Compound Sr Research Articles

Investigation of genotoxicity risk in healthcare workers that has occupational exposure to antineoplastic drugs

With increasing temperature, Sr2ScSbO6 undergoes three structural phase transitions at approximately 400K, 560K and 650K, leading to the following sequence of phases: P21/n→I2/m→I4/m→Fm3¯m, making it an ideal candidate to study the effects of octahedral tilting while keeping other parameters fixed. To ascertain the isolated effects of octahedral distortions, the electronic and optical properties of the monoclinic P21/n (at room temperature), monoclinic I2/m (at 430K), tetragonal I4/m (at 613K) and the cubic Fm3¯m (at 660K) phases have been studied in terms of the electronic structure, dielectric constant, optical conductivity and electron energy loss spectrum using density functional theory. Ca2ScSbO6, on the other hand, shows only a P21/n phase at room temperature and its properties have been compared with the corresponding Sr compound. UV–Vis spectroscopic studies of the optical properties of the room-temperature phase of these d0 double perovskites have been performed and presence of large direct bandgap for both the compounds have been reported. The electronic bandgaps for the room temperature phases are found to be in good agreement with the corresponding experimental values obtained using the Kubelka-Munk function. Interestingly, in contrast to other Sc-based d0 double perovskites, with increasing octahedral distortions, the effective t2g bandwidth remains unaffected while the states forming the band change due to changes in unit cell orientation, leading to small effects on the electronic and optical properties.

Ab-initio investigation of AGeO3 (A = Ca, Sr) compounds via Tran–Blaha-modified Becke–Johnson exchange potential**Project supported by the Deanship of Scientific Research at King Saud University, Saudi Arabia (Grant No. RGP-VPP-311).

We employ ab-initio calculations to analyze the mechanical, electronic, optical and also thermoelectric properties associated with AGeO3 (A = Ca, Sr) compounds. The full-potential linearized augmented plane wave (FP-LAPW) technique in the generalized gradient approximation (GGA-PBEsol) and the lately designed Tran–Blaha-modified Becke–Johnson exchange potential are utilized to examine the mechanical and optoelectronic properties respectively. To explore the thermoelectric quality, we use the semi-classical Boltzmann transport theory. The particular structural stabilities regarding AGeO3 (A = Ca, Sr) materials are validated simply by computations from the elastic constants. The energy band structural framework and the density of states are displayed to indicate indirect bandgap under ambient conditions. The particular computed optical attributes that reveal prospective optoelectronic applications are usually elucidated simply by studying ε1(0) and also Eg, which can be connected by means of Penn’s design. The optical details uncover the actual suitability to power ranging products. Finally, the BoltzTraP code is executed to analyze the actual thermoelectric properties, which usually presents that the increase of internal temperatures can enhance the electric conductivity, thermal conductivity and also the power factor, whilst Seebeck coefficient decreases. Therefore, the studied materials will also be ideal for thermoelectric products to understand helpful option for alternative energy resources.

Spin dynamics in the distorted triangular lattice antiferromagnet α−SrCr2O4

The spin dynamics in the distorted triangular lattice antiferromagnet $\ensuremath{\alpha}\ensuremath{-}{\mathrm{SrCr}}_{2}{\mathrm{O}}_{4}$ has been investigated by inelastic neutron scattering on a single crystal. The spin wave dispersion has been mapped out in the $(0\phantom{\rule{4pt}{0ex}}k\phantom{\rule{4pt}{0ex}}l)$ and $(h\phantom{\rule{4pt}{0ex}}k\phantom{\rule{4pt}{0ex}}0)$ planes, and modeled by spin wave calculations, in order to determine the intraplane and interplane exchange couplings. Comparison with $\ensuremath{\alpha}\ensuremath{-}{\mathrm{CaCr}}_{2}{\mathrm{O}}_{4}$ shows that, despite the smaller lattice distortion of $\ensuremath{\alpha}\ensuremath{-}{\mathrm{SrCr}}_{2}{\mathrm{O}}_{4}$, the deviation from a perfect triangular lattice still affects the spin dynamics of the Sr compound, with a soft mode, similar to the one observed in the Ca counterpart, being observed in (020). Although $\ensuremath{\alpha}\ensuremath{-}{\mathrm{SrCr}}_{2}{\mathrm{O}}_{4}$ is further away from a magnetic phase boundary than its Ca counterpart, its dynamic magnetic properties still show intriguing features, which are discussed as quantum fluctuations arising from a two-magnon continuum.

