Preparation and characterisation of the double perovskite Sr2TaMnO6

The presented compound, Sr₂TaMnO₆, has a weak, disordered magnetic structure. The metal oxide was prepared under high isostatic oxygen pressure. The doubling of the perovskite structure was proven with electron diffraction and powder neutron diffraction. Combining neutron- and X-ray diffraction data, the room-temperature structure was modelled with the Rietveld method. Both octahedral positions are partially occupied by Mn and Ta, but with different Mn/Ta ratios. AC- and DC-magnetic measurements indicate a magnetic transition at about 17 K and the AC-magnetic susceptibility, both real and imaginary part, is frequency dependent, suggesting that the material has a spin-glass feature. The magnetic spins freeze during a wide temperature range and a possible explanation is a competative situation between the double exchange (ferromagnetism) and the super-exchange (anti-ferromagnetism).     

Electronic and magnetic structure studies of double perovskite Sr2CrReO6 by first-principles calculations

First-principles calculations have been performed to study the electronic band structure and ferromagnetic properties of the double perovskite Sr₂CrReO₆. The density of states (DOS), the total energy, and the spin magnetic moment were calculated. The calculations reveal that the Sr₂CrReO₆ has a stable ferromagnetic ground state and the spin magnetic moment per molecule is 1.0 μ_B, in good agreement with the experimental value. By analysis of the band structure, we propose that the ordered double perovskite Sr₂CrReO₆ is a strong candidate for half-metallic ferromagnet.     

Effect of La doping on magnetotransport and magnetic properties of double perovskite Sr2FeMoO6 system

We have investigated the magnetotransport and magnetic properties on polycrystalline samples of Sr_2−xLa_xFeMoO₆ (x=0$x=0$, 0.2, 0.4, 0.6, 0.8 and 1.0). The magnitude of intergrain tunneling magnetoresistance with low magnetic field of 0.88 T for x=0.2$x=0.2$ and 0.4$0.4$ samples are as large as 5% and 7% at room temperature and 13% and 10% at 10 K, respectively. The increase of coercivity (_Hc$H_{\mathrm{c}}$), ratio of remanent magnetization with respect to saturation magnetization (_Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$), high saturation fields, and reduction of the saturation magnetization indicate that random disorder of spin orientation is mainly responsible for enhancement of the low-field magnetoresistance for samples with x?0.4$x?0.4$. Whereas rapid drop of _Hc$H_{\mathrm{c}}$, _Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$, _Mr$M_{\mathrm{r}}$, and saturation fields for samples with x>0.4$x>0.4$ signifies the growth of antiphase boundary, which gives rise to lower values of low-field MR.     

Structural phase transitions at high-temperature in double perovskite Sr2GdRuO6

The crystal structure evolution of the Sr₂GdRuO₆ complex perovskite at high-temperature has been investigated over a wide temperature range between 298 K≤T≤1273 K. Powder X-ray diffraction measurements at room temperature and Rietveld analysis show that this compounds crystallizes in a monoclinic perovskite-type structure with P2₁/n (#14) space group and the 1:1 ordered arrangement of Ru⁵⁺ and Gd³⁺ cations over the six-coordinate M sites, with lattice parameters a=5.81032(8) Å, b=5.82341(4) Å, c=8.21939(7) Å, V=278.11(6) Å³ and angle β=90.311(2)^o. The high-temperature analysis shows that this material suffers two-phase transitions. At 373 K it adopts a monoclinic perovskite structure with I2/m space group, and lattice parameters a=5.81383(2) Å, b=5.82526(4) Å, c=8.22486(1) Å, V=278.56(2) Å³ and angle β=90.28(2)^o. Above of 773 K, it suffers a phase transition from monoclinic I2/m to tetragonal I4/m, with lattice parameters a=5.84779(1) Å, c=8.27261(1) Å, V=282.89(5) Å³ and angle β=90.02(9)^o. The high-temperature phase transition from monoclinic I2/m to tetragonal I4/m is characterized by strongly anisotropic displacements of the anions.     

