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Sample records for sr ba zn

  1. AC Susceptibilities in Zn Doped (Bi,Pb)(Sr,Ba):2223 Superconductor

    NASA Astrophysics Data System (ADS)

    Pop, V.

    AC susceptibility measurements as a function of temperature and amplitude of alternative magnetic field have been carried out on the samples (Bi,Pb)(Sr,Ba):2223 with Cu substituted by Zn at a concentration of x = 0.00, 0.02 and 0.05. The decrease of intergrain and intragrain critical temperatures with increasing x is in agreement with the increase of the residual resistivity. Using Muller critical state model and the linear dependence of Tp for the maximum of imaginary χ''(T) peak, as a function of AC field amplitude, the intergranular pining force density was obtained. The intergrain properties are more influenced than the intragrain ones.

  2. Negative Thermal Expansion in Ba0.5Sr0.5Zn2SiGeO7

    PubMed Central

    Thieme, Christian; Rüssel, Christian

    2016-01-01

    Solid solutions with the composition Ba0.5Sr0.5Zn2Si2-xGexO7 and BaZn2Si2-xGexO7 were prepared with different values of x using a conventional mixed oxide route. Both compounds exhibit very different thermal expansion, which is due to the different crystal structures. Ba0.5Sr0.5Zn2Si2-xGexO7 solid solutions exhibit the structure of high-temperature BaZn2Si2O7 and show negative thermal expansion, which was proven via high-temperature X-ray diffraction. Up to around x = 1, the crystal structure remains the same. Above this value, the low-temperature phase becomes stable. The Sr-free solid solutions have the crystal structure of low-temperature BaZn2Si2O7 and show also a limited solubility of Ge. These Sr-free compositions show transitions of low- to high-temperature phases, which are shifted to higher temperatures with increasing Ge-concentration. PMID:28773746

  3. Very high or close to zero thermal expansion by the variation of the Sr/Ba ratio in Ba(1-x)Sr(x)Zn2Si2O7- solid solutions.

    PubMed

    Thieme, Christian; Rüssel, Christian

    2016-03-21

    The compound BaZn2Si2O7 shows a highly positive coefficient of thermal expansion. At a temperature of 280 °C, it transforms to a high temperature phase, which exhibits a coefficient of thermal expansion near zero. The partial replacement of Ba(2+) against Sr(2+) leads to a decrease of the phase transition temperature. If more than 10% of Ba(2+) are replaced by Sr(2+), the high-temperature phase is completely stable at room temperature and consequently, the thermal expansion is near zero or negative. The effect of the Sr(2+)/Ba(2+)-ratio on the phase transition temperature and the thermal expansion behavior is measured using high-temperature X-ray diffraction up to 1000 °C. The Sr(2+)/Ba(2+)-ratio strongly affects the overall thermal expansion as well as the anisotropy. The latter increases with decreasing Sr-concentration. The strong differences in the thermal expansion behavior between phases with the structure of the low-temperature phase and the high-temperature phase of BaZn2Si2O7 can be explained by a comparison of the ZnO4-chains inside these two crystal structures.

  4. Magnetoelectric memory effect in the Y-type hexaferrite BaSrZnMgFe12O22

    NASA Astrophysics Data System (ADS)

    Wang, Fen; Shen, Shi-Peng; Sun, Young

    2016-08-01

    We report on the magnetic and magnetoelectric properties of the Y-type hexaferrite BaSrZnMgFe12O22, which undergoes transitions from a collinear ferrimagnetic phase to a proper screw phase at 310 K and to a longitudinal conical phase at 45 K. Magnetic and electric measurements revealed that the magnetic structure with spiral spin order can be modified by applying a magnetic field, resulting in magnetically controllable electric polarization.It was observed that BaSrZnMgFe12O22 exhibits an anomalous magnetoelectric memory effect: the ferroelectric state can be partially recovered from the paraelectric phase with collinear spin structure by reducing magnetic field at 20 K. We ascribe this memory effect to the pinning of multiferroic domain walls, where spin chirality and structure are preserved even in the nonpolar collinear spin state. Project supported by the National Natural Science Foundation of China (Grant Nos. 11534015 and 51371193).

  5. High-pressure modifications of CaZn{sub 2}, SrZn{sub 2}, SrAl{sub 2}, and BaAl{sub 2}: Implications for Laves phase structural trends

    SciTech Connect

    Kal, Subhadeep; Stoyanov, Emil; Belieres, Jean-Philippe; Groy, Thomas L.; Norrestam, Rolf; Haeussermann, Ulrich

    2008-11-15

    High-pressure forms of intermetallic compounds with the composition CaZn{sub 2}, SrZn{sub 2}, SrAl{sub 2}, and BaAl{sub 2} were synthesized from CeCu{sub 2}-type precursors (CaZn{sub 2}, SrZn{sub 2}, SrAl{sub 2}) and Ba{sub 21}Al{sub 40} by multi-anvil techniques and investigated by X-ray powder diffraction (SrAl{sub 2} and BaAl{sub 2}), X-ray single-crystal diffraction (CaZn{sub 2}), and electron microscopy (SrZn{sub 2}). Their structures correspond to that of Laves phases. Whereas the dialuminides crystallize in the cubic MgCu{sub 2} (C15) structure, the dizincides adopt the hexagonal MgZn{sub 2} (C14) structure. This trend is in agreement with the structural relationship displayed by sp bonded Laves phase systems at ambient conditions. - Graphical abstract: CeCu{sub 2}-type polar intermetallics can be transformed to Laves phases upon simultaneous application of pressure and temperature. The observed structures are controlled by the valence electron concentration.

  6. Preparation and magnetic properties of Ba-Co2Z and Sr-Zn2Y ferrites

    NASA Astrophysics Data System (ADS)

    Chen, In-Gann; Hsu, Shu-Hau; Chang, Y. H.

    2000-05-01

    We have prepared Ba-Co2Z and Sr-Zn2Y ferrites by mixing SrCO3 (BaCO3), Co2O3 (ZnO), and Fe2O3 and calcinating in air and O2. The effects of sintering atmosphere (O2 and Ar) and sintering temperatures (1373-1573 K) on the structural, magnetic, and electrical properties have been measured. The Ba-Co2Z sample sintered at 1573 K under a flowing O2 exhibits superior dc electrical resistivity (˜108Ω-cm), high initial permeability (u'˜21), and low loss factor (F˜1.6×10-3) at 20 MHz. The related XRD and SEM/EDS analyses of these samples have also been studied to correlate these properties. These results indicate that significant modification of magnetic properties up to 20 MHz can be achieved with the addition of the quaternary component and proper control of the processing oxygen atmosphere.

  7. A{sub 2}Zn{sub 3}As{sub 2}O{sub 2} (A Ba, Sr): A rare example of square planar zinc

    SciTech Connect

    Brock, S.L.; Kauzlarich, S.M.

    1994-05-25

    The synthesis and structural characterization of Ba{sub 3}Zn{sub 3}As{sub 2}O{sub 2} and Sr{sub 3}Zn{sub 3}As{sub 2}O{sub 2} is reported. These compounds are novel in that they are the first compounds without Mn that crystallize in the ThCr{sub 2}Si{sub 2} structure type. In addition, Zn is in a rare square planar oxygen coordination mode.

  8. Ba(1-x)Sr(x)Zn2Si2O7--A new family of materials with negative and very high thermal expansion.

    PubMed

    Thieme, Christian; Görls, Helmar; Rüssel, Christian

    2015-12-15

    The compound BaZn2Si2O7 shows a high coefficient of thermal expansion up to a temperature of 280 °C, then a transition to a high temperature phase is observed. This high temperature phase exhibits negative thermal expansion. If Ba(2+) is successively replaced by Sr(2+), a new phase with a structure, similar to that of the high temperature phase of BaZn2Si2O7, forms. At the composition Ba0.8Sr0.2Zn2Si2O7, this new phase is completely stabilized. The crystal structure was determined with single crystal X-ray diffraction using the composition Ba0.6Sr0.4Zn2Si2O7, which crystallizes in the orthorhombic space group Cmcm. The negative thermal expansion is a result of motions and distortions inside the crystal lattice, especially inside the chains of ZnO4 tetrahedra. Dilatometry and high temperature X-ray powder diffraction were used to verify the negative thermal expansion. Coefficients of thermal expansion partially smaller than -10·10(-6) K(-1) were measured.

  9. Structural and Optoelectronic Properties of X3ZN (X = Ca, Sr, Ba; Z = As, Sb, Bi) Anti-Perovskite Compounds

    NASA Astrophysics Data System (ADS)

    Ullah, Imran; Murtaza, G.; Khenata, R.; Mahmood, Asif; Muzzamil, M.; Amin, N.; Saleh, M.

    2016-06-01

    We employed first-principles calculations to predict the structural and optoelectronic properties of X3ZN (X = Ca, Sr, Ba; Z = As, Sb, Bi) anti-perovskite compounds using an all-electron full-potential linearized augmented plane-wave method. Optimized structural parameters are found to be in good agreement with the available experimental measurements. The electronic band structure is calculated using different exchange-correlation potentials which reveal that the investigated compounds are narrow direct band gap semiconductors. A direct narrow band gap at the center of the Brillouin zone emphasises the optical activity of these compounds. Prediction of the optical properties, such as the real and imaginary parts of the dielectric function and refractive index along with reflectivity and optical conductivity, reveals the importance of these compounds in the visible and near UV optoelectronic devices industry.

  10. Lattice modulation induced by magnetic order in the magnetoelectric helimagnet Ba0.5Sr1.5Zn2Fe12O22

    NASA Astrophysics Data System (ADS)

    Asaka, T.; Yu, X. Z.; Hiraoka, Y.; Kimoto, K.; Hirayama, T.; Kimura, T.; Matsui, Y.

    2011-04-01

    By means of an electron diffraction technique, crystal-lattice modulations were investigated for a hexaferrite, Ba0.5Sr1.5Zn2Fe12O22, showing a helimagnetic order below TN=320 K. We observed a lattice modulation with a wave vector Q=(0,0,3δ) below TN. The value of δ varies between ~0.23 and 0.5 as a function of temperature and corresponds well to that of the magnetic modulation vector. By applying magnetic fields, Ba0.5Sr1.5Zn2Fe12O22 was found to exhibit successive changes in the lattice modulation, accompanied by the modifications of the helical magnetic order. We concluded that the observed lattice modulation is induced by the helical magnetic order via exchange magnetostriction.

  11. Giant magnetoelastic effect in multiferroic Ba0.6Sr1.4Zn2Fe12O22

    NASA Astrophysics Data System (ADS)

    Talbayev, Diyar; Averitt, Richard D.; Taylor, Antoinette J.; Kimura, Tsuyoshi

    2007-03-01

    Dynamical studies of multiferroic materials help unravel the fundamental interactions between various degrees of freedom and answer technological questions such as achievable switching speeds in multiferroic-based memory elements. We report the results of the ultrafast optical study of multiferroic Ba0.6Sr1.4Zn2Fe12O22, which reveals a giant magnetoelastic effect in the material. The compound exhibits a hexagonal crystal structure and a helical magnetic ground state below ˜ 330 K. In applied magnetic field, the hexaferrite undergoes a series of magnetic phase transitions and develops ferroelectric polarization. The magnetoelastic effect is detected via the measurement of the speed of sound in the crystal as a function of magnetic field. The oscillation in the optically induced transient reflectivity resulting from the propagating coherent-phonon strain pulse allows us to measure the field-induced changes in the speed of sound and the corresponding dramatic changes in the elastic stiffness. The dependence of the exchange interaction on the distance between Fe ions gives rise to the observed magnetoelasticity. Our results indicate a route towards the magnetically modulated transducers and piezoelectric devices.

  12. Electrical and Optical Properties of Nanocrystalline A8ZnNb6O24 (A = Ba, Sr, Ca, Mg) Ceramics

    NASA Astrophysics Data System (ADS)

    John, Fergy; Thomas, Jijimon K.; Jacob, John; Solomon, Sam

    2017-08-01

    Nanoparticles of A8ZnNb6O24 (A = Ba, Sr, Ca, and Mg, abbreviated as BZN, SZN, CZN, and MZN) have been synthesized by an auto-igniting combustion technique and their structural and optical properties characterized. The phase purity, crystal structure, and particle size of the prepared nanopowders were examined by x-ray diffraction (XRD) analysis and transmission electron microscopy. The XRD results revealed that all the samples crystallized with hexagonal perovskite structure in space group P6 3 cm. The Fourier-transform infrared and Raman (FT-Raman) spectra of the samples were investigated in detail. The ultraviolet-visible (UV-Vis) absorption spectra of the samples were also recorded and their optical bandgap energy values calculated. The nanopowders synthesized by the combustion technique were sintered to 95% of theoretical density at temperature of 1250°C for 2 h. The surface morphology of the sintered pellets was studied by scanning electron microscopy. The photoluminescence spectra of the samples showed intense emission in the blue-green region. Complex impedance analysis was used to determine the grain and grain boundary effects on the dielectric behavior of the ceramics.

  13. 57Fe NMR study of the magnetoelectric hexaferrite Ba0.5Sr1.5Zn2Fe12O22 and Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22

    NASA Astrophysics Data System (ADS)

    Kwon, Sangil; Yoon, Dong Young; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon

    2013-08-01

    Magnetoelectric hexaferrite Ba0.5Sr1.5Zn2Fe12O22 (BSZFO) and Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22 (BSZFAO) were investigated by 57Fe nuclear magnetic resonance (NMR). The spin-canting angles of all NMR peaks were measured to assign each peak to corresponding Fe3+ sites. It was revealed that the spin-canting angle of Fe3+ ions at off-centered octahedra is fixed and Al3+ ions substitute for Fe3+ ions at those sites. The temperature dependence of the NMR frequency indicates that the low-temperature excitation is spin wave in ferromagnetic phase.

  14. Al doping effect on magnetic phase transitions of magnetoelectric hexaferrite Ba0.7Sr1.3Zn2(Fe1-xAlx)12O22

    NASA Astrophysics Data System (ADS)

    Chang, Hun; Lee, Hak Bong; Song, Young-Sang; Chung, Jae-Ho; Kim, S. A.; Oh, I. H.; Reehuis, M.; Schefer, J.

    2012-02-01

    We investigated the effect of Al doping in magnetic properties of the Y-type hexaferrite Ba0.7Sr1.3Zn2(Fe1-xAlx)12O22 (0≤x≤0.12), which exhibit field-induced magnetoelectric polarization. We find that Al doping increases the pitch of a spin helix and enhances c-axis magnetization, stabilizing longitudinal conical phases. These conical phases eventually collapse at x≥ 0.10. These results suggest that competitions between easy-axis and easy-plane anisotropy fields play a key role in generating stable magnetoelectric polarization in Y-type hexaferrites.

  15. Effect of Mg(2+), Ca(2+), Sr(2+) and Ba(2+) metal ions on the antifungal activity of ZnO nanoparticles tested against Candida albicans.

    PubMed

    Haja Hameed, Abdulrahman Syedahamed; Karthikeyan, Chandrasekaran; Senthil Kumar, Venugopal; Kumaresan, Subramanian; Sasikumar, Seemaisamy

    2015-01-01

    The antifungal ability of pure and alkaline metal ion (Mg(2+), Ca(2+), Sr(2+) and Ba(2+)) doped ZnO nanoparticles (NPs) prepared by the co-precipitation method was tested against the pathogenic yeast, Candida albicans (C. albicans), and the results showed that the Mg-doped ZnO NPs possessed greater effect than the other alkaline metal ion doped ZnO NPs. The impact of the concentration of Mg doped ZnO sample on the growth of C. albicans was also studied. The Minimal Fungicidal Concentration (MFC) of the Mg doped ZnO NPs was found to be 2000 μg/ml for which the growth of C. albicans was completely inhibited. The ZnO:Mg sample (1.5mg/ml) with various concentrations of histidine reduced the fungicidal effect of the nanoparticles against C. albicans, which was deliberately explained by the role of ROS. The ZnO:Mg sample added with 5mM of histidine scavenged the ample amount of generated ROS effectively. The binding of the NPs with fungi was observed by their FESEM images and their electrostatic attraction is confirmed by the zeta potential measurement.

  16. Synthesis of new brownmillerite-type systems A2(M2+,M4+,)2O5 (A = Ba, Sr, Ca; M2+ = Zn, Mg, Cd, Be; M4+, = Zr, Ce, Ti, Hf)

    NASA Astrophysics Data System (ADS)

    Ito, Shigeharu; Watanabe, Masayuki; Saito, Miwa; Yamamura, Hiroshi

    2011-06-01

    The A2(M,M')2O5 systems (A=Ba, Sr, Ca; M2+=Zn, Mg, Cd, Be; M4+'=Zr, Ce, Ti. Hf, Sn) having a brownmillerite-type compositions were prepared by a solid state reaction. X-ray diffraction analyses confirmed that only the combinations of (Ba-Zn-Zr), (Ba-Zr-Ce), (Ba-Zn-Hf), (Sr-Zn-Zr), (Sr-Zn-Ti) and (Sr-Zn-Hf) for the A-M2+-M4+' in the present systems showed single phases of cubic or orthorhombic perovskite-type structures at room temperature. When the average ionic radii of B site increased, the lattice constants and lattice volumes also increased. Although the samples have the brownmillerite composition, the obtained samples showed perovskite-type structure. The tolerance factor of single phased samples having the brownmillerite composition were estimated to be in the range of 0.9428 ~ 1.0061. It was found that the electrical comductivities of the new phases increased with increasing unit cell free volume.

  17. High-resolution of trace elements (Mg, U, Sr, Ba and Zn) in speleothems as Holocene palaeoclimatic proxies: Père Noël cave, Belgium

    NASA Astrophysics Data System (ADS)

    Allan, Mohammed; Verheyden, Sophie; Riotte, Jean; Ghaleb, Bassam; Chmeleff, Jerome; fagel, Nathalie

    2013-04-01

    Speleothems are now regarded as valuable archives of climatic conditions on the continents, offering the advantages of absolute U-series dating relative to other continental climate proxy recorders such as lake sediments and peat cores. High spatial resolution measurements of Mg, U, Sr, Ba and Zn were realized by laser-ablation inductively coupled plasma mass spectrometry in the Belgian Père Noël cave Holocene stalagmite (Verheyden et al., 2000, 2008). The stalagmite of 65 cm long was deposited from ~12000 years to ~2000 years dated by U/Th method. Mg, Sr, Ba, U, and Zn are known as indicators for hydrological conditions (e.g. Ayalon et al., 1999; Fairchild et al., 2000). Mg, Sr, Ba concentrations are positively correlated (r> 0.7) with similar changes in the δ 13C implying similar processes influence their concentration changes. U has an inverse relationship with δ 13C. The study suggests that trace elements in the Père Noël stalagmite have the potential to provide high resolution insights into variability in water recharge during the Holocene. References Ayalon A., Bar-Matthews M. and Kaufman A., 1999. Petrography, strontium, barium and uranium concentrations, and strontium and uranium isotope ratios in speleothems as palaeoclimatic proxies: Soreq cave, Israel. The Holocene 9 (6), 715-722. Fairchild I.J., Borsato A., Tooth A.F.,Frisia S., Hawkesworth C.J., Huang Y., Mcdermott F. and Spiro B., 2000. Controls on trace element (Sr-Mg) compositions of carbonate cave waters: implications for speleothem climatic records. Chemical Geology 166, 255-269. Verheyden S., Keppens E. , Fairchild I.J., Mc Dermott F. and D. Weis, 2000. Sr isotope geochemistry of a Belgian Holocene speleothem: implications for paleoclimate reconstructions. Chemical Geology, 169: 131 144. Verheyden S., Genty D., Deflandre G., Quinif Y. and Keppens E., 2008. Monitoring climatological, hydrological and geochemical parameters in the Père Noël cave (Belgium): Implication for the interpretation

  18. Thermal Expansion of Sintered Glass Ceramics in the System BaO-SrO-ZnO-SiO2 and Its Dependence on Particle Size.

    PubMed

    Thieme, Christian; Schlesier, Martin; Bocker, Christian; Buzatto de Souza, Gabriel; Rüssel, Christian

    2016-08-10

    The thermal expansion behavior of sintered glass-ceramics containing high concentrations of Ba1-xSrxZn2Si2O7, a phase with very low and highly anisotropic thermal expansion behavior, was investigated. The observed phase has the crystal structure of the high-temperature phase of BaZn2Si2O7, which can be stabilized by the introduction of Sr(2+) into this phase. The high anisotropy leads to microcracking within the volume of the samples, which strongly affects the dilatometric thermal expansion. However, these cracks also have an influence on the nominal thermal expansion of the as-mentioned phase, which decreases if the cracks appear. Below a grain size of approximately 80 μm, the sintered glass-ceramics have almost no cracks and show positive thermal expansion. Hence, coefficients of thermal expansion between -5.6 and 6.5 × 10(-6) K(-1) were measured. In addition to dilatometric studies, the effect of the microstructure on the thermal expansion was also measured using in situ X-ray diffraction at temperatures up to 1000 °C.