Ultrasonic effect on RuO2 nanostructures prepared by direct calcination of two new Ru(II)-organic supramolecular polymers

Two novel Ru(II) complexes [(η6-p-cymene)RuCl(L1)]PF6 (R1) and [(η6-C6H6)RuCl(L1)]PF6 (R3) with ligand (E)-4-(methylthio)-N-((quinolin-2-yl)methylene)benzenamine (L1), were synthesized and investigated using elemental analysis, IR, 1H NMR, 13C NMR spectroscopy and X-ray crystallography. Complexes R1 and R3 have coordination environments with formulated (η6-p-cymene)Ru(N2Cl) and (η6-C6H6)Ru(N2Cl) respectively. The thermal stabilities of compounds R1 and R3 were studied by thermal gravimetric (TG) and differential scanning calorimetry (DSC). The binding of the complexes R1 and R3 to calf thymus DNA (CT DNA) was investigated by using electronic absorption spectra, fluorescence and redox behavior studies. Such experimental data showed that there are interactions between complexes and CT-DNA and the nature of this binding is electrostatic interaction type. Calcination of ultrasonic treated R1 and R3 results in the formation of nanoparticles of RuO2. The nanoparticles were characterized by IR spectroscopy and X-ray diffraction (XRD). Also size and morphology of nanoparticles were investigated by scanning electron microscopy (SEM).

Gas-phase conversion of U, Sr, and Mo compounds into water-soluble forms in a nitrating atmosphere

Gas-phase conversion of uranyl molybdates UO2MoO4, UMo1.7O7.2, and UMo0.4O3.4, of strontium molybdate SrMoO4, and of strontium uranate SrUO4 into water-soluble compounds in the NOx–H2O (vapor)–air or HNO3 (vapor)–air atmosphere (hereinafter, nitrating atmosphere) was studied. The conversion of UO2MoO4, UMo1.7O7.2, and UMo0.4O3.4 in nitrating atmosphere results in formation of water-soluble uranium compounds and of the water-insoluble phase MoO3·2H2O. Rapid separation of the solution from the precipitate in reaction of UO2MoO4, UMo1.7O7.2, and UMo0.4O3.4 conversion products with water allows efficient transfer of U into the solution, with Mo remaining in the form of an insoluble precipitate. The conversion of SrMoO4 depends on the composition of the nitrating atmosphere. In the NOx–H2O (vapor)–air atmosphere, there is no SrMoO4 conversion, whereas in the HNO3 (vapor)–air atmosphere it is possible to reach ~85% conversion of SrMoO4 into water-soluble Sr compounds. Complete conversion of SrUO4 into water-soluble U and Sr compounds is reached when performing the gas-phase conversion at 130°С in both nitrating atmospheres. In the case of the HNO3 (vapor)–air atmosphere, increasing the process temperature to 150°С leads to a decrease in the amount of water-soluble U(VI) phases.

Ground state opto-electronic and thermoelectric response of cubic XSnO3 (X = Ba, Sr) compounds

The density functional has been implemented to deliberate the cubic perovskite XSnO3 (X = Ba, Sr) for their elastic, electronic, optical as well as thermoelectric characteristic. The XSnO3 (X = Ba, Sr) illustrates good pact of lattice parameter for these iso-structural compounds having cubic perovskite structure. The generalized gradient approximation based on the exchange-correlation functional is applied for computing structural and mechanical characteristic, whereas the electronic, optical and thermoelectric properties have been studied by the functional suggested by Tran and Blaha that is termed as of modified Becke-Johnson (mBJ) functional. The thermodynamics stability is recognized through the expression of enthalpies of formation, which is further verified from the calculated structural properties of cubic perovskite XSnO3 (X = Ba, Sr). Moreover, various elastic parameters such has bulk modules B, Cij, shear modulus G, Young's modulus Y, anisotropy factor, B/G ratio and Poisson's ratio ν have also been reported. It has been observed by band structure computation that the studied compounds exhibit an indirect band gap between the unoccupied Ba/Sr 6s/5s and the occupied O 2p orbitals. Detailed study of optical properties is presented under the incident photon energy upto 28 eV. Our computed static dielectric constant ε2(0) and refractive index n(0) are comparable with other theoretical and experimental values. Thermoelectric properties are presented in terms of computed Seebeck coefficient, electrical and thermal conductivities and their variation with the rise in temperature suggest that the studied compounds may find applications in the construction of various thermo-electric devices.