Determination of antisite defects in double perovskite Sr2FeMoO6 by diffraction method: Simulation studies

The crystal structure of double perovskite Sr₂FeMoO₆ synthesized via solid-state reaction at 1280 °C under a reduction atmosphere is refined by Rietveld technique based on X-ray powder diffraction (XRD) data in 2θ range of 15-140°. An antisite content (AS), i.e. Fe on the Mo sites (=Mo on the Fe sites), of 12.1(1)% is derived. In reference to the refinement results, a series of X-ray and neutron powder diffraction (NPD) data with different antisite contents, ranging from 0 (completely ordered) to 50% (completely disordered), are generated with a Poisonian noise added and subjected to Rietveld refinements with the same initial values for the refinable parameters. The AS is reproduced satisfactorily from the refinement of XRD data and the combined refinement of XRD and NPD data with a relative deviation smaller than 4%, whereas the relative deviation of AS derived from the refinement of NPD data can be as large as 50%. However, the atomic occupancies and isotropic temperature factors of all the atoms can be reasonably reproduced from the refinement of NPD data and the combined refinement of XRD and NPD data, whereas these data can be reproduced only for cations (Sr, Fe, Mo) from the refinement of XRD data. The present simulation studies shed light on understanding the controversial statements derived from XRD and NPD work regarding the antisite defects in Sr₂FeMoO₆, which in turn is indispensable for understanding the mechanism of large room temperature low-field magnetoresistance of the compound.     

Influence of preparation method on SrMoO4 impurity content and magnetotransport properties of double perovskite Sr2FeMoO6 polycrystals

The magnetic and electric properties of the Sr₂FeMoO₆ compound produced under different preparation conditions were studied. Depending on the preparation condition, a strong variation in the nonmagnetic SrMoO₄ impurity content was found, which in turn determined the metallic or semiconducting behavior of the resistivity of the Sr₂FeMoO₆ compound. There was also evidence that SrMoO₄ played a crucial role in modifying the low magnetic field intergrain tunneling magnetoresistance in Sr₂FeMoO₆. In addition, we have established a simple method to prepare the single phase Sr₂FeMoO₆ polycrystals.     

Properties of Sr2FeMoO6 thin films fabricated by the chemical solution deposition method

We fabricated the ordered Sr₂FeMoO₆ (SFMO) thin film with a double perovskite structure using the chemical solution deposition (CSD) method. The highly c-axis oriented SFMO thin film with a high degree of Fe/Mo ordering was successfully synthesized on an MgO (001) substrate by optimizing processing conditions. The precise preparation process control of the SFMO precursor solution leads to a typical magnetoresistance effect in a low magnetic field at room temperature.     

Orbital-decomposed electronic and magnetic properties of the double perovskite Sr2FeReO6

The detailed orbital-decomposed electronic structures and magnetic properties of the double perovskite Sr₂FeReO₆ have been studied using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation (GGA). Both occupied and unoccupied s and three p states of Fe³⁺ ion are located far away from the Fermi level, while all up-spin states and most down-spin states are completely filled for the s and three p states of Re⁵⁺ ion. The octahedral crystal field of the oxygen atoms around transition-metal (TM) sites splits the five-fold degenerate d states of the free TM atoms into triply degenerate t_2g states with smaller bonding-antibonding splitting and doubly degenerate e_g states with larger bonding-antibonding splitting. The Fe³⁺ and Re⁵⁺ ions are in the states (3d⁵, S=5/2) and (5d², S=1) with magnetic moments 3.70 and −0.86μ_B, respectively and thus antiferromagnetic coupling via oxygen between them. There are no direct interactions between two nearest Fe-Fe or Re-Re pairs, whereas along each Fe-O-Re-O-Fe or Re-O-Fe-O-Re chains, the hybridizations between Fe 3d and 4s, O 2s and 2p, as well as Re 5p, 5d and 6s orbitals are fairly significant.     

Enhancement of Curie temperature and room-temperature magnetoresistance in double perovskite (Sr1.6Ba0.4)FeMoO6

The effects of A-site average cation size 〈r_A〉 and anti-site defects on Curie temperature (T_C) and room-temperature magnetoresistance (MR) in (Sr_2−xBa_x)FeMoO₆ (x=0, 0.4 and 1.6) have been investigated. By Ba doping, not only the room-temperature MR but also the T_C have been enhanced. The larger MR in the Ba-doped samples compared with the prototype Sr₂FeMoO₆ is associated with the lower saturation field. The optimization of T_C and MR in (Sr_1.6Ba_0.4)FeMoO₆ other than in the reported (Sr_0.4Ba_1.6)FeMoO₆ can be understood according to the two competing effects: anti-site defects and chemical pressure.     