  19. Commensurate and Incommensurate Phases in the System A4A'Ir 2O 9( A=Sr, Ba; A'=Cu, Zn)

    NASA Astrophysics Data System (ADS)

    Battle, Peter D.; Blake, Graeme R.; Sloan, Jeremy; Vente, Jaap F.

    1998-02-01

    The crystal structure of Sr 4CuIr 2O 9is very sensitive to the conditions of synthesis. Prolonged heating of a commensurate trigonal sample prepared at 1120°C leads to the adoption of an incommensurate structure which can be regarded as a composite of two substructures having common unit cell parameters aand bbut different parameters c1and c2. No detectable change in chemical composition accompanies the structural transition, nor do the magnetic properties of the sample change significantly. The structure of the commensurate form has been determined from neutron powder diffraction data collected at 4.5 K (space group P321, a=9.68540(3) Å, c=8.04726(6) Å). Ir 2O 9octahedral dimers and CuO 6trigonal prisms alternate in chains parallel to z, with the Sr cations located between the chains; the Cu 2+cations are disordered within the prisms. The incommensurate form has been studied by X-ray diffraction and electron microscopy ( a=9.7020(6) Å, c1=4.0069(5) Å, c2=2.6993(4) Å). The relationship between the commensurate and incommensurate unit cells is discussed ( c˜2 c1˜3 c2). No commensurate Ba 4A'Ir 2O 9phases could be prepared, but incommensurate samples having A'=Cu, Zn showed behavior similar to that of Sr 4CuIr 2O 9.

  20. Mineralogy and fluid inclusions study of carbonate-hosted Mississippi valley-type Ain Allega Pb-Zn-Sr-Ba ore deposit, Northern Tunisia

    NASA Astrophysics Data System (ADS)

    Abidi, R.; Slim-Shimi, N.; Somarin, A.; Henchiri, M.

    2010-05-01

    The Ain Allega Pb-Zn-Sr-Ba ore deposit is located in the flysch zone on the Eastern edge of the Triassic diapir of Jebel Hamra. It is part of the extrusive Triassic evaporate formation along the Ghardimaou-Cape Serrat faults. The ore body consists of argilic-dolomite breccias surrounded by argilo-gypsum Triassic formation, which forms the hanging wall of the deposit, and rimmed by the Paleocene marls. The ore minerals show a cap-rock type mineralization with different styles particularly impregnation in dolomite, cement of breccias, replacement ore and open space filling in the dissolution cavities and fractures. Ore minerals include sphalerite, galena, marcasite and pyrite. Principal gangue minerals are composed of barite, celestite, calcite, dolomite and quartz. The ore minerals are hosted by the Triassic carbonate rocks which show hydrothermal alteration, dissolution and brecciation. X-ray - crystallographic study of barite-celestite mineral series shows that pure barite and celestite are the abundant species, whereas strontianiferous barite (85-96.5% BaSO 4) and barian-celestite (95% SrSO 4) are minor. Primary and secondary mono-phase (liquid only) fluid inclusions are common in celestite. Microthermometric analyses in two-phases (liquid and vapour) fluid inclusions suggest that gangue and ore minerals were precipitated by a low-temperature (180 °C) saline (16.37 wt.% NaCl equivalent) solution originated possibly from a basinal brine with some input from magmatic or metamorphic fluid. Based on geology, mineralogy, texture and fluid characteristics, the Ain Allega deposit is classified as a carbonate-hosted Mississippi valley-type deposit.

  1. Magnetic comparison of BaCa and BaSr substituted hexaferrite powders

    NASA Astrophysics Data System (ADS)

    González-Angeles, A.; Lipka, J.; Grusková, A.; Sláma, J.; Jančárik, V.; Slugeň, V.

    2010-03-01

    Results on magnetic studies of Ba0.5Sr0.5Fe12-2x(ZnTi)xO19 and Ba0.75Ca0.25Fe12-2x(ZnTi)xO19, where x = 0.2 to 0.6, ferromagnetic powders prepared by mechanical alloying are discussed. The structural and magnetic properties of the resulting powders were analyzed by thermo-magnetic analysis, X-ray diffraction, scanning electron microscopy, Mössbauer spectroscopy and magnetic measurements. Curie temperature, Tc decreased dramatically (drop ~ 39%) for BaCa samples, whilst for BaSr samples remained almost without change (diminution ~ 2%) at x <= 0.2. SEM studies showed that all the particles present nearly hexagonal platelet shape.

  2. B-site ordered double perovskite LaBa1-xSrxZnSbO6 (0 ≤ x ≤ 1): Sr(2+)-doping-induced symmetry evolution and structure-luminescence correlations.

    PubMed

    Jiang, Pengfei; Zhou, Zhengyang; Gao, Wenliang; Cong, Rihong; Yang, Tao

    2016-03-07

    The study of perovskites has been active for a long time. Here, we rationally designed and prepared a double perovskite, LaBaZnSbO6, by selecting Zn(2+) and Sb(5+) with large size and charge differences, and, indeed, complete B-site ordering can be achieved. Careful study using powder X-ray diffraction data pinpointed its space group to be I2/m, which has rarely been seen in double perovskites. Thereafter, an interesting observation of Sr(2+)-doping-induced symmetry evolution from I2/m to P21/n was confirmed in the complete solid solutions LaBa1-xSrxZnSbO6, where the tilting system also transferred from a(-)a(-)c(0) to a(-)a(-)c(+). The transition boundary is around x = 0.4. It can also be visualized by the variation of θ (defined as c/[(a + b)/2]), which is associated with the anisotropic shrinkage of the unit cell lattice and indeed shows a minimum at x = 0.4. Such a successive modulation of both the structural symmetry and the average La/Ba/Sr-O bond distances (revealed by Rietveld refinements) motivated us to study the Eu(3+) luminescence in La0.95Eu0.05Ba1-xSrxZnSbO6. Interestingly, the maximum of charge transfer absorption of Eu(3+) shows a precise changing tendency with the A-O bond distances along with the Sr(2+) doping, clearly revealing the structure-luminescence correlations.

  3. Spin-state transition of iron in (Ba0.5Sr0.5)(Fe0.8Zn0.2)O perovskite

    NASA Astrophysics Data System (ADS)

    Feldhoff, Armin; Martynczuk, Julia; Arnold, Mirko; Myndyk, Maxym; Bergmann, Ingo; Šepelák, Vladimir; Gruner, Wolfgang; Vogt, Ulrich; Hähnel, Angelika; Woltersdorf, Jörg

    2009-11-01

    The redox behavior of iron during heating of a high-performance perovskite for ceramic oxygen separation membranes was studied by combined electron energy-loss (EELS, esp. ELNES) and Mössbauer spectroscopical in situ methods. At room temperature, the iron in (Ba0.5Sr0.5)(Fe0.8Zn0.2)O (BSFZ) is in a mixed valence state of 75% Fe in the high-spin state and 25% Fe predominantly in the low-spin state. When heated to 900C, a slight reduction of iron is observed that increases the quantity of Fe species. However, the dominant occurrence is a gradual transition in the spin-state of trivalent iron from a mixed low-spin/high-spin to a pure high-spin configuration. In addition, a remarkable amount of hybridization is found in the Fe-O bonds that are highly polar rather than purely ionic. The coupled valence/spin-state transition correlates with anomalies in thermogravimetry and thermal expansion behavior observed by X-ray diffraction and dilatometry, respectively. Since the effective cationic radii depend not only on the valence but also on the spin-state, both have to be considered when estimating under which conditions a cubic perovskite will tolerate specific cations. It is concluded that an excellent phase stability of perovskite-based membrane materials demands a tailoring, which enables pure high-spin states under operational conditions, even if mixed valence states are present. The low spin-state transition temperature of BSFZ provides that all iron species are in a pure high-spin configuration already above ca. 500C making this ceramic highly attractive for intermediate temperature applications ( 500-800C).

  4. Sub-seasonally resolved δ18O, δ13C, Mg, Sr, Ba, U and Zn records from a Belgian spleothem covering the last 700 years

    NASA Astrophysics Data System (ADS)

    Van Rampelbergh, M.; Verheyden, S.; Cheng, H.; Edwards, R.; Keppens, E.; Claeys, P. F.

    2013-12-01

    Every cave system is unique and every stalagmite has its own behavior. Therefore, when using stalagmites for paleoclimate reconstructions at high-resolution, a good understanding of what the measured proxies are reflecting is required. Generally such information is obtained by cave monitoring and/or by comparing the measured records with other paleoclimate records in the region. A stalagmite from the Han-sur-Lesse cave (Belgium) displays an extremely high growth rate (1mm/y) and annual lamination over the last 700 years allowing the comparison of the measured proxy values with the instrumental record and leading to a robust understanding of their climate transfer functions. The age model is established by layer counting and agrees well with 4 U/Th-ages and one 14C-age, confirming the seasonal character of the layering. A one-year cave monitoring with a two-week cave-visiting frequency monitored the recording of the different proxy signals in the modern calcite and their relationships to the outside cave conditions. Sub-seasonal δ18O and δ13C measurements (3 samples a layer) were carried out on the upper 50 years. The remaining 650 years were sampled for isotopes on a seasonal scale by drilling one sample per layer. LA-ICP-MS measurements for Mg, Sr, Ba, U and Zn concentrations were line tracked on the upper 50 years and are compared with the sub-seasonally resolved isotope records. Cave monitoring results show that the δ18O and δ13C values of fresh glass-slab calcite increase from November to April when the cave temperatures decrease and the drip rate increase. Results from the sub-seasonal isotope sampling show that the δ18O and δ13C values increase within the white more porous layers and decrease in the dark more compact layers. Consequently, white layers are formed during wetter and colder periods while dark layers reflect drier and warmer conditions. Further comparison of the sub-seasonal isotope and trace elemental records with instrumental data will

  5. Structural and luminescence studies of Eu3+: TeO2sbnd B2O3sbnd AOsbnd AF2 (A = Pb, Ba, Zn, Cd, Sr) glasses

    NASA Astrophysics Data System (ADS)

    Selvi, S.; Marimuthu, K.; Muralidharan, G.

    2017-09-01

    Eu3+ doped oxyfluoro boro-tellurite (TBXFE) with molar composition 29 TeO2sbnd 30B2O3sbnd 20AOsbnd 20AF2sbnd 1Eu2O3 (where A = Pb, Ba, Zn, Cd, Sr) glasses were prepared and investigated by XRD, FTIR, UV-Vis-NIR, luminescence and decay measurements. XRD patterns confirm the glassy nature of the prepared glasses. The influence of metal ions on the structure of boro-tellurite glasses were investigated through FTIR spectra. The intra band (4f-4f) transitions of Eu3+ ions are discussed through UV-Vis-NIR absorption spectra. The covalent nature around the Eu3+ ions with ligands are discussed using the bonding parameter (δ) and nephelauxetic ratio (β). The fundamental absorption edge, direct, indirect band gap, Urbach energy and band tailing parameters are reported. A bright red emission at 616 nm corresponding to the 5D0 → 7F2 transition of Eu3+ ions could be observed in the title glasses. Judd-Ofelt parameters were estimated from the emission spectra of Eu3+ ions. The dependence of these parameters on the composition of the glass is discussed. Judd-Ofelt parameters were used to derive the radiative parameters such as transition probabilities (A, s-1), branching ratios (βR), radiative lifetime (τrad) and stimulated emission cross-section (σPE) for the 5D0 → 7FJ (J = 0, 1, 2, 3 and 4) transitions. The luminescence intensity ratio (LIR) of 5D0 → 7F2/5D0 → 7F1 transitions was estimated to analyze the local site symmetry around the Eu3+ ions in the present glasses. The chromaticity coordinates and colour purity were calculated from the emission spectra and analyzed with Commission International de I'Eclairage (CIE) 1931 diagram. The experimental lifetime of 5D0 level could be fitted to a single exponential indicating the absence of energy transfer between the Eu3+ ions in the present glasses.

  6. Electronic structure of Ca, Sr, and Ba under pressure.

    NASA Technical Reports Server (NTRS)

    Animalu, A. O. E.; Heine, V.; Vasvari, B.

    1967-01-01

    Electronic band structure calculations phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure

  7. Proton uptake in the H(+)-SOFC cathode material Ba(0.5)Sr(0.5)Fe(0.8)Zn(0.2)O(3-δ): transition from hydration to hydrogenation with increasing oxygen partial pressure.

    PubMed

    Poetzsch, Daniel; Merkle, Rotraut; Maier, Joachim

    2015-01-01

    Thermogravimetric investigations on the perovskite Ba(0.5)Sr(0.5)Fe(0.8)Zn(0.2)O(3-δ) (BSFZ, with mixed hole, oxygen vacancy and proton conductivity) from water vapor can occur by acid-base reaction (hydration) or redox reaction (hydrogen uptake), depending on the oxygen partial pressure, i.e. on the material's defect concentrations. In parallel, the effective diffusion coefficient of the stoichiometry relaxation kinetics also changes. These striking observations can be rationalized in terms of a defect chemical model and transport equations for materials with three mobile carriers. Implications for the search of cathode materials with mixed electronic and protonic conductivity for application on proton conducting oxide electrolytes are discussed.

  8. Magnetic Origin of Giant Magnetoelectricity in Doped Y-type Hexaferrite Ba0.5Sr1.5Zn2(Fe1 -xAlx)12O22

    NASA Astrophysics Data System (ADS)

    Noh, Woo-Suk; Ko, Kyung-Tae; Chun, Sae Hwan; Kim, Kee Hoon; Park, Byeong-Gyu; Kim, Jae-Young; Park, Jae-Hoon

    2015-03-01

    We investigated site-specific magnetic behaviors of multiferroic Ba0.5Sr1.5Zn2(Fe1 -xAlx)12O22 using Fe L2 ,3-edge x-ray magnetic circular dichroism. The Al dopants mostly replace the Fe3 + ions at octahedral (Oh) sites, which contribute unquenched angular momenta through off-centering displacements. This replacement greatly reduces the magnetic anisotropy energy to change the magnetic order from a helical to a heliconical type with enhanced magnetoelectric susceptibility (αME). The tetrahedral (Td) Fe sites exhibit magnetic hysteresis distinguishable from that of the Oh sites, especially at low magnetic fields. These results provide essential clues for the heliconical order with a giant αME and multibit memory effects in the Al-doped Y-type hexaferrite.

  9. Magnetic field reversal of electric polarization and magnetoelectric phase diagram of the hexaferrite Ba1.3Sr0.7Co0.9Zn1.1Fe10.8Al1.2O22

    NASA Astrophysics Data System (ADS)

    Shen, Shipeng; Yan, Liqin; Chai, Yisheng; Cong, Junzhuang; Sun, Young

    2014-01-01

    Low magnetic field reversal of electric polarization has been demonstrated in the multiferroic Y-type hexaferrite Ba1.3Sr0.7Co0.9Zn1.1Fe10.8Al1.2O22 single crystal. The maximum magnetoelectric coefficient at 200 K reaches 1065 ps/m near zero magnetic field. By a systematic investigation of magnetic field dependence of magnetic and dielectric responses at various temperatures, we obtained the magnetoelectric phase diagram describing the detailed evolution of the spin-induced ferroelectric phases with temperature and magnetic field. Below 225 K, the transverse spin cone can be stabilized at zero magnetic field, which is responsible for the reversal behavior of electric polarization. Our study reveals how to eventually achieve magnetic field reversal of electric polarization in hexaferrites at room temperature.

  10. Field-induced incommensurate-to-commensurate phase transition in the magnetoelectric hexaferrite Ba0.5Sr1.5Zn2(Fe1-xAlx)12O22

    NASA Astrophysics Data System (ADS)

    Lee, Hak Bong; Song, Young-Sang; Chung, Jae-Ho; Chun, Sae Hwan; Chai, Yi Sheng; Kim, Kee Hoon; Reehuis, M.; Prokeš, K.; Mat'Aš, S.

    2011-04-01

    Using neutron diffraction, we investigated the spin structures of magnetoelectric hexaferrite, Ba0.5Sr1.5Zn2(Fe1-xAlx)12O22 (x=0.08) under a magnetic field (H⊥c). When the crystal was cooled in a zero field, longitudinal spin cones were observed at low temperatures. These incommensurate phases, however, were replaced by the commensurate phase [k1=(0,0,(3)/(2))] when the ferroelectricity was induced by an external field perpendicular to the c axis. Magnetic structure refinement confirms that this commensurate order is compatible with the spin-current polarization. We argue that planar magnetic anisotropy plays an important role in determining the magnetic structure that is responsible for its magnetoelectricity.

  11. The effect of field cooling on a spin-chiral domain structure in a magnetoelectric helimagnet Ba0.5Sr1.5Zn2Fe12O22

    NASA Astrophysics Data System (ADS)

    Hiraoka, Y.; Tanaka, Y.; Oura, M.; Wakabayashi, Y.; Kimura, T.

    2015-06-01

    Spin-chiral domain structures near a cleaved crystal face of a magnetoelectric helimagnet, Ba0.5Sr1.5Zn2Fe12O22, were examined after various magnetic and electric field-cooling procedures by means of the scanning resonant X-ray microdiffraction technique using circularly polarized X-rays. We have found that the application of a magnetic field (1-2 k Oe) during the field-cooling procedure stabilizes one of the handedness among the two spin-chiral states (left- or right-handed screw structure) and makes nearly a single spin-chiral domain in the vicinity of the cleaved crystal face. However, it makes the degree of the spin chirality spatially inhomogeneous even within a domain. We discuss the observed field-cooling effect in terms of possible formation of spin-chiral domains with "stripe-type" domain walls accompanied by randomly-distributed ferromagnetic islands.

  12. Magnetocaloric effect in multiferroic Y-type hexaferrite Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22

    NASA Astrophysics Data System (ADS)

    Xu, Wenfei; Yang, Jing; Shen, Yude; Bai, Wei; Zhang, Yuanyuan; Liu, Jia; Tang, Kai; Wang, Zhi; Duan, Chun-gang; Tang, Xiaodong; Chu, Junhao

    2014-06-01

    Magnetocaloric effect is investigated in multiferroic Ba0.5Sr1.5Zn2(Fe0.92Al0.08)12O22 ceramic with Y-type hexagonal system. Three magnetic transitions, from alternating longitudinal conical to mixed conical at ˜240 K, to ferrimagnetic at ˜297 K, further to paramagnetic at ˜702 K, are unambiguously determined. Furthermore, obvious MCE is shown, and the maximum values of the magnetic entropy change and relative cooling power are evaluated to be 1.53 JKg-1K-1 and 280 JKg-1 for a field change of 7 T, respectively. In addition, inverse MCE is also observed, which might be associated with the first-order magnetic phase transition between two incommensurate longitudinal conical phases.

  13. Effects of Al substitution and thermal annealing on magnetoelectric Ba0.5Sr1.5Zn2Fe12O22 investigated by the enhancement factor of 57Fe nuclear magnetic resonance.

