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Title: Pressure-Induced Structural and Electronic Transition in Sr 2 ZnWO 6 Double Perovskite

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1262434
Resource Type:
Journal Article
Resource Relation:
Journal Name: Inorganic Chemistry; Journal Volume: 55; Journal Issue: 13
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Li, Nana, Manoun, Bouchaib, Tang, Lingyun, Ke, Feng, Liu, Fengliang, Dong, Haini, Lazor, Peter, and Yang, Wenge. Pressure-Induced Structural and Electronic Transition in Sr 2 ZnWO 6 Double Perovskite. United States: N. p., 2016. Web. doi:10.1021/acs.inorgchem.6b01091.
Li, Nana, Manoun, Bouchaib, Tang, Lingyun, Ke, Feng, Liu, Fengliang, Dong, Haini, Lazor, Peter, & Yang, Wenge. Pressure-Induced Structural and Electronic Transition in Sr 2 ZnWO 6 Double Perovskite. United States. doi:10.1021/acs.inorgchem.6b01091.
Li, Nana, Manoun, Bouchaib, Tang, Lingyun, Ke, Feng, Liu, Fengliang, Dong, Haini, Lazor, Peter, and Yang, Wenge. Tue . "Pressure-Induced Structural and Electronic Transition in Sr 2 ZnWO 6 Double Perovskite". United States. doi:10.1021/acs.inorgchem.6b01091.
@article{osti_1262434,
title = {Pressure-Induced Structural and Electronic Transition in Sr 2 ZnWO 6 Double Perovskite},
author = {Li, Nana and Manoun, Bouchaib and Tang, Lingyun and Ke, Feng and Liu, Fengliang and Dong, Haini and Lazor, Peter and Yang, Wenge},
abstractNote = {},
doi = {10.1021/acs.inorgchem.6b01091},
journal = {Inorganic Chemistry},
number = 13,
volume = 55,
place = {United States},
year = {Tue Jul 05 00:00:00 EDT 2016},
month = {Tue Jul 05 00:00:00 EDT 2016}
}
  • The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr 2ScOsO 6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Densitymore » functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.« less
  • The dielectric property and the electronic structure of a double perovskite, Sr{sub 2}FeSbO{sub 6} (SFS) synthesized by solid state reaction technique are investigated. The x-ray diffraction of the sample taken at room temperature shows cubic phase. The scanning electron micrograph of the sample also confirms the formation of the single phase of the material. We have measured the capacitance and conductance of SFS in a frequency range from 50 Hz to 1 MHz and in a temperature range from 163 to 463 K. A relaxation is observed in the entire temperature range as a gradual decrease in {epsilon}{sup '}({omega}) andmore » as a broad peak in {epsilon}{sup ''}({omega}). The frequency dependent electrical data are analyzed in the framework of conductivity and electric modulus formalisms. The frequencies corresponding to the maxima of the imaginary electric modulus at various temperatures are found to obey an Arrhenius law with an activation energy of 0.74 eV. The Cole-Cole model is used to study the dielectric relaxation of SFS. The scaling behavior of imaginary part of electric modulus suggests that the relaxation describes the same mechanism at various temperatures. The frequency dependent conductivity spectra follow the universal power law. The electronic structure of the SFS is studied by x-ray photoemission spectroscopy (XPS). Its valence band consists mainly of the oxygen 2p-states hybridized with the Fe 3d-states. The XPS spectra are investigated by the first principles full potential linearized augmented plane wave method. The angular momentum projected total and partial density of states obtained from first principles calculation are used to analyze the XPS results of the sample. The calculated electronic structures of SFS are qualitatively similar to those of the XPS spectra in terms of spectral features, energy positions, and relative intensities. The electronic structure calculation reveals that the electrical properties of SFS are dominated by the interaction between transition-metal and oxygen ions.« less