High Curie temperature in B-site ordered Sr2CrWO6 epitaxial thin films

Epitaxial and c-axis oriented double perovskite Sr₂CrWO₆ thin films were prepared on SrTiO₃ (100) and LaAlO₃ (100) substrates by pulsed-laser deposition. Structural, magnetic and transport properties were found to be sensitive to the gas conditions employed during the deposition. A small amount of oxygen along with Ar during the deposition was found to be essential for B-site ordering; such films displayed lattice parameters close to the bulk value and display ferromagnetic metallic behavior. The Curie temperature observed above 500 K in these films is higher than bulk Sr₂CrWO₆ samples. Films grown without oxygen were observed to have long c-parameter and no B-site ordering; they were non-magnetic and semiconducting.     

Influence of Ba-doping on structural and luminescence properties of Sr2SiO4:Eu phosphors

Ba²⁺-doped Sr₂SiO₄:Eu²⁺ phosphors were synthesized with the high-temperature solid-state reaction technique. The experimental results, summarized in the successful production of a single-phase powder with fine microstructure of spherical particles with smooth surface, suggest that Ba²⁺-doping favors the stabilization of α′-Sr₂SiO₄. Rietveld refinement of X-ray diffractograms suggests that Ba²⁺ and Eu²⁺ ions occupy the sites of Sr²⁺ in the lattice of α′-Sr₂SiO₄. The produced phosphors show two intense emission bands at green and yellow regions of spectrum, originated from Eu²⁺ ions accommodated at two different sites in the host crystal, whose peaks depend on the concentrations of Ba²⁺ and Eu²⁺. Intense and broad excitation spectra extend from ultraviolet to the blue region.     

Structure and magnetic properties of perovskite Sr2CuNbO6−δ

Single phase perovskite Sr₂CuNbO_6−δ with a high proportion of Cu¹⁺ ions and oxygen vacancies was synthesized by solid-state reaction. The structure was determined by Rietveld method with space group Pm3m. Isotropic g value was evaluated from electron spin resonance (ESR) measurements. The ESR result is consistent with that of magnetic susceptibility.     

Magnetoresistive properties of Zn1−xCoxFe2O4 ferrites

The magnetic and magnetoresistive properties of spinel-type Zn_1−xCo_xFe₂O₄ (x=0, 0.2 and 0.4) ferrites are extensively investigated in this study. A large negative magnetoresistance (MR) effect is observed in Zn_1−xCo_xFe₂O₄ ferrites of spinel structure. These materials are either ferrimagnetic or paramagnetic at room temperature, and show a spin-(cluster) glass transition at low temperatures, depending on the chemical compositions. The MR curves as a function of magnetic fields, MR(H), are parabolic at all temperatures for paramagnetic polycrystalline ZnFe₂O₄. The MR for ZnFe₂O₄ at 110 K in the presence of 9 T applied magnetic field is 30%. On the other hand, MR(H) are linear for x=0.2 and 0.4 ferrimagnetic Zn_1−xCo_xFe₂O₄ samples up to 9 T. The MR effect is independent of the sintering temperatures, and can be explained with the help of the spin-dependent scattering and the Yafet–Kittel angle of Zn_1−xCo_xFe₂O₄ mixed ferrites.     

Magnetization and heat capacity studies of double perovskite compounds Ba2SmRuO6 and Ba2DyRuO6

Here we report the magnetic and heat capacity studies of the double perovskite compounds Ba₂SmRuO₆ and Ba₂DyRuO₆. Antiferromagnetic transitions are inferred at 54 and 47 K in Ba₂SmRuO₆ and Ba₂DyRuO₆, respectively, in the magnetization measurements. Heat capacity measurements show large jumps at the corresponding temperatures and confirm the bulk magnetic ordering. Both the measurements provide clear indication of the ordering of the rare earth moments also along with the Ruthenium moments. However, the heat capacity results suggest that the ordering of rare earth magnetic moments is spread over a large temperature range. An anomaly observed in the magnetization measurements at 42 K (below the magnetic ordering) in Ba₂SmRuO₆ is discerned as a reorientation of Sm³⁺ moments.     

Effect of disorder on the electronic structure of the double perovskite Sr2FeMoO6

Recently, Sr₂FeMoO₆ has been established as a new colossal magnetoresistance material with substantial low-field magnetoresistance at room temperature and has attracted much attention in the double perovskite family. This material always appears with a certain degree of miss-site disorder where Fe and Mo interchange their positions. Using renormalized perturbation expansion, we calculate the density of states and determine the variation of the critical temperature in the low disorder regime.     