    PubMed

    Kwon, Sangil; Kang, Byeongki; Kim, Changsoo; Jo, Euna; Lee, Soonchil; Chai, Yi Sheng; Chun, Sae Hwan; Kim, Kee Hoon

    2014-04-09

    The magnetoelectric properties of hexaferrite Ba0.5Sr1.5Zn2Fe12O22 are significantly improved by Al substitution and thermal annealing. Measuring the enhancement factor of 57Fe NMR, we found direct microscopic evidence that the magnetic moments of the L and S blocks are rotated by a magnetic field in such a way as to increase the net magnetic moment of a magnetic unit, even after the field is removed. Al substitution makes magnetoelectric property arise easily by suppressing the easy-plane anisotropy. The effect of thermal annealing is to stabilize the multiferroic state by reducing the number of pinning sites and the electron spin fluctuation. The transverse conic structure gradually changes to the alternating longitudinal conic structure where spins fluctuate more severely.

  14. Far-IR reflectance study on (Ba (1- x) Sr x)(Zn 1/3Ta 2/3)O 3 dielectric resonators as a function of tolerance factor

    NASA Astrophysics Data System (ADS)

    Venkatesh, J.; Subramanian, V.; Murthy, V. R. K.

    2000-12-01

    The aim of this work is to understand the effect of the tilting of octahedra on polar phonon modes of lattice vibration, which contributes a major part to the dielectric polarization in the crystal. The tolerance factor, which is a measure of the packing of ions in the perovskite unit cell, determines the tilting of oxygen octahedra in the perovskite materials. In this work we have discussed the variation of polar phonon frequencies with respect to the tolerance factor in the composition (Ba (1- x) Sr x)(Zn 1/3Ta 2/3)O 3 with x=0.0, 0.3, 0.5, 0.7, 1.0 . The dielectric properties measured at the microwave frequency range are also highlighted to support the ideas proposed in this paper.

  15. Magnetic origin of giant magnetoelectricity in doped Y-type hexaferrite Ba(0.5)Sr(1.5)Zn(2)(Fe(1-x)Al(x))(12)O(22).

    PubMed

    Noh, Woo-Suk; Ko, Kyung-Tae; Chun, Sae Hwan; Kim, Kee Hoon; Park, Byeong-Gyu; Kim, Jae-Young; Park, Jae-Hoon

    2015-03-20

    We investigated site-specific magnetic behaviors of multiferroic Ba(0.5)Sr(1.5)Zn(2)(Fe(1-x)Al(x))(12)O(22) using Fe L(2,3)-edge x-ray magnetic circular dichroism. The Al dopants mostly replace the Fe(3+) ions at octahedral (O(h)) sites, which contribute unquenched angular momenta through off-centering displacements. This replacement greatly reduces the magnetic anisotropy energy to change the magnetic order from a helical to a heliconical type with enhanced magnetoelectric susceptibility (α(ME)). The tetrahedral (T(d)) Fe sites exhibit magnetic hysteresis distinguishable from that of the O(h) sites, especially at low magnetic fields. These results provide essential clues for the heliconical order with a giant α(ME) and multibit memory effects in the Al-doped Y-type hexaferrite.

  16. Determination of labile species of As(V), Ba, Cd, Co, Cr(III), Cu, Mn, Ni, Pb, Sr, V(V), and Zn in natural waters using diffusive gradients in thin-film (DGT) devices modified with montmorillonite.

    PubMed

    Dos Anjos, Vanessa E; Abate, Gilberto; Grassi, Marco T

    2017-03-01

    A binding phase based on the clay mineral montmorillonite (MT) was used as a sorbent in this work, which employed diffusive gradients in thin-film (DGT) devices to determine the lability of trace elements in natural waters. Montmorillonite exhibits low cost, wide availability, ease of handling, high ion-exchange capacity, and reusability. As(V), Ba(2+), Cd(2+), Co(2+), Cr(III), Cu(2+), Mn(2+), Ni(2+), Pb(2+), Sr(2+), V(V), and Zn(2+) were quantitatively sorbed by MT and eluted with 1.0 mol L(-1) HNO3, which provided efficiency above 70% of recovery. Validation tests were performed with synthetic solutions. The recovery of known concentrations ranged from 83 to 110%. The performance of modified DGT was compared with conventional DGT devices in experiments lasting 6 and 48 h. The results obtained with both DGT devices showed no significant differences with 95% confidence. DGT samplers with MT were deployed in the determination of labile forms of the elements in water samples from Iguaçu River (Paraná, Brazil). The measured masses of elements in MT for various durations showed good fit to a theoretical line, indicating that the results agreed with the principle of the DGT technique. The concentrations of labile species in the sample proceeded as follows; Sr > Cd > Ba > Cu > Cr > Mn > Zn > Pb. The results suggest that DGT devices with MT are an effective alternative for speciation analysis of a wide range of elements (cations as well as anions) in natural waters.

  17. The van der Waals potentials of MgCa, MgSr, MgBa, CaSr, CaBa, and SrBa

    NASA Astrophysics Data System (ADS)

    Wei, L. M.; Li, P.; Tang, K. T.

    2015-08-01

    Based on the facts that the potential energy curves of the homo-nuclear group 2 dimers (group IIA metal), except Be2, are conformal, and they can be described by the Tang-Toennies potential model, a set of simple combining rules are proposed for the parameters of the reduced potentials of the hetero-nuclear dimers. Together with the well-established combining rules of the range parameters of the exponential repulsion and the known dispersion coefficients, these rules enable us to determine the ground state potential energy curves of MgCa, MgSr, MgBa, CaSr, CaBa, and SrBa from those of Mg2, Ca2, Sr2, and Ba2. The determined potentials are comparable to some ab initio calculations and in excellent agreement with the experiment.

  18. Cubic Re(6+) (5d(1)) Double Perovskites, Ba2MgReO6, Ba2ZnReO6, and Ba2Y2/3ReO6: Magnetism, Heat Capacity, μSR, and Neutron Scattering Studies and Comparison with Theory.

    PubMed

    Marjerrison, Casey A; Thompson, Corey M; Sala, Gabrielle; Maharaj, Dalini D; Kermarrec, Edwin; Cai, Yipeng; Hallas, Alannah M; Wilson, Murray N; Munsie, Timothy J S; Granroth, Garrett E; Flacau, Roxana; Greedan, John E; Gaulin, Bruce D; Luke, Graeme M

    2016-10-04

    Double perovskites (DP) of the general formula Ba2MReO6, where M = Mg, Zn, and Y2/3, all based on Re(6+) (5d(1), t2g(1)), were synthesized and studied using magnetization, heat capacity, muon spin relaxation, and neutron-scattering techniques. All are cubic, Fm3̅m, at ambient temperature to within the resolution of the X-ray and neutron diffraction data, although the muon data suggest the possibility of a local distortion for M = Mg. The M = Mg DP is a ferromagnet, Tc = 18 K, with a saturation moment ∼0.3 bohr magnetons at 3 K. There are two anomalies in the heat capacity: a sharp feature at 18 K and a broad maximum centered near 33 K. The total entropy loss below 45 K is 9.68 e.u., which approaches R ln 4 (11.52 e.u.) supporting a j = 3/2 ground state. The unit cell constants of Ba2MgReO6 and the isostructural, isoelectronic analogue, Ba2LiOsO6, differ by only 0.1%, yet the latter is an anti-ferromagnet. The M = Zn DP also appears to be a ferromagnet, Tc = 11 K, μsat(Re) = 0.1 μB. In this case the heat capacity shows a somewhat broad peak near 10 K and a broader maximum at ∼33 K, behavior that can be traced to a smaller particle size, ∼30 nm, for this sample. For both M = Mg and Zn, the low-temperature magnetic heat capacity follows a T(3/2) behavior, consistent with a ferromagnetic spin wave. An attempt to attribute the broad 33 K heat capacity anomalies to a splitting of the j = 3/2 state by a crystal distortion is not supported by inelastic neutron scattering, which shows no transition at the expected energy of ∼7 meV nor any transition up to 100 meV. However, the results for the two ferromagnets are compared to the theory of Chen, Pereira, and Balents, and the computed heat capacity predicts the two maxima observed experimentally. The M = Y2/3 DP, with a significantly larger cell constant (3%) than the ferromagnets, shows predominantly anti-ferromagnetic correlations, and the ground state is complex with a spin frozen component Tg = 16 K from both

  19. Dielectric, magnetic, and lattice dynamics properties of Y-type hexaferrite Ba0.5Sr1.5Zn2Fe12O22: Comparison of ceramics and single crystals

    NASA Astrophysics Data System (ADS)

    Kamba, S.; Goian, V.; Savinov, M.; Buixaderas, E.; Nuzhnyy, D.; Maryško, M.; Kempa, M.; Bovtun, V.; Hlinka, J.; Knížek, K.; Vaněk, P.; Novák, P.; Buršík, J.; Hiraoka, Y.; Kimura, T.; Kouřil, K.; Štěpánková, H.

    2010-05-01

    We prepared multiferroic Y-type hexaferrite Ba0.5Sr1.5Zn2Fe12O22 ceramics and compared their magnetic and dielectric properties with single crystal. Magnetic susceptibility and microwave resonance measurement revealed magnetic phase transition at TC=312 K, similar as in single crystal. Ferroelectric (FE) phase can be induced by external magnetic field in all investigated samples and the phase diagram in ceramics qualitatively resembles that of the single crystal. The range of magnetic fields, where the FE phase is induced, broadens after annealing of single crystal. Ceramics quenched after sintering exhibit several orders of magnitude lower conductivity than the single crystal. Heavily damped magnetic resonance was discovered in terahertz spectra at 10 K and its frequency softens below 5 GHz near TC. Number and symmetry of observed infrared (IR) and Raman active phonons correspond to paraelectric phase with D3d5 hexagonal structure. No evidence for a structural phase transition was found in the IR and Raman spectra on cooling (in zero magnetic field) or in the room-temperature IR spectra with external static magnetic field up to 0.3 T.

  20. Magnetic structure and effect of magnetic field on its domain structure in magnetoelectric Ba1.3Sr0.7CoZnFe11AlO22

    NASA Astrophysics Data System (ADS)

    Ueda, H.; Tanaka, Y.; Nakajima, H.; Mori, S.; Ohta, K.; Haruki, K.; Hirose, S.; Wakabayashi, Y.; Kimura, T.

    2016-10-01

    The magnetic structure and the effect of a magnetic field on its domain structure were investigated in a magnetoelectric Y-type hexaferrite, Ba1.3Sr0.7CoZnFe11AlO22, by means of mapping with a micro-focused and circularly polarized X-ray beam in the resonant X-ray diffraction. It was revealed that this hexaferrite exhibits a magnetic order characterized by two distinct antiferromagnetic components: incommensurate helical and commensurate collinear ones, which can be explained as the development of the so-called alternating longitudinal conical structure. A multi-domain state due to the handedness of the helical component, i.e., spin-chirality, is transformed into nearly a mono-domain one by using only a magnetic field. Furthermore, the sign of the spin-chirality in the mono-domain state is reversed by reversing the sign of a magnetic field. These results demonstrate that the spin-chirality in this hexaferrite can be manipulated by a magnetic field alone at room temperature.

  1. Structure refinement and dielectric relaxation of M-type Ba, Sr, Ba-Sr, and Ba-Pb hexaferrites

    SciTech Connect

    Ashima; Sanghi, Sujata; Agarwal, Ashish; Reetu; Ahlawat, Neetu; Monica

    2012-07-01

    M-type hexaferrites with compositions BaFe{sub 12}O{sub 19} (BFO), SrFe{sub 12}O{sub 19} (SFO), Ba{sub 0.5}Sr{sub 0.5}Fe{sub 12}O{sub 19} (BSFO), and Ba{sub 0.5}Pb{sub 0.5}Fe{sub 12}O{sub 19} (BPFO) were synthesized by commercial solid state reaction method. The Rietveld refinement of x-ray powder diffraction revealed a single hexagonal phase with space group P6{sub 3}/mmc for BFO, SFO, and BSFO samples, whereas BPFO sample contains hematite ({alpha}-Fe{sub 2}O{sub 3}) phase with space group R3c along with the M-type main phase. All the samples show dispersion in dielectric constant ({epsilon} Prime ) and dielectric loss (tan {delta}) values with frequency. The values of {epsilon} Prime and tan {delta} increase with increase in temperature due to increase in the number of charge carriers and their mobilities, which are thermally activated. The reciprocal temperature dependence of conductivity ({sigma}{sub ac}) and the most probable relaxation time ({tau}{sub M Double-Prime }) satisfies the Arrhenius relation. A perfect overlapping of the normalized plots of modulus isotherms on a single 'super curve' for all the studied temperatures reveals a temperature independence of dynamic processes involved in conduction and for relaxation. Further, the complex plots of M{sup *} (M Double-Prime vs M Prime ) indicate that dc conductivity dominates in the region below the M Double-Prime {sub max} point. Above M Double-Prime {sub max}, the variations follow Jonscher power law ({sigma} = A{omega}{sup s}) implying that ac conductivity is dominating in this region. Among the prepared samples, SFO hexaferrite has lowest values of {sigma}{sub ac}, {epsilon} Prime , and tan {delta} making it suitable for use in microwave devices.

  2. Structure refinement and dielectric relaxation of M-type Ba, Sr, Ba-Sr, and Ba-Pb hexaferrites

    NASA Astrophysics Data System (ADS)

    Ashima; Sanghi, Sujata; Agarwal, Ashish; Reetu; Ahlawat, Neetu; Monica

    2012-07-01

    M-type hexaferrites with compositions BaFe12O19 (BFO), SrFe12O19 (SFO), Ba0.5Sr0.5Fe12O19 (BSFO), and Ba0.5Pb0.5Fe12O19 (BPFO) were synthesized by commercial solid state reaction method. The Rietveld refinement of x-ray powder diffraction revealed a single hexagonal phase with space group P63/mmc for BFO, SFO, and BSFO samples, whereas BPFO sample contains hematite (α-Fe2O3) phase with space group R3c along with the M-type main phase. All the samples show dispersion in dielectric constant (ɛ') and dielectric loss (tan δ) values with frequency. The values of ɛ' and tan δ increase with increase in temperature due to increase in the number of charge carriers and their mobilities, which are thermally activated. The reciprocal temperature dependence of conductivity (σac) and the most probable relaxation time (τM″) satisfies the Arrhenius relation. A perfect overlapping of the normalized plots of modulus isotherms on a single "super curve" for all the studied temperatures reveals a temperature independence of dynamic processes involved in conduction and for relaxation. Further, the complex plots of M* (M″ vs M') indicate that dc conductivity dominates in the region below the M″max point. Above M″max, the variations follow Jonscher power law (σ = Aωs) implying that ac conductivity is dominating in this region. Among the prepared samples, SFO hexaferrite has lowest values of σac, ɛ', and tan δ making it suitable for use in microwave devices.

  3. Reaction kinetics and magnetic properties of Ba and Sr ferrites

    NASA Astrophysics Data System (ADS)

    Melzer, K.; Martin, A.; Klink, T.; Wartewig, P.

    1992-04-01

    This Mössbauer study is concerned with the formation mechanism of hexaferrites (n=6) and of monoferrites (n=1) in the systems (1) BaCO3+nFe2O3, (2) SrCO3+nFe2O3 and (3) 0.5BaCO3+0.5SrCO3+nFe2O3. With a molar ratio of 1∶1 for the starting materials one gets final reaction products with different crystalline structures. The experimental results indicate that the thermodynamical final state of the hexaferrite formation is reached on different routes. Various reaction models are discussed.

  4. Domain matched epitaxial growth of (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} thin films on (0001) Al{sub 2}O{sub 3} with ZnO buffer layer

    SciTech Connect

    Krishnaprasad, P. S. E-mail: mkj@cusat.ac.in; Jayaraj, M. K. E-mail: mkj@cusat.ac.in; Antony, Aldrin; Rojas, Fredy

    2015-03-28

    Epitaxial (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} (BST) thin films have been grown by pulsed laser deposition on (0001) Al{sub 2}O{sub 3} substrate with ZnO as buffer layer. The x-ray ω-2θ, Φ-scan and reciprocal space mapping indicate epitaxial nature of BST thin films. The domain matched epitaxial growth of BST thin films over ZnO buffer layer was confirmed using Fourier filtered high resolution transmission electron microscope images of the film-buffer interface. The incorporation of ZnO buffer layer effectively suppressed the lattice mismatch and promoted domain matched epitaxial growth of BST thin films. Coplanar inter digital capacitors fabricated on epitaxial (111) BST thin films show significantly improved tunable performance over polycrystalline thin films.

  5. Quaternary system SrO-CaO-BaO-CuO at 950 C. 2: Phase equilibria related to the substitution Sr/Ba in (Sr/Ba){sub 2}Ca{sub 2}Cu{sub 2}Cu{sub 3}O{sub 7} and (Sr/Ba){sub 2}CaCu{sub 2}O{sub 5} samples

    SciTech Connect

    Lebbou, K.; Abraham, R.; Trosset, S.; Cohen-Adad, M.T.

    1997-08-01

    A partial study of the solid-solid equilibria in the quaternary system BaO-SrO-CaO-CuO has been undertaken in order to determine the observed phases and their evolution when Ba is substituted for Sr in mixtures (Sr/Ba){sub 2}CaCu{sub 2}O{sub x} and (Sr/Ba){sub 2}Ca{sub 2}Cu{sub 3}O{sub x}. The temperature was fixed at 950 C and samples were elaborated under 1 bar of flowing oxygen. It has been shown that two four-phased domains exist in this quaternary system, including the following phases: ({und Ba}/Sr/Ca)CuO{sub 2}, ({und Sr/Ca}/Ba){sub 2}CuO{sub 3}, ({und Sr/Ca}/Ba){sub 14}Cu{sub 24}O{sub x}, and Ba{sub 4}CaCu{sub 3}O{sub 8} substituted Sr/Ca for the one and ({und Ba}/Sr/Ca)CuO{sub 2}, ({und Sr/Ca}/Ba){sub 2}CuO{sub 3}, ({und Sr/Ca}/Ba){sub 14}Cu{sub 24}O{sub x}, and ({und Sr/Ca}/Ba/)CuO{sub 2} for the other.

  6. Phase stability in the systems AeAl(2-x)Mgx (Ae = Ca, Sr, Ba): electron concentration and size controlled variations on the laves phase structural theme.

    PubMed

    Amerioun, Shahrad; Yokosawa, Tadahiro; Lidin, Sven; Häussermann, Ulrich

    2004-07-26

    The systems AeAl(2-x)Mgx (Ae = Ca, Sr, Ba) display electron concentration induced Laves phase structural changes. However, the complete sequence MgCu2 --> MgNi2 --> MgZn2 with increasing x (decreasing electron count) is only observed for Ae = Ca. Compounds SrAl(2-x)Mgx (0 < x < or = 2) and BaAl(2-x)Mgx (x = 0.85 and 2.0) were synthesized and structurally characterized by X-ray diffraction experiments. For the Sr system the structural sequence CeCu2 --> MgNi2 --> MgZn2 occurs with increasing Mg content x. Thus, larger Sr does not allow the realization of the MgCu2 structure at low x. For Ae = Ba a binary compound BaAl2 does not exist, but more Ba-rich Ba7Al13 forms. The reinvestigation of the crystal structure of Ba7Al13 by selected area and convergent beam electron diffraction in a transmission electron microscope revealed a superstructure, which subsequently could be refined from single X-ray diffraction data. The formula unit of the superstructure is Ba21Al40 (space group P31m, Z = 1, a = 10.568(1) angstroms, c = 17.205(6) angstroms). In Ba21Al40 a size match problem between Ba and Al present in Ba7Al13 is resolved. The structure of Ba7Al13 (Ba21Al40) can be considered as a Ba excess variant of the hexagonal MgNi2 Laves phase type structure. An incommensurately modulated variant of the MgNi2 structure is obtained for phases BaAl(2-x)Mgx with x = 0.8-1. At even higher Mg concentrations a structural change to the proper MgZn2 type structure takes place. Copyright 2004 American Chemical Society

  7. White HDPE bottles as source of serious contamination of water samples with Ba and Zn.

    PubMed

    Reimann, Clemens; Grimstvedt, Andreas; Frengstad, Bjørn; Finne, Tor Erik

    2007-03-15

    During a recent study of surface water quality factory new white high-density polyethylene (HDPE) bottles were used for collecting the water samples. According to the established field protocol of the Geological Survey of Norway the bottles were twice carefully rinsed with water in the field prior to sampling. Several blank samples using milli-Q (ELGA) water (>18.2 MOmega) were also prepared. On checking the analytical results the blanks returned values of Ag, Ba, Sr, V, Zn and Zr. For Ba and Zn the values (c. 300 microg/l and 95 microg/l) were about 10 times above the concentrations that can be expected in natural waters. A laboratory test of the bottles demonstrated that the bottles contaminate the samples with significant amounts of Ba and Zn and some Sr. Simple acid washing of the bottles prior to use did not solve the contamination problem for Ba and Zn. The results suggest that there may exist "clean" and "dirty" HDPE bottles depending on manufacturer/production process. When collecting water samples it is mandatory to check bottles regularly as a possible source of contamination.