Effects of grain boundaries and defects on anisotropic magnon transport in textured Sr14Cu24O41

The strong spin-spin exchange interaction in some low-dimensional magnetic materials can give rise to a high group velocity and thermal conductivity contribution from magnons. One example is the incommensurate layered compounds (Sr,Ca,La)14Cu24O41. The effects of grain boundaries and defects on quasi-one-dimensional magnon transport in these compounds are not well understood. Here we report the microstructures and anisotropic thermal transport properties of textured Sr14Cu24O41, which are prepared by solid-state reaction followed by spark plasma sintering. Transmission electron microscopy clearly reveals nano-layered grains and the presence of dislocations and planar defects. The thermal conductivity contribution and mean free paths of magnons in the textured samples are evaluated with the use of a kinetic model for one-dimensional magnon transport, and found to be suppressed significantly as compared to single crystals at low temperatures. The experimental results can be explained by a one-dimensional magnon-defect scattering model, provided that the magnon-grain boundary scattering mean free path in the anisotropic magnetic structure is smaller than the average length of these nano-layers along the c axis. The finding suggests low transmission coefficients for magnons across grain boundaries.

The possibility of using cell test-systems for screening for anti-inflammatory activity of novel 5(S)-menthyloxy derivatives of 2(5H)-furanone

Aim. Study of the possibility of using cell experimental models (erythrocytes hemolysis and platelet aggregation) for screening for anti-inflammatory activity of novel synthesized 5(S)-menthyloxy derivatives of 2(5Н)-furanone (compounds R1-R6). 
 Methods. Evaluation of membrane-stabilizing activity of the test compounds was performed by means of models of erythrocyte hemolysis induced by hypotonic environment (osmotic hemolysis) and free radicals. Antiplatelet effect of the compounds was studied by inducing platelet aggregation by 1 mM arachidonic acid. Study of anti-inflammatory activity of novel potential anti-inflammatory molecules was performed with the use of the model of carrageenan-induced paw edema in mice. 
 Results. Compounds R1, R2, R3, and R4 increase the degree of osmotic hemolysis. Compounds R5, R6 decrease the intensity of hemolysis at different concentrations. Compounds R1, R2, R4 and R6 promote free-radical erythrocyte membrane damage at all tested concentrations. Compound R3 protects erythrocytes at low concentrations and promotes erythrocyte damage with increasing concentration. Compound R5 protects erythrocytes at concentrations 3×10-9 и 3×10-5 М. Compounds R1, R2, R4 enhance platelet aggregation at different concentrations. Compound R3 inhibits platelet aggregation at concentration 10-6 М, and at concentrations 10-8 and 10-5 М it induces platelet aggregation. Compound R5 does not affect platelet aggregation. Compound R6 inhibits platelet aggregation at all tested concentrations. On the basis of the results obtained from in vitro test systems compound R6 was selected for further studies of anti-inflammatory activity as it demonstrated maximum effect based on two out of three evaluation criteria. Compound R6 posseses anti-inflammatory activity in the model of inflammation. 
 Conclusion. The novel derivative of 2(5Н)-furanone bearing l-menthol moiety (compound R6) protects erythrocyte membrane from damaging action of hypotonic environment, inhibits platelet aggregation and demonstrates anti-inflammatory activity; cell experimental models can be used for the first phase of screening of novel chemical compounds for anti-inflammatory activity.

The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd3O4 (A = Ca, Sr).

The cubic semiconducting compounds APd3O4 (A = Ca, Sr) can be hole-doped by Na substitution on the A site and driven toward more conducting states. This process has been followed here by a number of experimental techniques to understand the evolution of electronic properties. While an insulator-to-metal transition is observed in Ca1-xNaxPd3O4 for x ≥ 0.15, bulk metallic behavior is not observed for Sr1-xNaxPd3O4 up to x = 0.20. Given the very similar crystal and (calculated) electronic structures of the two materials, the distinct behavior is a matter of interest. We present evidence of local disorder in the A = Sr materials through the analysis of the neutron pair distribution function, which is potentially at the heart of the distinct behavior. Solid-state 23Na nuclear magnetic resonance studies additionally suggest a percolative insulator-to-metal transition mechanism, wherein presumably small regions with a signal resembling metallic NaPd3O4 form almost immediately upon Na substitution, and this signal grows monotonically with substitution. Some signatures of increased local disorder and a propensity for Na clustering are seen in the A = Sr compounds.

