use of electronic band structure calculations that it is possible to predict and tune the electronic structure of spintronic materials, e.g., by diamagnetic dilution [2][3][4][5] ͑i.e., systematic replacement of ions contributing to the magnetic interactions within the sample by diamagnetic ions͒ of the Fe-sublattice by Zn 2+ which leads to a transition of the magnetic properties from ferrimagnetic for slight Zn-doping ͑up to 60%͒ to ferromagnetic for heavy Zn-doping ͑Ͼ60% ͒. This conclusion was drawn from the weak overall concentrational dependence of the paramagnetic Curie temperature in the solid solution series Sr 2 Fe 1−x Zn x ReO 6 ͑0 Ͻ x Ͻ 0.9͒ which is compatible with itinerant magnetic behavior.…”

Synthesis, structural and electrical characterizations of Sr2Fe1−xMxNbO6 (M=Zn and Cu) with double perovskite structure

“…Jurado and coworkers reported that Fe-containing perovskite oxides exhibited quite high oxide ionic and electronic conductivities [16], therefore many extensive researches are focused on Fe-containing perovskite compounds. Some new families of compounds based on the double perovskite structure are known, including (Ba/Sr/Ca) 2 FeMoO 6 [1,[17][18][19], Sr 2 FeReO 6 [20][21][22], Sr 2 FeSbO 6 [23], and (Ba/Sr/Ca) 2 FeNbO 6 etc [8,[23][24][25][26][27]. T. S. Irvine group reported that Sr 2 FeNbO 6 might be candidate for SOFC anode application if a film anode could be applied [8].…”