  8. Superstructure formation in SrBa8[BN2]6 and EuBa8[BN2]6.

    PubMed

    Seidel, Stefan; Dierkes, Tobias; Jüstel, Thomas; Benndorf, Christopher; Eckert, Hellmut; Pöttgen, Rainer

    2016-07-26

    X-ray pure samples of SrBa8[BN2]6 and EuBa8[BN2]6 were synthesized from appropriate amounts of binary nitrides (Sr3N2, Ba3N2 and BN in sealed niobium ampoules and EuN, Ba3N2 and BN in BN crucibles, respectively) at temperatures up to 1370 K. The structure of SrBa8[BN2]6 was refined from single crystal X-ray diffractometer data: Fd3[combining macron]m, a = 1595.1(1) pm, wR(F(2)) = 0.0515, 387 F(2) values and 21 variables. EuBa8[BN2]6 has a lattice parameter of 1595.00(9) pm. Both nitridoborates adopt a new 2 × 2 × 2 superstructure variant of the LiCa4[BN2]3 type, realized through ordering of vacancies and Sr(2+) and Eu(2+) cations, respectively. The structures of SrBa8[BN2]6 and LiCa4[BN2]3 are related by a group-subgroup scheme. The Sr(2+)/vacancy ordering leads to an asymmetric coordination (1 × Sr(2+) and 8 × Ba(2+) in a distorted, mono-capped square prism) for the [BN2](3-) units with B-N distances of 132 and 136 pm. Vibrational spectra of SrBa8[BN2]6 and EuBa8[BN2]6 confirm the discrete linear [BN2](3-) units and (11)B solid state MAS NMR spectra are compatible with single crystallographic sites for the boron atoms. In EuBa8[BN2]6 the spectra are profoundly influenced by interactions of the (11)B nuclei with the unpaired electrons of the paramagnetic Eu(2+) ions.

  9. Magnetic field reversal of electric polarization and magnetoelectric phase diagram of the hexaferrite Ba{sub 1.3}Sr{sub 0.7}Co{sub 0.9}Zn{sub 1.1}Fe{sub 10.8}Al{sub 1.2}O{sub 22}

    SciTech Connect

    Shen, Shipeng; Yan, Liqin; Chai, Yisheng; Cong, Junzhuang; Sun, Young

    2014-01-20

    Low magnetic field reversal of electric polarization has been demonstrated in the multiferroic Y-type hexaferrite Ba{sub 1.3}Sr{sub 0.7}Co{sub 0.9}Zn{sub 1.1}Fe{sub 10.8}Al{sub 1.2}O{sub 22} single crystal. The maximum magnetoelectric coefficient at 200 K reaches 1065 ps/m near zero magnetic field. By a systematic investigation of magnetic field dependence of magnetic and dielectric responses at various temperatures, we obtained the magnetoelectric phase diagram describing the detailed evolution of the spin-induced ferroelectric phases with temperature and magnetic field. Below 225 K, the transverse spin cone can be stabilized at zero magnetic field, which is responsible for the reversal behavior of electric polarization. Our study reveals how to eventually achieve magnetic field reversal of electric polarization in hexaferrites at room temperature.

  10. The Structural Disorder and Lattice Stability of (Ba,Sr)(Co,Fe)O3 Complex Perovskites

    SciTech Connect

    S.N.Rashkeev

    2011-05-01

    The structural disorder and lattice stability of complex perovskite (Ba,Sr)(Co,Fe)O3, a promising cathode material for solid oxide fuel cells and oxygen permeation membranes, is explored by means of first principles DFT calculations. It is predicted that Ba and Sr ions easily exchange their lattice positions (A-cation disorder) similarly to Co and Fe ions (B-cation disorder). The cation antisite defects (exchange of A- and B-type cations) have a relatively high formation energy. The BSCF is predicted to exist in an equilibrium mixture of several phases and can decompose exothermically into the Ba- and Co-rich hexagonal (Ba,Sr)CoO3 and Sr- and Fe-rich cubic (Ba,Sr)FeO3 perovskites.

  11. First principles investigations of structural, elastic, dielectric and piezoelectric properties of { Ba,Sr,Pb } TiO3, { Ba,Sr,Pb } ZrO3 and { Ba,Sr,Pb } { Zr,Ti } O3 ceramics

    NASA Astrophysics Data System (ADS)

    Akgenc, Berna; Tasseven, Cetin; Cagin, Tahir

    2015-03-01

    We use first-principle density-functional study of structural, anisotropic mechanical, dielectric and piezoelectric properties of {Ba,Sr,Pb}TiO3, {Ba,Sr,Pb}ZrO3 and {Ba,Sr,Pb}{Zr,Ti}O3 alloys in cubic perovskite structures at zero temperature. Because there is significant interest in finding new piezoelectrics that do not contain toxic elements such as lead. In this study, we compare piezoelectric response of those alloys to synthesize outstanding piezoelectric materials. In perovskite structures, the spontaneous polarization is due to enormous values of Born effective charges computed by linear response within density functional perturbation theory, which are much larger than predicted nominal charge. We deeply investigated the effects of composition, order and site defects structure on piezoelectric constants.

  12. High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

    SciTech Connect

    Dolyniuk, Juli -Anna; Kovnir, Kirill

    2016-08-12

    Here, the high pressure properties of the novel tetrel-free clathrate, Ba8Cu13.1Zn3.3P29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba8Cu13.1Zn3.3P29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A8Ga16Ge30 (A = Sr, Ba) and Sn19.3Cu4.7P22I8, but lower than those for the transition metal-containing silicon-based clathrates, Ba8TxSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.

  13. High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

    DOE PAGES

    Dolyniuk, Juli -Anna; Kovnir, Kirill

    2016-08-12

    Here, the high pressure properties of the novel tetrel-free clathrate, Ba8Cu13.1Zn3.3P29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba8Cu13.1Zn3.3P29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A8Ga16Ge30 (A = Sr, Ba) and Sn19.3Cu4.7P22I8, but lower than those for the transition metal-containing silicon-based clathrates, Ba8TxSi46–x, T = Ni, Cu; 3 ≤more » x ≤ 5.« less

  14. Syntheses, crystal structures and characterizations of BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}

    SciTech Connect

    Jiang Hailong; Feng Meiling; Mao Jianggao . E-mail: mjg@ms.fjirsm.ac.cn

    2006-06-15

    Two new barium zinc selenite and tellurite, namely, BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}, have been synthesized by the solid state reaction. The structure of BaZn(SeO{sub 3}){sub 2} features double chains of [Zn(SeO{sub 3}){sub 2}]{sup 2-} anions composed of four- and eight-member rings which are alternatively along a-axis. The double chains of [Zn{sub 2}(TeO{sub 3}){sub 2}Cl{sub 3}]{sup 3-} anions in BaZn(TeO{sub 3})Cl{sub 2} are formed by Zn{sub 3}Te{sub 3} rings in which each tellurite group connects with three ZnO{sub 3}Cl tetrahedra. BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2} are wide bandgap semiconductors based on optical diffuse reflectance spectrum measurements. -- Graphical abstract: Two new barium zinc selenite and tellurite, namely, BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2}, have been synthesized by solid state reaction. The structure of BaZn(SeO{sub 3}){sub 2} features 1D double chains of [Zn(SeO{sub 3}){sub 2}]{sup 2-} anions composed of four- and eight-member rings which are alternatively along a-axis. The 1D double chains of [Zn{sub 2}(TeO{sub 3}){sub 2}Cl{sub 3}]{sup 3-} anions in BaZn(TeO{sub 3})Cl{sub 2} are formed by Zn{sub 3}Te{sub 3} rings in which each tellurite group connects with one ZnO{sub 3}Cl and two ZnO{sub 2}Cl{sub 2} tetrahedra. BaZn(SeO{sub 3}){sub 2} and BaZn(TeO{sub 3})Cl{sub 2} are wide bandgap semiconductors based on optical diffuse reflectance spectrum measurements.

  15. Ba1−xSrxZn2Si2O7 - A new family of materials with negative and very high thermal expansion

    PubMed Central

    Thieme, Christian; Görls, Helmar; Rüssel, Christian

    2015-01-01

    The compound BaZn2Si2O7 shows a high coefficient of thermal expansion up to a temperature of 280 °C, then a transition to a high temperature phase is observed. This high temperature phase exhibits negative thermal expansion. If Ba2+ is successively replaced by Sr2+, a new phase with a structure, similar to that of the high temperature phase of BaZn2Si2O7, forms. At the composition Ba0.8Sr0.2Zn2Si2O7, this new phase is completely stabilized. The crystal structure was determined with single crystal X-ray diffraction using the composition Ba0.6Sr0.4Zn2Si2O7, which crystallizes in the orthorhombic space group Cmcm. The negative thermal expansion is a result of motions and distortions inside the crystal lattice, especially inside the chains of ZnO4 tetrahedra. Dilatometry and high temperature X-ray powder diffraction were used to verify the negative thermal expansion. Coefficients of thermal expansion partially smaller than −10·10−6 K−1 were measured. PMID:26667989

  16. Crystal chemical and quantum chemical studies of Ba(Sr)-Nb oxide compounds

    NASA Technical Reports Server (NTRS)

    Zubkov, V. G.; Turzhevsky, S. A.; Pereliaev, V. A.; Liechtenstein, A. I.; Gubanov, V. A.

    1990-01-01

    The information available on the BaO(SrO)-NbO-NbO2 system with the niobium atom in the lower oxidation degree is very limited. Very few compounds have been found previously in this system. They are BaNbO3, SrxNbO3(0,7=x=1), Ba2Nb2O9, SrNb8O14; and some suggestions on the BaNb8O14 existence have been made also. At the same time Nb-based oxide compounds could be quite interesting in the search of new noncopper high T(sub c) superconductors Researchers studied Ba(Sr) NbxO2x-2 and Ba2(Sr2)-NbxO2x-1 compositions in the phase diagram of BaO(SrO)-NbO-NbO2 system. The synthesis of the materials was carried out in vacuum at the temperatures of 1000 to 1500 C. Barium carbonate and niobium pentoxide were used as initial components. X-ray analysis was carried out.

  17. The effect of interface on the electrical properties of (Ba, Sr)TiO3 adopting the perovskite electrodes

    NASA Astrophysics Data System (ADS)

    Kim, Boum-Seock; Oh, Se-Hoon; Son, Seung-Young; Park, Kyung-Woong; Choi, Duck-Kyun; Dai, Z. R.; Ohuchi, Fumio S.

    2000-05-01

    Perovskite type conducting materials (Ca, Sr)RuO3 and (Ba, Sr)RuO3 were prepared by rf magnetron sputtering as bottom electrodes for (Ba, Sr)TiO3 thin film capacitors. The crystallinity, interface property, and electrical properties of the (Ba, Sr)TiO3 capacitor applying the perovskite oxide electrodes were investigated. The interface between the dielectric and the electrode were analyzed by high-resolution electron microscopy and Auger electron spectroscopy. The interface had a marked effect on the electrical properties of the (Ba, Sr)TiO3 thin films. Dielectric constant for the (Ba, Sr)TiO3 had considerable dependence on the thickness of interfacial layer. The leakage current density of the capacitor was sensitive not only to the structural match but also to the chemical match between (Ba, Sr)TiO3 and the electrode.

  18. Dielectric, magnetic, and lattice dynamics properties of Y-type hexaferrite Ba{sub 0.5}Sr{sub 1.5}Zn{sub 2}Fe{sub 12}O{sub 22}: Comparison of ceramics and single crystals

    SciTech Connect

    Kamba, S.; Goian, V.; Savinov, M.; Buixaderas, E.; Nuzhnyy, D.; Marysko, M.; Kempa, M.; Bovtun, V.; Hlinka, J.; Knizek, K.; Vanek, P.; Novak, P.; Bursik, J.; Hiraoka, Y.; Kimura, T.; Kouril, K.; Stepankova, H.

    2010-05-15

    We prepared multiferroic Y-type hexaferrite Ba{sub 0.5}Sr{sub 1.5}Zn{sub 2}Fe{sub 12}O{sub 22} ceramics and compared their magnetic and dielectric properties with single crystal. Magnetic susceptibility and microwave resonance measurement revealed magnetic phase transition at T{sub C}=312 K, similar as in single crystal. Ferroelectric (FE) phase can be induced by external magnetic field in all investigated samples and the phase diagram in ceramics qualitatively resembles that of the single crystal. The range of magnetic fields, where the FE phase is induced, broadens after annealing of single crystal. Ceramics quenched after sintering exhibit several orders of magnitude lower conductivity than the single crystal. Heavily damped magnetic resonance was discovered in terahertz spectra at 10 K and its frequency softens below 5 GHz near T{sub C}. Number and symmetry of observed infrared (IR) and Raman active phonons correspond to paraelectric phase with D{sub 3d}{sup 5} hexagonal structure. No evidence for a structural phase transition was found in the IR and Raman spectra on cooling (in zero magnetic field) or in the room-temperature IR spectra with external static magnetic field up to 0.3 T.

  19. Soft-mode spectroscopy in cubic (Ba0.8Sr0.2)Ti0.95(Zn1/3Nb2/3)0.05O3 by hyper-Raman scattering and the mechanism of the phase transition

    NASA Astrophysics Data System (ADS)

    Nabil, Dhifallah; Hehlen, Bernard; El Marssi, Mimoun; Mohamed, Dammak; Khemakhem, Hamadi

    2016-12-01

    This paper presents a survey of soft modes and their relationship to structural phase transitions. After introducing the concept of a soft mode, the origin of softening is considered from a lattice-dynamical point. The Landau theory approach to structural transitions is then discussed, followed by a generalization of the soft-mode concept through the use of the dynamic order-parameter susceptibility. The hyper-Raman spectra in the cubic phase of (Ba0.8Sr0.2)Ti0.95(Zn1/3Nb2/3)0.05O3 are studied with special emphasis on the lowest-frequency phonon mode. The spectral structure is found to change above the Curie temperature (303-873 K). Soft modes were put forward by Cochran and Anderson about 50 years ago as an explanation of structural phase transitions. Extending Landau's theory of phase transitions, their prediction was that the square of the frequency of the soft mode was proportional to ω0 (T) = C √{ T - TC } where Tc is the transition temperature.

  20. Superconductivity in the Sn-Ba-Sr-Y-Cu-O system

    NASA Technical Reports Server (NTRS)

    Aleksandrov, K. S.; Khrustalev, B. P.; Krivomazov, S. N.; Petrov, M. I.; Vasilyev, A. D.; Zwegintsev, S. A.

    1991-01-01

    After the discovery of high-T(sub c) superconductivity in the La-Ba-Cu-O compound, several families of superconducting oxides were synthesized. Here, researchers report the results of the search for superconductivity in the compounds based on tin which has a lone electron pair like Bi, Tl, and Pb. The following compounds were synthesized: Sn1Ba1Sr1Cu3O(sub x), Sn1Ba1Ca1Cu3O(sub x), Sn1Ba1Mg1Cu3O(sub x), Sn1Sr1Ca1Cu3O(sub x), Sn1Sr1Mg1Cu3O(sub x), and Sn1Ca1Mg1Cu3O(sub x). The initial components were oxides and carbonates of the appropriate elements. A standard firing-grinding procedure was used. Final heating was carried out at 960 C during 12 hours. Then the samples were cooled inside the furnace. All the synthesis cycles were carried out in air atmosphere. Among the synthesized compounds only Sn1Ba1Sr1Cu3O(sub x) showed remarkable conductivity. Other compounds were practically dielectrics. Presence of a possible superconductivity in Sn1Ba1Sr1Cu3O(sub x) was defined by using the Meissner effect. At low temperature a deviation from paramagnetic behavior is observed. The hysteresis loops obtained at lower temperature undoubtly testify to the presence of a superconductive phase in the sample. However, the part of the superconductive phase in the Sn1Ba1Sr1Cu3O(sub x) ceramic turned out to be small, less than 2 percent, which agrees with the estimation from magnetic data. In order to increase the content of the superconductive phase, two-valent cations Ba and Sr were partially substituted by univalent (K) and three-valent ones (Y).

  1. Superconductivity in the Sn-Ba-Sr-Y-Cu-O system

    NASA Technical Reports Server (NTRS)

    Aleksandrov, K. S.; Khrustalev, B. P.; Krivomazov, S. N.; Petrov, M. I.; Vasilyev, A. D.; Zwegintsev, S. A.

    1990-01-01

    Since Bednorz and Muller discovered high-T(sub c) superconductivity in the La-Ba-Cu-O compound, several families of superconducting oxides have been synthesized. Here, researchers report the results of search for superconductivity in the compounds based on tin, which has a lone electron pair like Bi, Tl, Pb. The following compounds were synthesized: Sn1Ba1Sr1Cu3Ox, Sn1Ba1Ca1Cu3Ox, Sn1Ba1Mg1Cu3Ox, Sn1Sr1Ca1Cu3Ox, Sn1Sr1Mg1Cu3Ox, Sn1Ca1Mg1Cu3Ox. The initial components were oxides and carbonates of the appropriate elements. Standard firing-grinding procedure was used. Final heating was carried out at 960 C during 12 hours. Then the samples were cooled inside the furnace. All the synthesis cycles were carried out in air atmosphere. Among the synthesized compounds only Sn1Ba1Sr1Cu3Ox showed remarkable conductivity. Other compounds were practically dielectrics. Presence of a possible superconductivity in Sn1Ba1Sr1Cu3Ox was defined by using the Meissner effect. At low temperature a deviation from paramagnetic behavior is observed. The hysteresis loops obtained at lower temperatures undoubtly testify to the presence of a superconductive phase in the sample. However, the part of the superconductive phase in the Sn1Ba1Sr1Cu3Ox ceramic turned out to be small, less than 2 percent, which agrees with the estimation from magnetic data. In order to increase the content of the superconductive phase two-valent cations Ba, Sr were partially substituted by univalent (K) and three-valent ones (Y).

  2. The solubility of (Ba,Sr)SO 4 precipitates: Thermodynamic equilibrium and reaction path analysis

    NASA Astrophysics Data System (ADS)

    Felmy, Andrew R.; Rai, Dhanpat; Moore, Dean A.