High-pressure synthesis,characterization, and equation of state of double perovskite Sr2CoFeO6

Double perovskite oxide Sr2Co Fe O6(SCFO)has been obtained using a high-pressure and high-temperature(HPHT)synthesis method.Valence states of Fe and Co and their distributions in SCFO were examined with X-ray photoelectron spectroscopy.The electric transport behavior of SCFO showed a semiconductor behavior that can be well described by Mott’s law for variable-range hopping conduction.The structural stability of SCFO was investigated at pressures up to 31GPa with no pressure-induced phase transition found.Bulk modulus B0was determined to be 163(2)GPa by fitting the pressure–volume data to the Birch–Murnaghan equation of state.     

Structural and electronic behavior of Sr2GdRuO6 complex perovskite

We report experimental and theoretical study of crystallographic lattice and electronic structure of Sr₂GdRuO₆ complex perovskite, which is used as precursor in the fabrication process of superconducting ruthenocuprate RuSr₂GdCu₂O₈. Samples were produced by the standard solid state reaction. Rietveld refinement of experimental X-ray diffraction patterns shows that material crystallizes in a monoclinic structure, which belongs to the P2₁/n (#14) space group, with lattice parameters , , , and tilt angle β=90.258. Calculations of electronic structure were performed by the density functional theory. The exchange and correlation potentials were included through the LDA+U approximation. Density of states (DOS) study was carried out considering the two spin polarizations. Results show Gd are majority responsible for the magnetic character in this material, but Ru contribution is also relevant because d-orbital is closer to Fermi level. Theoretical results evidence that Sr₂GdRuO₆ material behaves as a magnetic semiconductor, with 20μ_B effective magnetic moment.     

Infrared reflectivity of Cox(SiO2)1−x (x∼0.85, 0.55, 0.38) granular films on SiO2 glass substrates

We report the infrared specular reflectivity of Co_x(SiO₂)_1−x (x∼0.85, 0.55, 0.38) films on SiO₂ glass spanning from a metal-like to insulating behavior. While films for x∼0.85 show carrier metallic shielding and hopping conductivity, for x∼0.65 and lower concentrations, the nanoparticles’ number and size promote a localization edge near the highest longitudinal optical frequency. Such an edge is associated with a reflectivity minimum and a higher frequency band connoting strong electron-phonon interactions, carrier phonon assisted hopping, and polaron formation. Optical conductivity fits with current polaron models provide grounds toward a microscopic understanding of transport properties in these as-prepared granular films.     

Electrical analysis of a newly synthesized rare earth double perovskite oxide: Sr2CeNbO6

A polycrystalline rare earth double perovskite oxide, strontium cerium niobate, Sr₂CeNbO₆ (SCN) is synthesized by solid state reaction technique for the first time. Impedance spectroscopy is employed to determine the electrical parameters (resistance (R), capacitance (C) and relaxation time (τ)) of SCN in a temperature range from 303 to 703 K and in a frequency range from 100 Hz to 1 MHz. The spectrum of imaginary part of complex impedance (Z″) at each temperature exhibits one relaxation peak. The modified Cole-Cole equation is used (experimental data is fitted with this model) to describe these relaxation peaks. Scaling behaviour of Z″ suggests that the relaxation describes the same mechanism at the entire temperature range. Impedance data of SCN that have capacitive and resistive components is represented by Nyquist diagram. The experimental impedance data is fitted using equivalent RC circuit at various temperatures. The grain conduction and τ follow an Arrhenius law associated with activation energy 0.87 and 0.88 eV, respectively.     

Structural and vibrational properties of Ca2FeH6 and Sr2RuH6

The structural and vibrational properties of the isostructural compounds Ca₂FeH₆ and Sr₂RuH₆ are determined by periodic DFT calculations and compared with their previously published experimental crystal structures as well as new experimental vibrational data. The analysis of the vibrational data is extended to the whole series of alkaline-earth iron and ruthenium hydrides A₂TH₆ (A=Mg, Ca, Sr; T=Fe, Ru) in order to identify correlations between selected frequencies and the T-H bond length. The bulk moduli of Ca₂FeH₆ and Sr₂RuH₆ have also been determined within DFT. Their calculated values prove to compare well with the experimental values reported for Mg₂FeH₆ and several other compounds of this structure.