  • La-doped Sr{sub 2}CoWO{sub 6} double perovskites have been prepared in air in polycrystalline form by solid-state reaction. These materials have been studied by X-ray powder diffraction (XRPD), neutron powder diffraction (NPD) and magnetic susceptibility. The structural refinement was performed from combined XRPD and NPD data (D2B instrument, {lambda}=1.594 A). At room temperature, the replacement of Sr{sup 2+} by La{sup 3+} induces a change of the tetragonal structure, space group I4/m of the undoped Sr{sub 2}CoWO{sub 6} into the distorted monoclinic crystal structure, space group P2{sub 1}/n, Z=2. The structure of La-doped phases contains alternating CoO{sub 6} and (Co/W)O{sub 6} octahedra,more » almost fully ordered. On the other hand, the replacement of Sr{sup 2+} by La{sup 3+} induces a partial replacement of W{sup 6+} by Co{sup 2+} into the B sites, i.e. Sr{sub 2-x}La{sub x}CoW{sub 1-y}Co{sub y}O{sub 6} (y=x/4) with segregation of SrWO{sub 4}. Magnetic and neutron diffraction measurements indicate an antiferromagnetic ordering below T{sub N}=24 K independently of the La-substitution. - Graphical abstract: La-doped Sr{sub 2}CoWO{sub 6} double perovskites have been prepared in polycrystalline form by solid-state reaction. The general formula of these compounds is Sr{sub 2-x}La{sub x}CoW{sub 1-y}Co{sub y}O{sub 6} (y=x/4). XRPD, NPD and magnetic susceptibility studies were performed. The structure of monoclinic La-doped phases contains alternating CoO{sub 6} and (Co/W)O{sub 6} octahedra, almost fully ordered. NPD and magnetic measurements indicate an antiferromagnetic ordering at low temperature.« less
  • The evolution of the crystal structure of the double perovskite Sr{sub 2}YTaO{sub 6} from room temperature to 1250 {sup o}C has been studied using powder neutron and synchrotron X-ray diffraction. At room temperature Sr{sub 2}YTaO{sub 6} crystallises in a monoclinic superstructure with the space group P2{sub 1}/n. The tilting of the octahedra evident in the room temperature structure is progressively lost on heating, resulting in a sequence of phase transitions that ultimately yields the cubic structure in space group Fm3m. The high temperature tetragonal and cubic phases are characterised by strongly anisotropic displacements of the anions. The amount of defectsmore » in the crystal structure of Sr{sub 2}YTaO{sub 6} is found to be sensitive to the preparative method. - Graphical abstract: Sr{sub 2}YTaO{sub 6} undergoes a sequence of phase transitions upon heating associated with the removal of the tilting of the octahedral. The number of defects in the structure is sensitive to the preparative conditions.« less
  • A novel Mo{sup 5+} double perovskite, Sr{sub 2}ScMoO{sub 6}, has been synthesised. This material crystallises in the tetragonal I4/m symmetry space group and considerable cation disorder between Sc{sup 3+} and Mo{sup 5+} is observed. Magnetic susceptibility measurements show no evidence of a magnetic transition down to 6 K and no evidence of the valence bond glass state previously reported for A{sub 2}YMoO{sub 6} (A=Ba, Sr). The inverse susceptibility data cannot be fit to the Curie–Weiss law at any temperature range between 6 and 300 K. This deviation from Curie–Weiss law suggests that strong antiferromagnetic correlations are still present in Sr{submore » 2}ScMoO{sub 6}. - Graphical abstract: A novel double perovskite Sr{sub 2}ScMoO{sub 6} has been synthesised which has corner sharing MoO{sub 6} and ScO{sub 6} octahedra. The Sr{sup 2+} cations reside in the cavities and exhibit anisotropic thermal motion. There is no evidence of magnetic order down to 6 K. - Highlights: • The novel perovskite Sr{sub 2}ScMoO{sub 6} has been synthesised. • Disorder of the Mo{sup 5+} and Sc{sup 3+} cations is observed. • There is no evidence of a magnetic transition down to 6 K. • There is likely frustrated short range magnetic order or spin liquid behaviour.« less