    1993-09-01

    The solubility of (Ba,Sr)SO 4 precipitates, varying in SrSO 4 mole fraction from 0.05-0.90, was investigated at room temperature with an equilibration period extending to almost three years. The data show that on or before 315 days of equilibration the precipitates reach a reversible equilibrium with the aqueous solution. The reversibility of this equilibrium was verified both by the attainment of steady-state concentrations with time and by heating the samples to perturb the equilibrium and then observing the slow return to the initial equilibrium state. The dissolution of the (Ba,Sr)SO 4 precipitates does not, in general, follow limiting reaction paths as defined by the Lippmann solutus or stoichiometric dissolution curves. In addition, activity coefficient calculations for the BaSO 4 and SrSO 4 components of the solid phase, using either total bulk analysis or near-surface analysis of the component mole fractions, do not satisfy the Gibbs-Duhem equation, demonstrating that a single solid-solution phase does not control both the aqueous Ba and Sr concentrations. Instead, our long-term equilibration data can be explained by the unavoidable formation of small amounts of barite and substitution of Sr into a solid-solution phase with the BaSO 4 component of the solid-solution phase never reaching thermodynamic equilibrium with the aqueous phase.

  3. Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

    NASA Astrophysics Data System (ADS)

    Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

    2016-08-01

    We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

  4. High-pressure synthesis of the cubic perovskite BaRuO3 and evolution of ferromagnetism in ARuO3 (A = Ca, Sr, Ba) ruthenates

    PubMed Central

    Jin, C.-Q.; Zhou, J.-S.; Goodenough, J. B.; Liu, Q. Q.; Zhao, J. G.; Yang, L. X.; Yu, Y.; Yu, R. C.; Katsura, T.; Shatskiy, A.; Ito, E.

    2008-01-01

    The cubic perovskite BaRuO3 has been synthesized under 18 GPa at 1,000°C. Rietveld refinement indicates that the new compound has a stretched Ru–O bond. The cubic perovskite BaRuO3 remains metallic to 4 K and exhibits a ferromagnetic transition at Tc = 60 K, which is significantly lower than the Tc ≈ 160 K for SrRuO3. The availability of cubic perovskite BaRuO3 not only makes it possible to map out the evolution of magnetism in the whole series of ARuO3 (A = Ca, Sr, Ba) as a function of the ionic size of the A-site rA, but also completes the polytypes of BaRuO3. Extension of the plot of Tc versus rA in perovskites ARuO3 (A = Ca, Sr, Ba) shows that Tc does not increase as the cubic structure is approached, but has a maximum for orthorhombic SrRuO3. Suppressing Tc by Ca and Ba doping in SrRuO3 is distinguished by sharply different magnetic susceptibilities χ(T) of the paramagnetic phase. This distinction has been interpreted in the context of a Griffiths' phase on the (Ca Sr)RuO3 side and bandwidth broadening on the (Sr,Ba)RuO3 side. PMID:18480262

  5. Room temperature magnetoelectric coupling in Zn1-xCoxO/BaTiO3 bilayer system

    NASA Astrophysics Data System (ADS)

    Sundararaj, Anuraj; Annal Therese, Helen; Ramaswamy, Shivaraman; Chandrasekaran, Gopalakrishnan; Annamalai, Karthigeyan

    2014-09-01

    We report on room temperature magnetoelectric coupling in Zn1-xCoxO/BaTiO3 (x = 0.02, 0.05, and 0.10) bilayer thinfilm multiferroic system (BLS) grown on SrTiO3 (100) substrate. All the BLSs exhibit room temperature ferroelectric response. The BLS with x = 0.02 is paramagnetic, while the BLS with x = 0.05 and 0.10 is weakly ferromagnetic. Increase in Co concentration of the BLS results in reduction of permittivity and electric polarization along with increase of coercive voltage, coercive field, and magnetic moment. The d33 value change from 23 pm/V to 30 pm/V with increase in external magnetic field from 1500 G to 2500 G for BLS with x = 0.05. This shows that Zn1-xCoxO/BaTiO3 is magnetoelectrically coupled at room temperature.

  6. Bi3+ Luminescence in ABiO2Cl (A = Sr, Ba) and BaBiO2Br

    SciTech Connect

    Porter-Chapman, Yetta D.; Bourret-Courchesne, Edith E.; Derenzo,Stephen E.

    2007-01-18

    Trivalent bismuth luminescence is reported in three Sillenbismuth oxyhalide phases, SrBiO2Cl, BaBiO2Cl, and BaBiO2Br. Thesecompounds exhibit Bi 6s6->6 s2 emission under UV and X-ray radiation.At room temperature, BaBiO2Cl shows the most intense light emission, withspectral and decay properties similar to those found in Bi4Ge3O12 (BGO).At low temperatures, each phase show an increase in the photoluminescenceintensities and a narrowing of the emission peaks. In contrast to thetemperature dependence of BGO, X-ray excited luminescence intensities ofall three phases remain relatively constant throughout the temperaturerange 10 - 295 K. This result indicates that the Sillen phases undergoless thermal quenching than BGO. The low temperature and room temperatureradio-luminescence decay times were determined from pulsed x-raymeasurements. At room temperature, SrBiO2Cl exhibits faster decays thanBGO, while, BaBiO2Cl and BaBiO2Br have decay times similar toBGO.

  7. EXPLAINING THE Sr AND Ba SCATTER IN EXTREMELY METAL-POOR STARS

    SciTech Connect

    Aoki, W.; Suda, T.; Boyd, R. N.; Kajino, T.; Famiano, M. A. E-mail: takuma.suda@nao.ac.jp E-mail: kajino@nao.ac.jp

    2013-03-20

    Compilations of abundances of strontium and barium in extremely metal-poor stars show that an apparent cutoff is observed for [Sr/Ba] at [Fe/H] < -3.6 and large fluctuations for [Fe/H] > -3.6 with a clear upper bound depending on metallicity. We study the factors that place upper limits on the logarithmic ratio [Sr/Ba]. A model is developed in which the collapses of type II supernovae are found to reproduce many of the features seen in the data. This model is consistent with galactic chemical evolution constraints of light-element enrichment in metal-poor stars. Effects of turbulence in an explosive site have also been simulated, and are found to be important in explaining the large scatter observed in the [Sr/Ba] data.

  8. Effect of local environment on crossluminescence kinetics in SrF2:Ba and CaF2:Ba solid solutions

    NASA Astrophysics Data System (ADS)

    Terekhin, M. A.; Makhov, V. N.; Lebedev, A. I.; Sluchinskaya, I. A.

    2015-10-01

    Spectral and kinetic properties of extrinsic crossluminescence (CL) in SrF2:Ba(1%) and CaF2:Ba(1%) are compared with those of intrinsic CL in BaF2 and are analyzed taking into account EXAFS data obtained at the Ba LIII edge and results of first-principles calculations. The CL decay time was revealed to be longer in SrF2:Ba and CaF2:Ba compared to BaF2. This fact contradicts the expected acceleration of luminescence decay which could result from an increased overlap of wave functions in solid solutions due to shortening of the Ba-F distance obtained in both EXAFS measurements and first-principles calculations. This discrepancy is explained by the effect of migration and subsequent non-radiative decay of the Ba(5p) core holes in BaF2 and by decreasing of the probability of optical transitions between Ba(5p) states and the valence band in SrF2:Ba and CaF2:Ba predicted by first-principles calculations.

  9. Thermoelectric properties of BaSi2, SrSi2, and LaSi

    NASA Astrophysics Data System (ADS)

    Hashimoto, Kohsuke; Kurosaki, Ken; Imamura, Yasushi; Muta, Hiroaki; Yamanaka, Shinsuke

    2007-09-01

    We studied the thermoelectric properties of BaSi2, SrSi2, and LaSi. The polycrystalline samples were prepared by spark plasma sintering (SPS). The electrical resistivity (ρ), Seebeck coefficient (S), and thermal conductivity (κ) were measured above room temperature. The power factor (S2/ρ) is quite low (below 10-5 Wm-1 K-2 over the whole temperature range) for BaSi2 and LaSi, while relatively high (1.19×10-3 Wm-1 K-2 at 331 K) for SrSi2. BaSi2 exhibits quite low κ. The κ values at room temperature are 1.56, 5.25, and 6.71 Wm-1 K-1 for BaSi2, SrSi2, and LaSi, respectively. The maximum values of the dimensionless figure of merit, ZT =S2T/ρ/κ, are 0.01 at 954 K for BaSi2, 0.09 at 417 K for SrSi2, and 0.002 at 957 K for LaSi.

  10. Hysteretic electrical transport in BaTiO{sub 3}/Ba{sub 1−x}Sr{sub x}TiO{sub 3}/Ge heterostructures

    SciTech Connect

    Ngai, J. H.; Kumah, D. P.; Walker, F. J.; Ahn, C. H.

    2014-02-10

    We present electrical transport measurements of heterostructures comprised of BaTiO{sub 3} and Ba{sub 1−x}Sr{sub x}TiO{sub 3} epitaxially grown on Ge. Sr alloying imparts compressive strain to the BaTiO{sub 3}, which enables the thermal expansion mismatch between BaTiO{sub 3} and Ge to be overcome to achieve c-axis oriented growth. The conduction bands of BaTiO{sub 3} and Ba{sub 1−x}Sr{sub x}TiO{sub 3} are nearly aligned with the conduction band of Ge, which facilitates electron transport. Electrical transport measurements through the dielectric stack exhibit rectifying behavior and hysteresis, where the latter is consistent with ferroelectric switching.

  11. High-pressure densified solid solutions of alkaline earth hexaborides (Ca/Sr, Ca/Ba, Sr/Ba) and their high-temperature thermoelectric properties

    SciTech Connect

    Gürsoy, M.; Takeda, M.; Albert, B.

    2015-01-15

    Solid solutions of alkaline earth hexaborides were synthesized and densified by spark plasma sintering at 100 MPa. The high-temperature thermoelectric properties (Seebeck coefficients, electrical and thermal diffusivities, heat capacities) were measured between room temperature and 1073 K. CaB{sub 6}, SrB{sub 6}, BaB{sub 6} and the ternary hexaborides Ca{sub x}Sr{sub 1−x}B{sub 6}, Ca{sub x}Ba{sub 1−x}B{sub 6}, Sr{sub x}Ba{sub 1−x}B{sub 6} (x = 0.25, 0.5, 0.75) are n-type conducting compounds over the whole compositional and thermal ranges. The values of the figure of merit ZT for CaB{sub 6} (ca. 0.3 at 1073 K) were found to be significantly increased compared to earlier investigations which is attributed to the densification process. - Highlights: • Solid solutions of alkaline earth hexaborides were synthesized. • High-temperature thermoelectric properties of mixed calcium borides are excellent. • Spark plasma source densification results in high ZT values. • Borides are rare-earth free and refractory materials.

  12. The new barium zinc mercurides Ba3ZnHg10 and BaZn0.6Hg3.4 - Synthesis, crystal and electronic structure

    NASA Astrophysics Data System (ADS)

    Schwarz, Michael; Wendorff, Marco; Röhr, Caroline

    2012-12-01

    The title compounds Ba3ZnHg10 and BaZn0.6Hg3.4 were synthesized from stoichiometric ratios of the elements in Ta crucibles. Their crystal structures, which both represent new structure types, have been determined using single crystal X-ray data. The structure of Ba3ZnHg10 (orthorhombic, oP28, space group Pmmn, a=701.2(3), b=1706.9(8), c=627.3(3)pm, Z=2, R1=0.0657) contains folded 44 Hg nets, where the meshes form the bases of flat rectangular pyramids resembling the structure of BaAl4. The flat pyramids are connected via Hg-Zn/Hg bonds, leaving large channels at the folds, in which Ba(1) and Hg(2) atoms alternate. Whereas the remaining Hg/Zn atoms form a covalent 3D network of three- to five-bonded atoms with short M-M distances (273-301 pm; CN 9-11), the Hg(2) atoms in the channels adopt a comparatively large coordination number of 12 and increased distances (317-348 pm) to their Zn/Hg neighbours. In the structure of BaZn0.6Hg3.4 (cubic, cI320, space group I4bar3d, a=2025.50(7) pm, Z=64, R1=0.0440), with a chemical composition not much different from that of Ba3ZnHg10, the Zn/Hg atoms of the mixed positions M(1/2) are arranged in an slightly distorted primitive cubic lattice with a 4×4×4 subcell relation to the unit cell. The 24 of the originating 64 cubes contain planar cis tetramers Hg(5,6)4 with Hg in a nearly trigonal planar or tetrahedral coordination. In another 24 of the small cubes, two opposing faces are decorated by Hg(3,4)2 dumbbells, two by Ba(2) atoms respectively. The third type of small cubes are centered by Ba(1) atoms only. The complex 3D polyanionic Hg/Zn network thus formed is compared with the Hg partial structure in Rb3Hg20 applying a group-subgroup relation. Despite their different overall structures, the connectivity of the negatively charged Hg atoms, the rather metallic Zn bonding characteristic (as obtained from FP-LAPW band structure calculations) and the coordination number of 16 for all Ba cations relate the two title compounds.

  13. Variable thermal expansion of glass-ceramics containing Ba1-xSrxZn2Si2O7.

    PubMed

    Thieme, Christian; Schlesier, Martin; Oji Dike, Eze; Rüssel, Christian

    2017-06-13

    Up to now, the thermal expansion behavior of multiphase glass-ceramics cannot be predicted reliably because of the nescience about the formation of the type and concentration of crystalline phases. In the system BaO-SrO-ZnO-SiO2, recently a new phase based on Ba1-xSrxZn2Si2O7 solid solutions was found, which exhibits unexpected low and highly anisotropic thermal expansion, which can be used for an adjustment of the thermal expansion properties. In the case of sealing materials for high-temperature reactors, the formation of this phase should be avoided. Hence, in this manuscript the concentration thresholds in which these solid solutions precipitate from glasses were determined. The phase analysis was correlated with the thermal expansion behavior of the glass-ceramics. Depending on the Ba/Sr-ratio of the glasses and the considered temperature range, the coefficients of thermal expansion of the glass-ceramics vary between 19.4·10(-6) K(-1) and 4.8·10(-6) K(-1). The concentration thresholds in which the as mentioned phases form via crystallization of glasses differ strongly from the literature values obtained via conventional ceramic mixed oxide route.

  14. Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH

    SciTech Connect

    Evans, Michael J.; Lee, Myeong H.; Holland, Gregory P.; Daemen, Luke L.; Sankey, Otto F.; Haeussermann, Ulrich

    2009-08-15

    Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH (AeGaTtH) have been investigated by means of inelastic neutron scattering (INS) and first principles calculations. The compounds contain separated Ga-H units being part of a two dimensional polyanionic layer, [TtGaH]{sup 2-} (Tt=Si, Ge, Sn). The INS spectra show internal Ga-H bending and stretching modes at frequencies around 900 and 1200 cm{sup -1}, respectively. While the stretching mode is virtually invariant with respect to the variable chemical environment of the Ga-H unit, the bending mode frequency varies and is highest for BaGaSiH and lowest for BaGaSnH. The stretching mode is a direct measure of the Ga-H bond strength, whereas the bending mode reflects indirectly the strength of alkaline earth metal-hydrogen interaction. Accordingly, the terminal Ga-H bond in solid state AeGaTtH is distinct, but-compared to molecular gallium hydrides-very weak. - Graphical abstract: Vibrational properties of the gallium monohydrides SrGaGeH, BaGaSiH, BaGaGeH, and BaGaSnH have been investigated and revealed Ga-H stretching mode frequencies around 1200 cm{sup -1}. This implies that the terminal Ga-H bond in solid state polyanionic gallium hydrides is very weak compared to molecular gallium hydride species.

  15. Structure and magnetic properties of Zn-Ti-substituted Ba-ferrite particles for magnetic recording

    NASA Astrophysics Data System (ADS)

    Wang, C. S.; Wei, F. L.; Lu, M.; Han, D. H.; Yang, Z.

    1998-03-01

    The formation process of Zn-Ti-doped Ba-ferrite particles was investigated by the X-ray diffraction technique, transmission electron microscope and magnetic measurements. The effects of heating temperature Th and the Zn-Ti substitution x on the microstructure and magnetic properties of BaFe 12-2 xZn xTi x O 19 particles with x=0.10-0.80 were studied. The temperature dependence of magnetic properties of these particles was measured.

  16. Sr/Ca and Ba/Ca variations in environmental and biological sources: A survey of marine and terrestrial systems

    NASA Astrophysics Data System (ADS)

    Peek, Stephanie; Clementz, Mark T.

    2012-10-01

    The relative concentrations of strontium to calcium (Sr/Ca) and barium to calcium (Ba/Ca) in mammalian bioapatite are common biogeochemical indicators for trophic level and/or dietary preferences in terrestrial foodwebs; however, similar research in marine foodwebs is lacking. This study combined environmental and biological Sr/Ca and Ba/Ca data from both terrestrial and marine settings from 62 published books, reports, and studies along with original data collected from 149 marine mammals (30 species) and 83 prey items (18 species) and found that variations in Sr/Ca and Ba/Ca ratios of biological and environmental samples are appreciably different in terrestrial and marine systems. In terrestrial systems, environmental sources account for most of the variations in Sr/Ca and Ba/Ca ratios. In contrast, environmental sources in marine systems (i.e., seawater) are comparatively invariant, meaning most of the variations in Sr/Ca and Ba/Ca ratios originate from biological processes. Marine consumers, particularly non-mammalian and mammalian vertebrates, show evidence of biopurification of Ca relative to Sr and Ba, similar to what is observed in terrestrial systems; however, unlike terrestrial systems, variations in Sr/Ca and Ba/Ca ratios of environmental sources are overprinted by bioaccumulation of Sr and Ba at the base of marine foodwebs. This demonstrates that in marine systems, spatial or temporal differences may have little to no effect on Sr/Ca and Ba/Ca ratios of marine vertebrates, making Sr/Ca, and to a lesser extent Ba/Ca, potentially useful global proxies for trophic level and dietary preferences of marine vertebrates.

  17. Synthesis and Structure Determination of Ferromagnetic Semiconductors LaAMnSnO6 (A = Sr Ba)

    SciTech Connect

    T Yang; T Perkisas; J Hadermann; M Croft; A Ignatov; M Greenblatt

    2011-12-31

    LaAMnSnO{sub 6} (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H{sub 2}/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO{sub 6} crystallizes in the GdFeO{sub 3}-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO{sub 6} in Imma. Both space groups are common in disordered double-perovskites. The Mn{sup 3+} and Sn{sup 4+} ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO{sub 6} octahedra are slightly distorted. LaAMnSnO{sub 6} are ferromagnetic semiconductors with a T{sub C} = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO{sub 6} provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO{sub 6} (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.

  18. Synthesis of ZnO/SrO nanocomposites for enhanced photocatalytic activity under visible light irradiation

    NASA Astrophysics Data System (ADS)

    Harish, S.; Sabarinathan, M.; Archana, J.; Navaneethan, M.; Nisha, K. D.; Ponnusamy, S.; Gupta, Vinay; Muthamizhchelvan, C.; Aswal, D. K.; Ikeda, H.; Hayakawa, Y.

    2017-10-01

    To enhance the photocatalytic activity of zinc oxide (ZnO) nanostructures, strontium oxide (SrO) nanoparticles (NPs) have introduced into ZnO through a facile, inexpensive, one pot hydrothermal approach. The as prepared samples were extensively characterized using various techniques. The morphological analysis revealed, in the absence of Sr, ZnO nanoflowers consist of hexagonal nanorods. Addition of Sr in various amount has profound effect on the morphology. Initially, SrO nanoparticles were formed on the surface of ZnO nanorods. As the weight percentage of SrO increased, the morphology of SrO nanoparticles have been changed to bipods and tripods. The XRD studies revealed good crystallinity of samples with presence of both phases, ZnO as well as SrO, simultaneously. The photocatalytic degradation of ZnO/SrO nanocomposites were 9 times faster than the pure ZnO under visible light irradiation. The optimum Sr weight percentage was found to be 3%. Our experimental results revealed that photogenerated superoxide (O2-rad) radicals are the main reactive species for the degradation of MB. The maximum degradation efficiency was observed for 3% of Sr, the MB completely degrades after 6 min of irradiation.