Equiatomic AEAuX (AE=Ca-Ba, X=Al-In) Intermetallics: A Systematic Study of their Electronic Structure and Spectroscopic Properties.

The three intermetallic compounds SrAuGa, BaAuAl and BaAuGa were synthesised from the elements in niobium ampoules. The Sr compound crystallises in the orthorhombic KHg2 -type structure (Imma, a=465.6(1), b=771.8(2), c=792.6(2) pm, wR2 =0.0740, 324 F2 values, 13 variables), whereas the Ba compounds were both found to crystallise in the cubic non-centrosymmetric LaIrSi-type structure (P21 3, BaAuAl: a=696.5(1) pm; wR2 =0.0427, 446 F2 values, 12 variables; BaAuGa: a=693.49(4) pm, wR2 =0.0717, 447 F2 values, 12 variables). The samples were investigated by powder X-ray diffraction and their structures refined on the basis of single-crystal X-ray diffraction data. The title compounds, along with references from the literature (CaAuAl, CaAuGa, CaAuIn, and SrAuIn), were characterised further by susceptibility measurements and 27 Al and 71 Ga solid-state NMR spectroscopy. Theoretical calculations of the density of states (DOS) and the NMR parameters were used for the interpretation of the spectroscopic data. The electron transfer from the alkaline-earth metals and the group 13 elements onto the gold atoms was investigated through X-ray photoelectron spectroscopy (XPS), classifying these intermetallics as aurides.

LiCa4Si4N8F and LiSr4Si4N8F: Nitridosilicate Fluorides with a BCT‐Zeolite‐Type Network Structure

LiCa4Si4N8F and LiSr4Si4N8F were synthesized from Si3N4, LiNH2, CaH2/SrH2, and LiF through a metathesis reaction in a radiofrequency furnace. The crystal structures of both compounds were solved and refined on the basis of single‐crystal X‐ray diffraction data [LiCa4Si4N8F: P21/c (no. 14), a = 10.5108(3), b = 9.0217(3), c = 10.3574(3) Å, β = 117.0152(10)°, R1 = 0.0422, wR2 = 0.0724, Z = 4; LiSr4Si4N8F: P4nc (no. 104), a = 9.3118(4), b = 9.3118(4), c = 5.5216(2) Å, R1 = 0.0160, wR2 = 0.0388, Z = 2]. The silicate substructure of both compounds is built up of vertex‐sharing SiN4 tetrahedra, thereby forming a structure analogous to the BCT zeolite with Ca2+/Sr2+, Li+, and F– ions filling the voids. The crystal structure of LiSr4Si4N8F is homeotypic with that of Li2Sr4Si4N8O as it exhibits the same zeolite‐type [SiN2]2– framework, but incorporates LiF instead of Li2O. In contrast to the respective Sr compound, LiCa4Si4N8F shows a distortion of the BCT‐zeolite‐type network as well as an additional site for F. Both F sites in LiCa4Si4N8F exhibit different coordination spheres to LiSr4Si4N8F. The title compounds are the first reported lithium alkaline‐earth nitridosilicates containing fluorine. The crystal structures were confirmed by lattice‐energy calculations (MAPLE), energy‐dispersive X‐ray spectroscopy (EDX) measurements, and powder X‐ray diffraction. IR spectra confirmed the absence of N–H bonds.

Effects of octahedral tilting on the electronic structure and optical properties of d0 double perovskites A2ScSbO6 (A=Sr,Ca)

Abstract With increasing temperature, Sr 2 ScSbO 6 undergoes three structural phase transitions at approximately 400 K , 560 K and 650 K , leading to the following sequence of phases: P 2 1 / n → I 2 / m → I 4 / m → F m 3 ¯ m , making it an ideal candidate to study the effects of octahedral tilting while keeping other parameters fixed. To ascertain the isolated effects of octahedral distortions, the electronic and optical properties of the monoclinic P 2 1 / n (at room temperature), monoclinic I 2 / m (at 430 K ), tetragonal I 4 / m (at 613 K ) and the cubic F m 3 ¯ m (at 660 K ) phases have been studied in terms of the electronic structure, dielectric constant, optical conductivity and electron energy loss spectrum using density functional theory. Ca 2 ScSbO 6 , on the other hand, shows only a P 2 1 / n phase at room temperature and its properties have been compared with the corresponding Sr compound. UV–Vis spectroscopic studies of the optical properties of the room-temperature phase of these d 0 double perovskites have been performed and presence of large direct bandgap for both the compounds have been reported. The electronic bandgaps for the room temperature phases are found to be in good agreement with the corresponding experimental values obtained using the Kubelka-Munk function. Interestingly, in contrast to other Sc-based d 0 double perovskites, with increasing octahedral distortions, the effective t 2 g bandwidth remains unaffected while the states forming the band change due to changes in unit cell orientation, leading to small effects on the electronic and optical properties.