  19. High field-effect mobility at the (Sr,Ba)SnO{sub 3}/BaSnO{sub 3} interface

    SciTech Connect

    Fujiwara, Kohei Nishihara, Kazuki; Shiogai, Junichi; Tsukazaki, Atsushi

    2016-08-15

    A perovskite oxide, BaSnO{sub 3}, has been classified as one of transparent conducting materials with high electron mobility, and its application for field-effect transistors has been the focus of recent research. Here we report transistor operation in BaSnO{sub 3}-based heterostructures with atomically smooth surfaces, fabricated on SrTiO{sub 3} substrates by the (Sr,Ba)SnO{sub 3} buffer technique. Indeed, modulation of band profiles at the channel interfaces with the insertion of wide bandgap (Sr,Ba)SnO{sub 3} as a barrier layer results in a significant improvement of field-effect mobility, implying effective carrier doping at the regulated heterointerface. These results provide an important step towards realization of high-performance BaSnO{sub 3}-based field-effect transistors.

  20. Growth and interface engineering in thin-film Ba0.6Sr0.4TiO3 /SrMoO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Radetinac, Aldin; Ziegler, Jürgen; Vafaee, Mehran; Alff, Lambert; Komissinskiy, Philipp

    2017-04-01

    Epitaxial heterostructures of ferroelectric Ba0.6Sr0.4TiO3 and highly conducting SrMoO3 were grown by pulsed laser deposition on SrTiO3 (0 0 1) substrates. Surface oxidation of the SrMoO3 film is suppressed using a thin cap interlayer of Ba0.6Sr0.4TiO3-δ grown in reduced atmosphere. As shown by X-ray photoelectron spectroscopy, the Mo4+ valence state of the SrMoO3 films is stable upon annealing of the sample in oxygen up to 600 °C. The described oxygen interface engineering enables utilization of the highly conducting material SrMoO3 in multilayer oxide ferroelectric varactors.

  1. Characterization of novel BaZnSnO thin films by solution process and applications in thin film transistors

    SciTech Connect

    Li, Jun; Huang, Chuan-Xin; Zhang, Jian-Hua; Zhu, Wen-Qing; Jiang, Xue-Yin; Zhang, Zhi-Lin

    2015-08-15

    Graphical abstract: This work reports the Ba content on thin film transistor based on a novel BaZnSnO semiconductor using solution process. - Highlights: • No reports about BaZnSnO thin film using solution process. • BaZnSnO thin film transistor (TFT) was firstly fabricated. • BaZnSnO-TFT shows a acceptable performace. • Influence of Ba content on BaZnSnO-TFT. - Abstract: A novel BaZnSnO semiconductor is fabricated using solution process and the influence of Ba addition on the structure, the chemical state of oxygen and electrical performance of BaZnSnO thin films are investigated. A high performance BaZnSnO-based thin film transistor with 15 mol% Ba is obtained, showing a saturation mobility of 1.94 cm{sup 2}/V s, a threshold voltage of 3.6 V, an on/off current ratio of 6.2 × 10{sup 6}, a subthreshold swing of 0.94 V/decade, and a good bias stability. Transistors with solution processed BaZnSnO films are promising candidates for the development of future large-area, low-cost and high-performance electronic devices.

  2. Petrogenesis and Tectonic Implications for High Ba-Sr Porphyries from South Qinling Oroganic Belt, China

    NASA Astrophysics Data System (ADS)

    Zhang, H. F.; Luo, B. J.; Shen, L. M.; Liu, Y.

    2014-12-01

    The Qinling orgenic belt resulted from collision between the North China plate and the Yangtze blocks during Triassic. In the South Qinling orogenic belt, there are lots of small porphyry bodies with area <0.5 km2. These porphyry bodies consist mainly of granodiorite porphyries in petrography. They are closely related to Cu, Mo, Au and Fe mineralization. In this presentation, we carry out an integrated study of LA-ICP-MS zircon U-Pb dating, geochemical and Sr-Nd-Hf isotopic compositions for the porphyry bodies. U-Pb zircon dating shows that they have magma crystallization ages of 145~150 Ma.They are high-potassium calc-alkaline, characterized by high Sr (up to 1300 ppm) and Ba (up to 5000 ppm). Rear earth element data for the porphyries display moderately fractionated REE patterns with (La/Yb)N=9~26 and Eu/Eu*=0.8~1.0. Geochemical characteristics of the granodiorite porphyries are good consistent with high Ba-Sr granitoids [1,2]. These granodiorite porphyries have whole-rock initial 87Sr/86Sr ratios ranging from 0.7046 to 0.7075, ɛNd (t) values ranging from - 4.6 to - 2.5, and zircon ɛHf(t) values ranging from - 2.2 to +0.8. We suggest that their magma was derived from partial melting of enriched mantle sources. The strong enrichment of Sr and Ba imply that the mantle sources could be metasomatized by fluid or melt released from subducting slab (including sediments) due to previous subduction of the Ma-Lue ocean slab at the south of the South Qinling orogenic belt. Lithospheric delamination at ~150 Ma can account for their magma generation for the porphyries. References [1] Fowler M B, Henney P J, Darbyshire D, et al. Petrogenesis of high Ba-Sr granites: the Rogart pluton, Sutherland. Journal of the Geological Society. 2001, 158: 521-534. [2] Choi S G, Rajesh V J, Seo J, et al. Petrology, geochronology and tectonic implications of Mesozoic high Ba-Sr granites in the Haemi area, Hongseong Belt, South Korea. Island Arc. 2009, 18: 266-281.

  3. Ca, Sr and Ba stable isotopes reveal the fate of soil nutrients along a tropical climosequence

    USGS Publications Warehouse

    Bullen, Thomas D.; Chadwick, Oliver A.

    2016-01-01

    Nutrient biolifting is an important pedogenic process in which plant roots obtain inorganic nutrients such as phosphorus (P) and calcium (Ca) from minerals at depth and concentrate those nutrients at the surface. Here we use soil chemistry and stable isotopes of the alkaline earth elements Ca, strontium (Sr) and barium (Ba) to test the hypothesis that biolifting of P has been an important pedogenic process across a soil climosequence developed on volcanic deposits at Kohala Mountain, Hawaii. The geochemical linkage between these elements is revealed as generally positive site-specific relationships in soil mass gains and losses, particularly for P, Ba and Ca, using the ratio of immobile elements titanium and niobium (Ti/Nb) to link individual soil samples to a restricted compositional range of the chemically and isotopically diverse volcanic parent materials. At sites where P is enriched in surface soils relative to abundances in deeper soils, the isotope compositions of exchangeable Ca, Sr and Ba in the shallowest soil horizons (< 10 cm depth) are lighter than those of the volcanic parent materials and trend toward those of plants growing on fresh volcanic deposits. In contrast the isotope composition of exchangeable Ba in deeper soil horizons (> 10 cm depth) at those sites is consistently heavier than the volcanic parent materials. The isotope compositions of exchangeable Ca and Sr trend toward heavier compositions with depth more gradually, reflecting increasing leakiness from these soils in the order Ba < Sr < Ca and downward transfer of light biocycled Ca and Sr to deeper exchange sites. Given the long-term stability of ecosystem properties at the sites where P is enriched in surface soils, a simple box model demonstrates that persistence of isotopically light exchangeable Ca, Sr and Ba in the shallowest soil horizons requires that the uptake flux to plants from those near-surface layers is less than the recycling flux returned to the surface as

  4. Clathrate formation in the systems Sr–Cu–Ge and (Ba,Sr)–Cu–Ge

    SciTech Connect

    Zeiringer, I.; Moser, R.; Kneidinger, F.; Podloucky, R.; Royanian, E.; Grytsiv, A.; Bauer, E.; Giester, G.; Falmbigl, M.; Rogl, P.

    2014-09-15

    In the ternary system Sr–Cu–Ge, a novel clathrate type-I phase was detected, Sr{sub 8}Cu{sub x}Ge{sub 46−x} (5.2≤x<5.4), which exists close to the Zintl limit in a small temperature interval. Sr{sub 8}Cu{sub 5.3}Ge{sub 40.7} decomposes eutectoidally on cooling at 730±3 °C into (Ge), SrGe{sub 2} and τ{sub 1}-SrCu{sub 2−x}Ge{sub 2+x}. Phase equilibria at 700 °C have been established for the Ge rich part and are characterized by the appearance of only one ternary compound, τ{sub 1}-SrCu{sub 2−x}Ge{sub 2+x}, which crystallizes with the ThCr{sub 2}Si{sub 2} structure type and forms a homogeneity range up to x=0.4 (a=0.42850(4), c=1.0370(1) nm). Additionally, the extent of the clathrate type-I solid solution Ba{sub 8−y}Sr{sub y}Cu{sub x}Ge{sub 46−x} (0≤y≤∼5.6; 5.2≤x≤5.4, from as cast alloys) has been studied at various temperatures. The clathrate type-I crystal structure (space group Pm3{sup ¯}n) has been proven by X-ray single crystal diffraction on two single crystals with the composition (from refinement): Sr{sub 8}Cu{sub 5.36}Ge{sub 40.64} (a=1.06368(2) nm at 300 K) and Ba{sub 4.86}Sr{sub 3.14}Cu{sub 5.36}Ge{sub 40.64} (a=1.06748(2) nm at 300 K) measured at 300, 200 and 100 K. From the temperature dependence of the lattice parameters and the atomic displacement parameters, thermal expansion coefficients, Debye- and Einstein-temperatures and the speed of sound have been determined. From heat capacity measurements of Sr{sub 8}Cu{sub 5.3}Ge{sub 40.7} at low temperatures the Sommerfeld coefficient (γ=24 mJ/mol K{sup 2}) and the Debye temperature (Θ{sub D}{sup LT}=273 K) have been extracted. From a detailed analysis of these data at higher temperatures, Einstein branches of the phonon dispersion relation have been derived and compared to those obtained from the atomic displacement parameters. Electrical resistivity measurements of Sr{sub 8}Cu{sub 5.3}Ge{sub 40.7} reveal a rather metallic behavior in the low temperature range (<300 K

  5. Zn location in the W-type hexagonal ferrite SrZnCoFe16O27.

    PubMed

    Graetsch, Heribert A

    2002-11-01

    The title compound, SrZnCoFe(16)O(27) (ZnCo-W), strontium zinc cobalt hexadecairon oxide, crystallizes in space group P6(3)/mmc, with the Sr atom at a site with -6 m 2 symmetry and Zn(2+) located at two tetrahedral sites (4e and 4f, each with 3m symmetry) of the spinel blocks. The Zn occupancy is 36% on equipoint 4e and 14% on 4f. The enrichment of diamagnetic ions on one of seven sublattices is thought to be responsible for the high temperature dependence of the saturation magnetization.

  6. Pressure driven ferroelectric to paraelectric transition in Sr doped BaTiO{sub 3}

    SciTech Connect

    Basu, Abhisek Jana, Rajesh; Mandal, Guruprasad; Mukherjee, Goutam Dev; Chandra, Amreesh

    2015-02-07

    High pressure Raman spectroscopy, X-ray diffraction, and dielectric measurements have been carried out in Ba{sub 1−x}Sr{sub x}TiO{sub 3} (x = 0.05 and 0.1). Detailed structural analysis revealed a single phase transition from tetragonal P4mm to cubic Pm3m symmetry. Increase in Sr ion concentration resulted in decrease in the phase transition pressure. The dielectric measurements showed considerable lowering of transition pressure which has been attributed to bulk behaviour of the material.

  7. Numerical solutions of anharmonic vibration of BaO and SrO molecules

    SciTech Connect

    Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda; Sumaryada, Tony

    2016-03-11

    The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function’s profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potential solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.

  8. Magnetic properties of Ba- and Sr-hexaferrite prepared by mechanical alloying

    NASA Astrophysics Data System (ADS)

    Ding, J.; Street, R.; Nishio, H.

    1996-12-01

    Samples of Ba- and Sr-hexaferrite were prepared by mechanical alloying and subsequent heat treatment were found to consist of single domain particles of the single hexaferrite phase. The particles had a wide distribution of anisotropy fields. Study of irreversible magnetisation suggested, that the demagnetisation process is mainly controlled by the Wohlfarth rotation. It was deduced from the results of measurements of magnetic viscosity, that the activation volume was of same order of magnitude as the cube of the domain wall thickness.

  9. Petrogenesis of Post-collisional high Ba-Sr granitoids: the Solarya Pluton, NW Turkey

    NASA Astrophysics Data System (ADS)

    Unal, Alp; Kamaci, Omer; Altunkaynak, Safak

    2015-04-01

    In NW Turkey, the Late Oligocene-Early Miocene phase of post-collisional magmatism is characterized by widespread granitic pluton emplacements straddling the continental collision zone marked by the Izmir-Ankara suture zone (IASZ). This granitic magmatism produced both low Ba-Sr- and high Ba-Sr granitoids with distinct geochemical properties. One of the major plutons emplaced to the north of İzmir-Ankara suture zone, the Solarya pluton is representative of high Ba-Sr granitoids. We present here whole-rock chemical and Sr-Nd-Pb-O isotopic compositions, as well as 40Ar/39Ar ages of the Solarya pluton to evaluate the timing, nature and genesis of potassic, high Ba-Sr granites. The Solarya pluton consists of three coeval granitic members (K-Feldspar megacrystalline granodiorite, fine grained granodiorite and haplogranite) and associated mafic magmatic enclaves/dykes of gabbroic diorite to dioritic in composition. K-feldspar megacrystalline granodiorite, fine grained granodiorite and haplogranite are high K calc-alkaline in character whereas low silica mafic magmatic enclaves and dykes are mildly alkaline and display shoshonitic affinity. Both granitic members and mafic enclaves/dykes are characterized by high Ba (710-2489 ppm), Sr (305-708ppm), low Y and HREE contents and lack of significant negative Eu anomalies. They are metaluminous and display enrichment in LILE and depletion in P, Ta, Nb and Ti. Sr-Nd-Pb and O isotope compositions of mafic enclaves and dykes are similar to their host granitoids. They have initial 87Sr/86Sr values of 0.70702- 0.70805 and 143Nd/144Nd values of 0.51235-0.51250 and their ɛNd values range between -4,9 and -2,05. 206Pb/204Pb and 207Pb/204 Pb isotopic values vary from 18,75 to 18,88 and 15,68 to 15,73, respectivelly. Whole rock and quartz 18O isotopic ratios range between 8 and 10,6. All these isotopic characteristics and major-trace element compositions of Solarya pluton and associated mafic enclaves/dykes suggest a subcontinental

  10. A first principles study on newly proposed (Ca/Sr/Ba)Fe2Bi2 compounds with their parent compounds

    NASA Astrophysics Data System (ADS)

    Sundareswari, M.; Jayalakshmi, D. S.; Viswanathan, E.

    2016-02-01

    The structural, electronic, bonding and magnetic properties of newly proposed iron-based compounds viz., CaFe2Bi2, SrFe2Bi2, BaFe2Bi2 with their Fermi surface topology are reported here for the first time by means of first principles calculation. All these properties of newly proposed compounds are compared and analysed along with their respective parent compounds namely (Ca,Sr,Ba)Fe2As2.

  11. Ontogenetic variations in Sr/Ca and Ba/Ca ratios of dental bioapatites from Bos taurus and Odocoileus virginianus.

    PubMed

    Peek, Stephanie; Clementz, Mark T

    2012-10-01

    Sr/Ca and Ba/Ca ratios of bone are commonly used as biochemical indicators of trophic level in modern and fossil mammals. Concerns over the effects of diagenesis on Sr/Ca and Ba/Ca ratios of bone led archaeologists and paleontologists to favor tooth enamel, which is less prone to alteration. Sr/Ca and Ba/Ca ratios of bone, enamel, and dentin from three farm-raised steers (Bos taurus) and five wild white-tailed deer (Odocoileus virginianus) from central Missouri were compared. Our results show that changes in diet, discrimination, and growth rate during ontogeny can lead to significant differences in Sr/Ca and Ba/Ca ratios of different bioapatite types as well as significant differences within the same bioapatite forming at different times. Early- and late-forming tooth enamel can have significant differences in Sr/Ca and Ba/Ca ratios equivalent to almost one full trophic step. Although differences between early- and late-forming dentin are typically not significant, dentin Sr/Ca and Ba/Ca ratios are significantly greater than enamel values. This difference in Sr/Ca or Ba/Ca ratios between enamel and dentin from the same tooth can be greater than one full trophic step. These results have profound implications for the use of dental bioapatites in trophic level reconstructions. They highlight the importance of consistency in bioapatite selection, tooth selection, and relative location of sampling within the enamel cap. Furthermore, this expected difference in Sr/Ca and Ba/Ca ratios could be used as another means of checking for diagenetic alteration in ancient samples. Copyright © 2012 Elsevier GmbH. All rights reserved.

  12. Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3 with a Semi-Empirical Effective Hamiltonian

    NASA Astrophysics Data System (ADS)

    Nishimatsu, Takeshi; Grünebohm, Anna; Waghmare, Umesh V.; Kubo, Momoji

    2016-11-01

    We present a semi-empirical effective Hamiltonian to capture effects of disorder associated with Ba and Sr cations occupying A sites in (BaxSr1-x)TiO3 on its ferroelectric phase transition. Averaging between the parameters of first-principles effective Hamiltonians of end members BaTiO3 and SrTiO3, we include a term with an empirical parameter to capture the local polarization and strains arising from the difference between ionic radii of Ba and Sr. Using mixed-space molecular dynamics of the effective Hamiltonian, we determine T-dependent ferroelectric phase transitions in (BaxSr1-x)TiO3 which are in good agreement with experiment. Our scheme of determination of semi-empirical parameters in effective Hamiltonian should be applicable to other perovskite-type ferroelectric solid solutions.

  13. Diffusion of Zr, Ru, Ce, Y, La, Sr and Ba fission products in UO2

    NASA Astrophysics Data System (ADS)

    Perriot, R.; Liu, X.-Y.; Stanek, C. R.; Andersson, D. A.

    2015-04-01

    The diffusivity of the solid fission products (FP) Zr (Zr4+), Ru (Ru4+, Ru3+), Ce (Ce4+), Y (Y3+), La (La3+), Sr (Sr2+) and Ba (Ba2+) by a vacancy mechanism has been calculated, using a combination of density functional theory (DFT) and empirical potential (EP) calculations. The activation energies for the solid fission products are compared to the activation energy for Xe fission gas atoms calculated previously. Apart from Ru, the solid fission products all exhibit higher activation energy than Xe. For all solid FPs except Y3+, the migration of the FP has lower barrier than the migration of a neighboring U atom, making the latter the rate limiting step for direct migration. An indirect mechanism, consisting of two successive migrations around the FP, is also investigated. The calculated diffusivities show that most solid fission products diffuse with rates similar to U self-diffusion. However, Ru, Ba and Sr exhibit faster diffusion than the other solid FPs, with Ru3+ and Ru4+ diffusing even faster than Xe for T < 1200 K. The diffusivities correlate with the observed fission product solubility in UO2, and the tendency to form metallic and oxide second phase inclusions.

  14. Mechanochemical synthesis of MgF2 - MF2 composite systems (M = Ca, Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Scholz, G.; Breitfeld, S.; Krahl, T.; Düvel, A.; Heitjans, P.; Kemnitz, E.

    2015-12-01

    The capability of mechanochemical synthesis for the formation of MgF2-MF2 (M: Ca, Sr, Ba) composites, solid solutions or well-defined compounds was tested applying a fluorination of different fluorine-free metal sources with NH4F directly at milling. No evidence was found for a substitution of Mg2+ with Ca2+ (Sr2+, Ba2+) ions, or vice versa, in rutile or fluorite structure. However, an equimolar ratio of Mg2+ to the second cation allows the mechanochemical synthesis of tetrafluoromagnesates, MMgF4, which is more and more hampered the smaller the radius of the cation M2+ is. BaMgF4 is formed even phase pure from the acetates, SrMgF4 can only be observed in a mixture accompanied by the binary fluorides. In addition, 19F MAS NMR spectra along with calculations of 19F isotropic chemical shift values according to the superposition model point to the formation of a metastable phase of CaMgF4, which disappears at thermal treatment and decomposes into the binary fluorides CaF2 and MgF2.

  15. Sr, Ba and Cd arsenates with the apatite-type structure.

    PubMed

    Dordević, Tamara; Sutović, Sabina; Stojanović, Jovica; Karanović, Ljiljana

    2008-09-01

    X-ray diffraction analysis of single crystals of three new arsenates adopting apatite-type structures yielded formula Sr(5)(AsO(4))(3)F for strontium arsenate fluoride, (I), (Sr(1.66)Ba(0.34))(Ba(2.61)Sr(0.39))(AsO(4))(3)Cl for strontium barium arsenate chloride, (II), and Cd(5)(AsO(4))(3)Cl(0.58)(OH)(0.42) for cadmium arsenate hydroxide chloride, (III). All three structures are built up of isolated slightly distorted AsO(4) tetrahedra that are bridged by Sr(2+) in (I), by Sr(2+)/Ba(2+) in (II) and by Cd(2+) in (III). Compounds (I) and (II) represent typical fluorapatites and chlorapatites, respectively, with F(-) at the 2a (0, 0, {1/4}) site and Cl(-) at the 2b (0, 0, 0) site of P6(3)/m. In contrast, in (III), due to the requirement that the smaller Cd(2+) cation is positioned closer to the channel Cl(-) anion (partially substituted by OH(-)), the anion occupies the unusual 2a (0, 0, {1/4}) site. Therefore, Cl(-) is similar to F(-) in (I), coordinated by three A2 cations, unlike the octahedrally coordinated Cl(-) in (II) and other ordinary chlorapatites. Furthermore, in (III), using FT-IR studies, we have inferred the existence of H(+) outside the channel in oxyhydroxyapatites and provided possible atomic coordinates for a H atom in HAsO(4)(2-), leading to a proposed formulation of the compound as Cd(5)(AsO(4))(3-x)(HAsO(4))(x)Cl(0.58)(OH)(0.42-x-(y/2))O(x+(y/2))(y/2).

  16. Anomalous Orange Light-Emitting (Sr,Ba)2SiO4:Eu(2+) Phosphors for Warm White LEDs.

    PubMed

    Wen, Dawei; Kuwahara, Hiroki; Kato, Hideki; Kobayashi, Makoto; Sato, Yasushi; Masaki, Takaki; Kakihana, Masato

    2016-05-11

    Phosphors with sufficient red emission component are necessary for warm white light-emitting diodes. In this work on (Sr,Ba)2(1-x)Eu2xSiO4 phosphors, (Sr,Ba)1.5Eu0.5SiO4 achieved 75% of an internal quantum efficiency under excitation by blue light. Surprisingly, the (Sr,Ba)1.5Eu0.5SiO4 exhibited orange emission, against the well-known traditional green-yellow emission of (Sr,Ba)2SiO4:Eu(2+). Moreover, the concentration quenching of Eu(2+) in (Sr,Ba)2SiO4 was abnormally unobvious. With the help of calculations based on the density functional theory, it was discovered that the distinct local environment of luminescence centers rather than usual explanation such as self-absorption or intensified crystal field splitting, is responsible to the interesting red shifts in excitation and emission spectra. The refinement analysis based on X-ray diffraction revealed that the unequal distribution of Eu(2+) to two crystallographic sites caused low concentration of Eu(2+) at the 9-coordination site, inhibiting the concentration quenching. The (Sr,Ba)1.5Eu0.5SiO4 phosphor has warmer emission than the commercial Y3Al5O12:Ce(3+). This study also promotes research on the effect of site occupancy and the local environment of luminescence centers.

  17. Crystallization and properties of Sr-Ba aluminosilicate glass-ceramic matrices

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Hyatt, Mark J.; Drummond, Charles H., III

    1991-01-01

    Powders of roller quenched (Sr,Ba)O-Al2O3-2SiO2 glasses of various compositions were uniaxially pressed into bars and hot isostatically pressed at 1350 C for 4 hours or cold isostatically pressed and sintered at different temperatures between 800 to 1500 C for 10 or 20 hours. Densities, flexural strengths, and linear thermal expansion were measured for three compositions. The glass transition and crystallization temperatures were determined by Differential Scanning Calorimetry (DSC). The liquidus and crystallization temperature from the melt were measured using high temperature Differential Thermal Analysis (DTA). Crystalline phases formed on heat treatment of the glasses were identified by powder X ray diffraction. In Sr containing glasses, the monoclinic celsian phase always crystallized at temperatures above 1000 C. At lower temperatures, the hexagonal analog formed. The temperature for orthorhombic to hexagonal structural transformation increased monotonically with SrO content, from 327 C for BaO-Al2O3-2SiO2 to 758 C for SrO-Al2O3-2SiO2. These glass powders can be sintered to almost full densities and monoclinic celsian phase at a relatively low temperature of 1100 C.

  18. Crystallization and properties of Sr-Ba aluminosilicate glass-ceramic matrices

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Hyatt, Mark J.; Drummond, Charles H., III

    1991-01-01

    Powders of roller quenched (Sr,Ba)O-Al2O3-2SiO2 glasses of various compositions were uniaxially pressed into bars and hot isostatically pressed at 1350 C for 4 hours or cold isostatically pressed and sintered at different temperatures between 800 to 1500 C for 10 or 20 hours. Densities, flexural strengths, and linear thermal expansion were measured for three compositions. The glasss transition and crystallization temperatures were determined by Differential Scanning Calorimetry (DSC). The liquidus and crystallization temperature from the melt were measured using high temperature Differential Thermal Analysis (DTA). Crystalline phases formed on heat treatment of the glasses were identified by powder x ray diffraction. In Sr containing glasses, the monoclinic celsian phase always crystallized at temperatures above 1000 C. At lower temperatures, the hexagonal analog formed. The temperature for orthorhombic to hexagonal structure transformation increased monotonically with SrO content, from 327 C for BaO-Al2O3-2SiO2 to 758 C for SrO-Al2O3-2SiO2. These glass powders can be sintered to almost full densities and monoclinic celsian phase at a relatively low temperature of 1100 C.

  19. Crystallization and properties of Sr-Ba aluminosilicate glass-ceramic matrices

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Hyatt, Mark J.; Drummond, Charles H., III

    1991-01-01

    Powders of roller quenched (Sr,Ba)O-Al2O3-2SiO2 glasses of various compositions were uniaxially pressed into bars and hot isostatically pressed at 1350 C for 4 hours or cold isostatically pressed and sintered at different temperatures between 800 to 1500 C for 10 or 20 hours. Densities, flexural strengths, and linear thermal expansion were measured for three compositions. The glass transition and crystallization temperatures were determined by Differential Scanning Calorimetry (DSC). The liquidus and crystallization temperature from the melt were measured using high temperature Differential Thermal Analysis (DTA). Crystalline phases formed on heat treatment of the glasses were identified by powder X ray diffraction. In Sr containing glasses, the monoclinic celsian phase always crystallized at temperatures above 1000 C. At lower temperatures, the hexagonal analog formed. The temperature for orthorhombic to hexagonal structural transformation increased monotonically with SrO content, from 327 C for BaO-Al2O3-2SiO2 to 758 C for SrO-Al2O3-2SiO2. These glass powders can be sintered to almost full densities and monoclinic celsian phase at a relatively low temperature of 1100 C.

  20. Diamagnetism to ferromagnetism in Sr-substituted epitaxial BaTiO3 thin films

    NASA Astrophysics Data System (ADS)

    Singamaneni, Srinivasa Rao; Punugupati, Sandhyarani; Prater, John T.; Narayan, Jagdish

    2016-04-01

    We report on the ferromagnetic-like behavior in otherwise diamagnetic BaTiO3 (BTO) thin films upon doping with non-magnetic element Sr having the composition Ba0.4Sr0.6TiO3 (BST). The epitaxial integration of BST (˜800 nm) thick films on Si (100) substrate was achieved using MgO (40 nm) and TiN (20 nm) as buffer layers to prepare BST/MgO/TiN/Si (100) heterostructure by pulsed laser deposition. The c-axis oriented and cube-on-cube epitaxial BST is formed on Si (100) as evidenced by the in-plane and out-of-plane X-ray diffraction. All the deposited films are relaxed through domain matching epitaxy paradigm as observed from X-ray diffraction pattern and A1TO3 mode (at 521.27 cm-1) of Raman spectra. As-deposited BST thin films reveal ferromagnetic-like properties, which persist up to 400 K. The magnetization decreases two-fold upon oxygen annealing. In contrast, as-deposited un-doped BTO films show diamagnetism. Electron spin resonance measurements reveal no evidence of external magnetic impurities. XRD and X-ray photoelectron spectroscopy spectra show significant changes influenced by Sr doping in BTO. The ferromagnetic-like behavior in BST could be due to the trapped electron donors from oxygen vacancies resulting from Sr-doping.

  1. Determination of Sr and Ba partition coefficients between apatite from fish ( Sparus aurata) and seawater: The influence of temperature

    NASA Astrophysics Data System (ADS)

    Balter, Vincent; Lécuyer, Christophe

    2010-06-01

    The Sr/Ca and Ba/Ca ratios in inorganic apatite are strongly dependent on the temperature of the aqueous medium during precipitation. If valid in biogenic apatite, these thermometers would offer the advantage of being more resistant to diagenesis than those calibrated on biogenic calcite and aragonite. We have reared seabreams ( Sparus aurata) in tanks with controlled conditions during experiments lasting for more than 2 years at 13, 17, 23 and 27 °C, in order to determine the variations in Sr and Ba partitioning relative to Ca ( DSr and DBa, respectively) between seawater and fish apatitic hard tissues (i.e. teeth and bones), as a function of temperature. The sensitivity of the Sr and Ba thermometers (i.e. ∂ DSr/∂ T and ∂ DBa/∂ T, respectively), are similar in bone ( ∂Db-wSr/∂ T = 0.0036 ± 0.0003 and ∂Db-wBa/∂ T = 0.0134 ± 0.0026, respectively) and enamel ( ∂De-wSr/∂ T = 0.0037 ± 0.0005 and ∂De-wBa/∂ T = 0.0107 ± 0.0026, respectively). The positive values of ∂ DSr/∂ T and ∂ DBa/∂ T in bone and enamel indicate that DSr and DBa increase with increasing temperature, a pattern opposite to that observed for inorganic apatite. This distinct thermodependent trace element partitioning between inorganic and organic apatite and water highlights the contradictory effects of the crystal-chemical and biological controls on the partitioning of Ca, Sr and Ba in vertebrate organisms. Taking into account the diet Sr/Ca and Ba/Ca values, it is shown that the bone Ba/Ca signature of fish can be explained by Ca-biopurification and inorganic apatite precipitation, whereas both of these processes fail to predict the bone Sr/Ca values. Therefore, the metabolism of Ca as a function of temperature still needs to be fully understood. However, the biogenic Sr thermometer is used to calculate an average seawater temperature of 30.6 °C using the Sr/Ca compositions of fossil shark teeth at the Cretaceous/Tertiary boundary, and a typical seawater Sr

  2. Crystal Fabrics and Element Impurities (Sr, Mg, Ba) in Bivalve Shells - Implications for Paleoclimate Reconstructions

    NASA Astrophysics Data System (ADS)

    Schone, B. R.; Radermacher, P.; Zhang, Z.; Holland, H. A.

    2011-12-01

    Sr/Ca, Mg/Ca and Ba/Ca values are heterogeneously distributed in shells of the long-lived bivalve mollusk, Arctica islandica. These pattern are largely associated with crystal fabrics (size, habit and orientation of crystals) or the processes controlling them. The outer sublayer of the outer shell layer (oOSL; homogeneous and irregular simple prismatic crystal fabrics,) contained element/Ca values up to 62% higher than the inner sublayer (iOSL; crossed-acicular, crossed-lamellar, fine crossed-lamellar and irregular simple prismatic crystal fabrics). A gradual decrease in Sr/Ca and Mg/Ca values was observed from the outer portions of the oOSL toward the oOSL/iOSL transition zone. This chemical shift was accompanied by a gradual transition from homogeneous crystal fabrics into crossed-lamellar/acicular crystal fabrics. Near annual growth lines (irregular simple prisms), i.e., during periods of slow growth, Sr and Mg seemed to be deposited in equilibrium with the ambient environment because the Sr/Ca and Mg/Ca values approached values typical for seawater. During the remainder of the growing season, Sr/Ca and Mg/Ca remained far below values expected for thermodynamic equilibrium. Ba/Ca peaks, however, occurred erratically at different times of the year without any noticeable changes in crystal fabrics. Likely, the environmental information contained in these peaks was less severely filtered by vital effects than in Sr and Mg. The findings of the present study can help to develop new techniques with which extract environmental signals from the metal-to-calcium ratios of bivalve shells.

  3. The low Sr/Ba ratio on some extremely metal-poor stars

    NASA Astrophysics Data System (ADS)

    Spite, M.; Spite, F.; Bonifacio, P.; Caffau, E.; François, P.; Sbordone, L.

    2014-11-01

    Context. It has been noted that, in classical extremely metal-poor (EMP) stars, the abundance ratio of two well-observed neutron-capture elements, Sr and Ba, is always higher than [Sr/Ba] = -0.5, which is the value of the solar r-only process; however, a handful of EMP stars have recently been found with a very low Sr/Ba ratio. Aims: We try to understand the origin of this anomaly by comparing the abundance pattern of the elements in these stars and in the classical EMP stars. Methods: For a rigorous comparison with previous data, four stars with very low Sr/Ba ratios were observed and analyzed in the same way as in the First Stars program: analysis within LTE approximation through 1D (hydrostatic) model atmosphere, providing homogeneous abundances of nine neutron-capture elements. Results: In CS 22950-173, the only turnoff star of the sample, the Sr/Ba ratio is, in fact, found to be higher than the r-only solar ratio, so the star is discarded. The remaining stars (CS 29493-090, CS 30322-023, HE 305-4520) are cool evolved giants. They do not present a clear carbon enrichment, but in evolved giants C is partly burned into N, and owing to their high N abundance, they could still have initially been carbon-rich EMP stars (CEMP). The abundances of Na to Mg present similar anomalies to those in CEMP stars. The abundance patterns of the neutron-capture elements in the three stars are strikingly similar to a theoretical s-process pattern. This pattern could at first be attributed to pollution by a nearby AGB, but none of the stars presents a clear variation in the radial velocity indicating the presence of a companion. The stellar parameters seem to exclude any internal pollution in a TP-AGB phase for at least two of these stars. The possibility that the stars are early-AGB stars polluted during the core He flash does not seem compatible with the theory. Based on observations obtained with the ESO Very Large Telescope at Paranal Observatory, Chile (ID 077.D-0299(A) PI

  4. The structural and physical properties of Ba(1-x)Sr(x)Fe(2)As(2) (0 ≤ x ≤ 1) and Ba(1-x)Sr(x)Fe(1.8)Co(0.2)As(2) (0 ≤ x ≤ 1).

    PubMed

    Wang, Zhiwei; Yang, Huaixin; Ma, Chao; Tian, Huanfang; Shi, Honglong; Lu, Jiangbo; Zeng, Lunjie; Li, Jianqi

    2009-12-02

    Polycrystalline samples of Ba(1-x)Sr(x)Fe(2)As(2) (0≤x≤1) and Ba(1-x)Sr(x)Fe(1.8)Co(0.2)As(2) (0≤x≤1) have been synthesized by a solid state reaction method. Structural analysis by means of x-ray diffraction shows that the lattice parameters and unit cell volume decrease monotonically with the increase of x for Ba(1-x)Sr(x)Fe(2)As(2). The measurements of transport properties demonstrate that the average size of the Ba(Sr)-site cations could evidently influence the spin density wave (SDW) behavior in Ba(1-x)Sr(x)Fe(2)As(2) and superconductivity in Ba(1-x)Sr(x)Fe(1.8)Co(0.2)As(2) as well. The critical temperature for SDW (T(SDW)) increases with the Sr substitution for Ba in Ba(1-x)Sr(x)Fe(2)As(2) and, on the other hand, the superconducting T(c) decreases with the increase of Sr content in Ba(1-x)Sr(x)Fe(1.8)Co(0.2)As(2). The inhomogeneous distributions of Ba/Sr ions and structural distortions in Ba(0.5)Sr(0.5)Fe(2)As(2) have been investigated by transmission-electron microscopy (TEM) observations.

  5. Optical and impedance studies of pure and Ba-doped ZnS quantum dots

    NASA Astrophysics Data System (ADS)

    Firdous, Arfat; Baba, M. Aslam; Singh, D.; Bhat, Abdul Hamid

    2015-02-01

    Chemical precipitation method using a high-boiling solvent is used to synthesize ZnS and Ba-doped ZnS quantum dots. The presence of organic ligands in the prepared nanostructures is verified using Fourier transform infra-red spectroscopic studies. The samples have been analysed using X-ray diffraction analysis confirming nanocrystallinity of the as-prepared quantum dots (QD). The mean crystal size obtained by full width half maxima analysis is 3.2 nm for ZnS and 3.9, 4.2 nm for ZnS:Ba (2, 4 mM). TEM micrographs also reveal nanosized particles of ZnS and Ba-doped ZnS. An optical absorption study conducted in UV-Vis range 150-600 nm reveals the transparency of these quantum dots in entire visible range but not in ultraviolet range. The results based on optical analysis yield band gap values as 4.88 eV for ZnS and 4.69, 4.43 eV for ZnS:Ba (2, 4 mM) quantum dots. Impedance analysis of the samples was carried out to reveal the variation of impedance with frequency at room temperature. These results show the capacitive admittance associated with the quantum dots and hence nanostructure ZnS and Ba-doped ZnS can have potential applications in electronics as nano-tuned devices in which resonant frequency can be adjusted by controlling the size and shape of the quantum dots.

  6. Development of biodegradable Zn-1X binary alloys with nutrient alloying elements Mg, Ca and Sr.

    PubMed

    Li, H F; Xie, X H; Zheng, Y F; Cong, Y; Zhou, F Y; Qiu, K J; Wang, X; Chen, S H; Huang, L; Tian, L; Qin, L

    2015-05-29

    Biodegradable metals have attracted considerable attentions in recent years. Besides the early launched biodegradable Mg and Fe metals, Zn, an essential element with osteogenic potential of human body, is regarded and studied as a new kind of potential biodegradable metal quite recently. Unfortunately, pure Zn is soft, brittle and has low mechanical strength in the practice, which needs further improvement in order to meet the clinical requirements. On the other hand, the widely used industrial Zn-based alloys usually contain biotoxic elements (for instance, ZA series contain toxic Al elements up to 40 wt.%), which subsequently bring up biosafety concerns. In the present work, novel Zn-1X binary alloys, with the addition of nutrition elements Mg, Ca and Sr were designed (cast, rolled and extruded Zn-1Mg, Zn-1Ca and Zn-1Sr). Their microstructure and mechanical property, degradation and in vitro and in vivo biocompatibility were studied systematically. The results demonstrated that the Zn-1X (Mg, Ca and Sr) alloys have profoundly modified the mechanical properties and biocompatibility of pure Zn. Zn-1X (Mg, Ca and Sr) alloys showed great potential for use in a new generation of biodegradable implants, opening up a new avenue in the area of biodegradable metals.

  7. Development of biodegradable Zn-1X binary alloys with nutrient alloying elements Mg, Ca and Sr

    PubMed Central

    Li, H. F.; Xie, X. H.; Zheng, Y. F.; Cong, Y.; Zhou, F. Y.; Qiu, K. J.; Wang, X.; Chen, S. H.; Huang, L.; Tian, L.; Qin, L.