Magnetic properties of bilayer Sr3Ir2O7 : Role of epitaxial strain and oxygen vacancies

Using {\it ab initio} methods, we investigate the modification of the magnetic properties of the $m=2$ member of the strontium iridates Ruddlesden-Popper series Sr$_{m+1}$Ir$_{m}$O$_{3m+1}$, bilayer Sr$_3$Ir$_2$O$_7$, induced by epitaxial strain and oxygen vacancies. Unlike the single layer compound Sr$_2$IrO$_4$, which exhibits a robust in-plane magnetic order, the energy difference between in-plane and out-of-plane magnetic orderings in Sr$_3$Ir$_2$O$_7$ is much smaller and it is expected that small external perturbations could induce magnetic transitions. Our results indicate that epitaxial strain yields a spin-flop transition, that is driven by the crossover between the intralayer $J_1$ and interlayer $J_2$ magnetic exchange interactions upon compressive strain. While $J_1$ is essentially insensitive to strain effects, the strength of $J_2$ changes by one order of magnitude for tensile strains $\geq$ 3~\%. In addition, our study clarifies that the unusual in-plane magnetic response observed in Sr$_3$Ir$_2$O$_7$ upon the application of an external magnetic field originates from the canting of the local magnetic moments due to oxygen vacancies, which tilt the octahedral networks - thereby allowing for noncollinear spin configurations.

Systematic Relationship between Sr Content and the Lattice Constants in Sr Substituted Hydroxyapatite Thin Films

To increase the biocompatibility of hydroxyapatite (HA), Ca10(PO4)6(OH)2, the Sr substitution of Ca into the HA structure was effected to yield Ca10-xSrx(PO4)6(OH)2(Sr-HA). For medical and dental applications, it is important that Sr-HA is prepared as a thin film so that the Sr fully substitutes the Ca sites in the HA structure and does not form segregated impurities consisting of Sr compounds. If the segregated Sr forms different amounts of different impurities, the dissolution of the Sr into the living body will not be reproducible across different samples. To confirm the Sr substitution into the Ca site in the HA structure, the systematic variation in the lattice constants of the Sr-HA with Sr content was evaluated as the first step. The a- and c-axis lengths were found to exhibit a linear relationship with the Sr content for six samples with different Sr contents, indicating that the prepared Sr-HA thin films likely possessed partial Sr substitution into the Ca sites of the HA structure. This result is an important first step in the accurate evaluation of the biological effects of Sr-HA thin films.

First-principles study of the double perovskites Sr2XOsO6 (X = Li, Na, Ca) for spintronics applications

We investigated double perovskite compounds of the form Sr 2 XOsO 6 (X = Li, Na, Ca) using the full-potential linearized augmented plane wave (FP-LAPW) method. For the exchange-correlation energy, Wu and Cohen generalized gradient approximation (WC-GGA), Perdew, Burke and Ernzerhof GGA (PBE-GGA), Engel and Vosko GGA (EV-GGA), and GGA plus Hubbard U-parameter (GGA + U) were used. The calculated structural parameters are in good agreement with the existing experimental results. Calculation of different elastic constants and elastic moduli reveals that these compounds are elastically stable and possess ductile nature. The GGA + U approach yields quite accurate results of the bandgap as compared with the simple GGA schemes. The density of states plot shows that Sr-4d, Os-5d and O-2p states predominantly contribute to the conduction and valence bands. Further, our results regarding to the magnetic properties of these compounds reveal their ferromagnetic nature. In addition, these compounds seem to possess half-metallic properties, making them useful candidates for applications in spintronics devices.

Electronic Structure of EuAl4 Studied by Photoelectron Spectroscopy

The electronic structure of the divalent Eu compound EuAl4, which shows a charge density wave transition at TCDW = 140 K, was studied by hard X-ray angle-integrated photoelectron spectroscopy (HAXPES) and soft X-ray angle-resolved photoelectron spectroscopy (ARPES). The valence band and core-level spectra obtained by HAXPES are consistent with the divalent nature of Eu atoms in EuAl4. From the ARPES results, the Fermi surface as well as band structure in the vicinity of the Fermi energy (EF) of EuAl4 are very similar to those of its isostructural divalent Sr compound SrAl4, which has no 4f electrons. This suggests that the Eu atoms are divalent in EuAl4, and the 4f electrons are localized below 1.8 eV with the Eu 4f7 electronic configuration in the ground state. The ARPES spectra measured along the Γ–(Σ)–Z high-symmetry line did not show significant temperature dependences above and below TCDW within the energy resolution of 80–90 meV. Moreover, the Fermi surface mapping along the kz direction showed that...

The first-principle study of the electronic, optical and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) compounds

The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of [Formula: see text] [Formula: see text] and [Formula: see text] within the GGA. The calculated lattice constants and bulk modulus are found in agreement with previous studies. The present oxide–perovskite compounds are characterized as elastically stable and anisotropic. [Formula: see text] and [Formula: see text] are categorized as ductile compounds, whereas the [Formula: see text] compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect [Formula: see text]–[Formula: see text] energy bandgap for the present compounds. The hydrostatic pressure increases the energy bandgap and the width of the valence band. The character of the band structure does not change due to this pressure. The optical parameters are calculated in different radiation regions. Beneficial optics applications are predicted as revealed from the optical spectra. The transport properties are applied as a function of the variable temperatures or carrier concentration. It is found that the compounds under study are classified as a p-type semiconductor. The majority charge carriers responsible for conduction in these calculated compounds are holes rather than electrons.

Self-consistent (DFT + U) study of electronic, structural and magnetic properties in A2NiMoO6 (A = Ba, Sr) compounds

This work aims to study the double perovskites A2NiMoO6 (A = Ba, Sr) by using the first principle calculation, within the framework of the self-consistent Hubbard correction. The value of this correction, for Ni and Mo depends strongly on the type of the studied compounds. Such values are determinate as 7.35 eV for Ni and 5.42 eV for Mo in the compound Ba2NiMoO6, whereas in the case of Sr2NiMoO6 the calculated values are 8.71 eV and 5.48 eV for Ni and Mo compound respectively. Based on the densities of state calculation we show that both the compounds are semiconductors with gap energies of 2.20 eV and 2.10 eV for Ba2NiMoO6 for Sr2NiMoO6, respectively. The total energies comparison shows clearly that the ground state is G-type anti-ferromagnetic order in agreement with experimental results, the magnetic interactions are due to the super-exchange mechanism acting in long range via hybridization throw Ni-O-Mo-O-Ni path.

Effects of Bi doping on structural and magnetic properties of double perovskite oxides Sr2FeMoO6

A new series of double perovskite compounds Sr2−δBixFeMoO6 have been synthesized by solid-state reaction. δ refers to the nominal doping content of Bi (δ=0, 0.1, 0.2, 0.3, 0.4, 0.5), while the Bi content obtained by the Rietveld refinement is x=0, 0.01, 0.05, 0.08, 0.10 and 0.12. Their crystal structure and magnetic properties are investigated. Rietveld analysis of the room temperature XRD data shows all the samples crystallize in the cubic crystal structure with the space group Fm3‾m and have no phase transition. SEM images show that substituted samples present a denser microstructure and bigger grains than Sr2FeMoO6, which is caused by a liquid sintering process due to the effumability of Bi. The unit cell volume increases with augment of Bi3+ concentration despite the smaller ionic radius Bi3+ compared with the Sr2+, which is attributed to the electronic effect. The degree of Fe/Mo order (η) increases first and then decreases to almost disappearance with augment of Bi doping, which is the result of contribution from electronic effect. Calculated saturation magnetization Ms(3) according to our phase separation likeness model matches well with the experimental ones. The observed variations of magnetoresistance (MR) are consistent with the Fe/Mo order (η) due to the internal connection with anti-site defect (ASD).

Transport Properties of Metallic Ruthenates: ADFT+DMFTInvestigation

We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr_{2}RuO_{4}, Sr_{3}Ru_{2}O_{7}, SrRuO_{3}, and CaRuO_{3}, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr_{2}RuO_{4} has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.