    2015-01-01

    Biodegradable metals have attracted considerable attentions in recent years. Besides the early launched biodegradable Mg and Fe metals, Zn, an essential element with osteogenic potential of human body, is regarded and studied as a new kind of potential biodegradable metal quite recently. Unfortunately, pure Zn is soft, brittle and has low mechanical strength in the practice, which needs further improvement in order to meet the clinical requirements. On the other hand, the widely used industrial Zn-based alloys usually contain biotoxic elements (for instance, ZA series contain toxic Al elements up to 40 wt.%), which subsequently bring up biosafety concerns. In the present work, novel Zn-1X binary alloys, with the addition of nutrition elements Mg, Ca and Sr were designed (cast, rolled and extruded Zn-1Mg, Zn-1Ca and Zn-1Sr). Their microstructure and mechanical property, degradation and in vitro and in vivo biocompatibility were studied systematically. The results demonstrated that the Zn-1X (Mg, Ca and Sr) alloys have profoundly modified the mechanical properties and biocompatibility of pure Zn. Zn-1X (Mg, Ca and Sr) alloys showed great potential for use in a new generation of biodegradable implants, opening up a new avenue in the area of biodegradable metals. PMID:26023878

  8. Thermoelectric Hexagonal A-Mg-Si with A = Sr and Ba Zintl Phases

    NASA Astrophysics Data System (ADS)

    Kajitani, T.; Takahashi, K.; Saito, M.; Suzuki, H.; Kikuchi, S.; Kubouchi, M.; Hayashi, K.

    2016-10-01

    Hexagonal A-Mg-Si with A = Sr and Ba Zintl phases are promising candidates for p-type magnesium silicides usable with n-Mg2Si under 900 K. We synthesized p-type A-Mg-Si Zintl phases by the spark plasma synthesis procedure. Mg2Si and Mg2A powders were mixed at the ratio of 1- x/ x with x = 0.3-0.4. Two-step synthesis was performed at 850 K for 20 min and 1100 K for 20 min under uniaxial pressure at 30 MPa. Sintered pellets exhibited a stable p-type thermoelectric property. These pellets consisted of several unknown phases. We found two semiconductor phases, namely A2Mg4Si3 and A2Mg12Si7. The crystal structures of the 2/4/3- and 2/12/7-phases were Pbar{6}2m (No. 189)- and P63 /m (No. 176)-types, respectively. Sr0.70Mg2Si, Ba3Mg10Si7 and Sr3Mg10Si7 phases are newly found and characterized by a single crystal diffraction study. Previously found Sr2Mg4Si3 single phase polycrystalline 30φ × 10 mm pellets were successfully synthesized. The thermoelectric performance of the Sr2Mg4Si3 single phase sample was tested. The pellets exhibit p-type behavior from room temperature to 700 K. The thermal conductivity, κ, was almost constant at 1.1 W/mK from 350 K to 700 K.

  9. Investigation of structural, mechanical, electronic, optical, and dynamical properties of cubic BaLiF3, BaLiH3, and SrLiH3

    NASA Astrophysics Data System (ADS)

    Yalcin, Battal G.; Salmankurt, Bahadır; Duman, Sıtkı

    2016-03-01

    The structural, mechanical, electronic, optical, and dynamical properties of BaLiF3, BaLiH3, and SrLiH3 cubic perovskite materials are theoretically investigated by using first principles calculations. Obtained results are in reasonable agreement with other available theoretical and experimental studies. The considered materials are found to be mechanically stable in the cubic structure. We found that all materials are brittle. The modified Becke-Johnson (mBJ) exchange potential has been used here to obtain an accurate band order. The calculated band-gap energy value of BaLiF3 (8.26 eV) within the mBJ potential agrees very well with the experimentally reported value of 8.41 eV. In order to have a deeper understanding of the bonding mechanism and the effect of atomic relaxation on the electronic band structure, the total and partial density of states have also been calculated. We have investigated the fundamental optical properties, such as the real ɛ 1(ω) and imaginary ɛ 2(ω) parts of the dielectric function, absorption coefficient α(ω), reflectivity R(ω), and refractive index n(ω) in the energy range from 0 to 40 eV within the mBJ potential. The band-gap energy obtained from the absorption spectrum is around 8.76, 3.99, and 3.31 eV for BaLiF3, BaLiH3, and SrLiH3 crystals, respectively. It should be noted that BaLiF3 could be a strong potential candidate as a laser material for the development of a vacuum-ultraviolet light emitting diode once direct transition is confirmed by experimental studies. Finally, we have calculated the lattice dynamical properties of BaLiF3, BaLiH3, SrLiH3, and SrLiF3 crystals. The full phonon dispersion curves of these materials are reported for the first time. Our results clearly indicate that the materials are dynamically stable, except for SrLiF3, in the cubic structure. The obtained zone-center phonon frequencies of BaLiF3, BaLiH3, and SrLiH3 accord very well with previous experimental measurements.

  10. Elemental intermixing within an ultrathin SrRuO3 electrode layer in epitaxial heterostructure BaTiO3/SrRuO3/SrTiO3

    NASA Astrophysics Data System (ADS)

    Zhang, H. B.; Qi, R. J.; Ding, N. F.; Huang, R.; Sun, L.; Duan, C. G.; Fisher, Craig A. J.; Chu, J. H.; Ikuhara, Y.

    2016-01-01

    Aberration corrected scanning transmission electron microscopy is used to directly observe atom columns in an epitaxial BaTiO3 thin film deposited on a 3.6 nm-thick SrRuO3 electrode layer above an SrTiO3 (001) substrate. Compositional gradients across the heterointerfaces were examined using electron energy-loss spectroscopy techniques. It was found that a small amount of Ba and Ti had diffused into the SrRuO3 layer, and that this layer contained a non-negligible concentration of oxygen vacancies. Such point defects are expected to degrade the electrode's electronic conductivity drastically, resulting in a much longer screening length. This may explain the discrepancy between experimental measurements and theoretical estimates of the ferroelectric critical thickness of a BaTiO3 ferroelectric barrier sandwiched between metallic SrRuO3 electrodes, since theoretical calculations generally assume ideal (stoichiometric) perovskite SrRuO3.

  11. High temperature crystal structures and superionic properties of SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2}

    SciTech Connect

    Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.

    2011-11-15

    The structural properties of the binary alkaline-earth halides SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2} have been investigated from ambient temperature up to close to their melting points, using the neutron powder diffraction technique. Fluorite-structured SrCl{sub 2} undergoes a gradual transition to a superionic phase at 900-1100 K, characterised by an increasing concentration of anion Frenkel defects. At a temperature of 920(3) K, the tetragonal phase of SrBr{sub 2} undergoes a first-order transition to a cubic fluorite phase. This high temperature phase shows the presence of extensive disorder within the anion sublattice, which differs from that found in superionic SrCl{sub 2}. BaCl{sub 2} and BaBr{sub 2} both adopt the cotunnite crystal structure under ambient conditions. BaCl{sub 2} undergoes a first-order structural transition at 917(5) K to a disordered fluorite-structured phase. The relationship between the (disordered) crystal structures and the ionic conductivity behaviour is discussed and the influence of the size of the mobile anion on the superionic behaviour is explored. - Graphical abstract: Anomalous behaviour of the lattice expansion of SrCl{sub 2} at temperatures of {approx}1000 K is associated with the gradual transition to a superionic phase, whilst SrBr{sub 2} undergoes a first-order structural transition ({beta}{yields}{alpha}) to a fluorite-structured superionic phase at 920(3) K. Highlights: > Anomalous behaviour of the lattice expansion of SrCl{sub 2} occurs at temperatures {approx}1000 K. > Crystal structure of {beta}-SrBr{sub 2} is described in detail. > On heating, SrBr{sub 2} and BaCl{sub 2} transform to a fluorite-structured superionic phase. > Temperature dependence of the BaCl{sub 2} and BaBr{sub 2} structures is presented. > Nature of the superionic phases within the alkaline-earth halides is discussed.

  12. Superconductivity and structure in La{sub 2{minus}x}M{sub x}CuO{sub 4}, M=Ba, Sr, and (Nd,Sr)

    SciTech Connect

    Moodenbaugh, A.R.

    2000-01-21

    The identification of charge stripes in La{sub 2{minus}x{minus}y}Nd{sub y}Sr{sub x}CuO{sub 4} (Nd-214) has reenergized research on the original high transition temperature {Tc} superconductor, La{sub 2{minus}x}Ba{sub x}CuO{sub 4} (Ba-214), and related compounds. Early in the study of Ba-214, a low temperature phase transition was associated with changes in electrical properties. An apparent suppression of {Tc} near Ba x=0.125, was initially associated with a first order low temperature phase transformation. However, it was later shown that only very near Ba x=0.125 was {Tc} reduced markedly, and that the relationship between crystal structure and {Tc} is more complicated. This review well describe the low temperature crystal structures and microstructures, as well as the superconducting properties as determined from low field (1-100G) dc magnetometer measurements for Ba-214, Nd-214, and La{sub 2{minus}x}Sr{sub x}CuO{sub 4} (Sr-214). The authors will also describe some work in the related La{sub 2{minus}x}Ca{sub x}CuO{sub 4} (Ca-214). A basic knowledge of the interactions among superconductivity and low temperature phases will allow one to better understand the significance of the underlying charge stripe phases.

  13. Two-Dimensional Massless Dirac Fermions in Antiferromagnetic A Fe2As2 (A =Ba ,Sr )

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Guo; Wang, Luyang; Song, Yu; Lu, Xingye; Luo, Huiqian; Zhang, Chenglin; Dai, Pengcheng; Yin, Zhiping; Haule, Kristjan; Kotliar, Gabriel

    2017-09-01

    We report infrared studies of A Fe2As2 (A =Ba , Sr), two representative parent compounds of iron-arsenide superconductors, at magnetic fields (B ) up to 17.5 T. Optical transitions between Landau levels (LLs) were observed in the antiferromagnetic states of these two parent compounds. Our observation of a √{B } dependence of the LL transition energies, the zero-energy intercepts at B =0 T under the linear extrapolations of the transition energies and the energy ratio (˜2.4 ) between the observed LL transitions, combined with the linear band dispersions in two-dimensional (2D) momentum space obtained by theoretical calculations, demonstrates the existence of massless Dirac fermions in the antiferromagnet BaFe2 As2 . More importantly, the observed dominance of the zeroth-LL-related absorption features and the calculated bands with extremely weak dispersions along the momentum direction kz indicate that massless Dirac fermions in BaFe2 As2 are 2D. Furthermore, we find that the total substitution of the barium atoms in BaFe2 As2 by strontium atoms not only maintains 2D massless Dirac fermions in this system, but also enhances their Fermi velocity, which supports that the Dirac points in iron-arsenide parent compounds are topologically protected.

  14. Two-Dimensional Massless Dirac Fermions in Antiferromagnetic AFe_{2}As_{2} (A=Ba,Sr).

    PubMed

    Chen, Zhi-Guo; Wang, Luyang; Song, Yu; Lu, Xingye; Luo, Huiqian; Zhang, Chenglin; Dai, Pengcheng; Yin, Zhiping; Haule, Kristjan; Kotliar, Gabriel

    2017-09-01

    We report infrared studies of AFe_{2}As_{2} (A=Ba, Sr), two representative parent compounds of iron-arsenide superconductors, at magnetic fields (B) up to 17.5 T. Optical transitions between Landau levels (LLs) were observed in the antiferromagnetic states of these two parent compounds. Our observation of a sqrt[B] dependence of the LL transition energies, the zero-energy intercepts at B=0  T under the linear extrapolations of the transition energies and the energy ratio (∼2.4) between the observed LL transitions, combined with the linear band dispersions in two-dimensional (2D) momentum space obtained by theoretical calculations, demonstrates the existence of massless Dirac fermions in the antiferromagnet BaFe_{2}As_{2}. More importantly, the observed dominance of the zeroth-LL-related absorption features and the calculated bands with extremely weak dispersions along the momentum direction k_{z} indicate that massless Dirac fermions in BaFe_{2}As_{2} are 2D. Furthermore, we find that the total substitution of the barium atoms in BaFe_{2}As_{2} by strontium atoms not only maintains 2D massless Dirac fermions in this system, but also enhances their Fermi velocity, which supports that the Dirac points in iron-arsenide parent compounds are topologically protected.

  15. BaTiO3/SrTiO3 heterostructures for ferroelectric field effect transistors

    NASA Astrophysics Data System (ADS)

    Shoron, Omor F.; Raghavan, Santosh; Freeze, Christopher R.; Stemmer, Susanne

    2017-06-01

    Integration of ultrathin ferroelectric thin films with semiconductors is of interest for negative capacitance transistors that exhibit internal voltage gain, which may allow for scaling the supply voltage of low power circuits. In this study, BaTiO3 thin films were grown on doped SrTiO3 channels using molecular beam epitaxy. The BaTiO3 films are ferroelectric despite their low thickness (˜10 nm). Parallel plate capacitor devices exhibit anti-clockwise hysteresis, and a comparison with reference structures without BaTiO3 shows that the polarization in the BaTiO3 thin films is switchable and controls the charge density in the channel. Field effect transistors were fabricated to study the effect of ferroelectricity on the transistor characteristics. Anti-clockwise hysteresis and a shift in threshold-voltage are observed in the output characteristics of the transistors. These properties make these heterostructures a suitable system for studying negative capacitance effects.

  16. Gulf of Alaska and California bamboo corals: Ba/Ca and Sr/Ca records

    NASA Astrophysics Data System (ADS)

    Sauthoff, W.; LaVigne, M.; Hill, T. M.; Roark, E.; Dunbar, R. B.; Guilderson, T. P.; Spero, H. J.

    2012-12-01

    Deep-sea bamboo coral communities form on seamounts and along continental margins with near global distribution. Bamboo [Isididae] corals record surrounding ocean geochemistry presenting reliable proxy records of changes in seawater conditions, including productivity and nutrient content. Here we investigate bamboo coral specimens from the California margin and Gulf of Alaska (634-1288 m water depth; ~37oN-48oN), to provide insight into latitudinal and temporal differences in eastern Pacific Ocean climate processes. Past oceanic conditions were reconstructed in this investigation by trace element analyses (Ba/Ca, Sr/Ca) using laser ablation ICP-MS, using a 85 μm spot size at 10 μm/s, 4.45 J/cm2 fluence, and 10 Hz repetition rate. Two California specimens show differences in mean Ba/Ca content: 13.73 compared to 18.55 μmol/mol, which we attribute to differences in collection depth (T1104 A10: 833 m and T1100 A04: 1288 m, respectively). Gulf of Alaska corals show a more subdued nutrient signal with lower mean Ba/Ca values of 10.56 and 10.05 μmol/mol across a narrower depth range (ALV3803 #3: 720 m; ALV3803 #5: 634 m, respectively). This trend of increasing Ba/Ca with depth is in consensus with eastern Pacific dissolved barium and California margin bamboo coral depth transects. Sr/Ca content was uniform between four coral specimens with values ranging from 3.01 to 3.06 mmol/mol. Coral chronologies were compared against indices of climate oscillations, including El Niño Southern Oscillation and Pacific Decadal Oscillation, using time series based upon radiocarbon dating. The corals investigated here show a limited connection with El Niño Southern Oscillation; longer-term changes related Pacific Decadal Oscillation may be evidenced in this climate archive.

  17. Competing atomic processes in Ba and Sr injection critical velocity experiments

    NASA Technical Reports Server (NTRS)

    Newell, P. T.; Torbert, R. B.

    1985-01-01

    The critical ionization velocity effect requires a superthermal electron population to ionize through collisional impact. Such superthermal electrons can however lose energy to competing atomic processes, as well as to ionization, thus limiting the efficiency of the effect. Considering Ba and Sr magnetospheric injection experiments designed to test the CIV theory, it is found that in both cases roughly 60 percent of the superthermal electron energy is lost on exciting line radiation. Moreover, energy loss to background neutral oxygen places a strict limit on the injected cloud densities for which critical velocity effects are possible; a finding which explains the consistently negative results in radial injection experiments.

  18. Dielectric properties of (Ba,Sr)TiO{sub 3} films by RF sputtering

    SciTech Connect

    Mikami, N.; Horikawa, T.; Makita, T.; Sato, K.; Kuroiwa, T.; Honda, T.; Watarai, H.

    1994-12-31

    The dielectric properties of (Ba,Sr)TiO{sub 3}(BST) thin films prepared by RF sputtering method, were investigated. Polycrystalline film structure and grain size were estimated by transmission electron microscopy (TEM) and Xray diffraction. The dielectric constant of BST films depends on their grain size rather than thickness of the film. A broad maximum in the temperature dependence of the dielectric constant of the films was observed, and Curie temperature was not clear. No hysteresis was observed in a D-E curve of the film at 77K.

  19. Competing atomic processes in Ba and Sr injection critical velocity experiments

    NASA Technical Reports Server (NTRS)

    Newell, P. T.; Torbert, R. B.

    1985-01-01

    The critical ionization velocity effect requires a superthermal electron population to ionize through collisional impact. Such superthermal electrons can however lose energy to competing atomic processes, as well as to ionization, thus limiting the efficiency of the effect. Considering Ba and Sr magnetospheric injection experiments designed to test the CIV theory, it is found that in both cases roughly 60 percent of the superthermal electron energy is lost on exciting line radiation. Moreover, energy loss to background neutral oxygen places a strict limit on the injected cloud densities for which critical velocity effects are possible; a finding which explains the consistently negative results in radial injection experiments.

  20. Structure and physical properties of Y(La)-Ba(Sr)-Cu-O superconducting compounds

    NASA Astrophysics Data System (ADS)

    Verkin, B. I.; Bandurian, B. B.; Baryl'Nik, A. S.; Batrak, A. G.; Bobrov, N. L.

    1987-07-01

    The structure and physical properties of Y(La)-Ba(Sr)-Cu-O superconducting compounds prepared by the cryogenic dispersion of a mixture of oxides and carbonates are investigated experimentally in the temperature range from 21 mK to 300 K. In particular, attention is given to the electrical conductivity and critical current density of the superconductors. Attention is also given to the degradation of the critical parameters of the superconductors with time, their structural characteristics, magnetic suceptibility, specific heat, and acoustic properties; the volt-ampere characteristics of the superconducting compounds are determined.

  1. TiO2 controlling photoluminescence of AWO4 (A =Ca,Sr,Ba) nanofilms

    NASA Astrophysics Data System (ADS)

    Jia, Runping; Zhang, Guoxin; Wu, Qingsheng; Ding, Yaping

    2006-07-01

    AWO4 (A =Ca,Sr,Ba) nanofilms are prepared by a self-inventive technique using collodion to disperse nanoparticles and form film, and their photoluminescence (PL) properties are controlled by a nano-TiO2 doping method. This cannot only reach the results of uniform film and PL enhancement, but also realize a PL increase/decrease shift effect. The PL behaviors of AWO4 nanofilms doped by TiO2 are in good agreement with Gaussion function relation. In addition, there is a positive correlation between the critical concentrations of TiO2 in AWO4-TiO2 nanofilm series and A's ionic potential.

  2. Rare gases and Ca, Sr, and Ba in Apollo 17 drill-core fines

    NASA Technical Reports Server (NTRS)

    Pepin, R. O.; Dragon, J. C.; Johnson, N. L.; Bates, A.; Coscio, M. R., Jr.; Murthy, V. R.

    1975-01-01

    Trapped gas isotopic compositions and spallation gas concentrations as functions of depth in the Apollo 17 drill core were determined from mass spectrometer studies by means of correlation techniques. The distribution of He, Ne, Ar, Kr, and Xe as well as Ca, Sr, and Ba was investigated, and rare-gas spallation and neutron capture profiles are compared with attention to proposed depositional models for the Taurus-Littrow regolith. The data exclude a sedimentation pattern similar to that found at the Apollo 15 site but are possibly compatible with long-term continuous accretion models or models of very recent rapid accumulation of regolith.

  3. Magnetic and magnetocaloric properties of Ba and Ti co-doped SrRuO{sub 3}

    SciTech Connect

    Sarkar, Babusona; Dalal, Biswajit; Dev Ashok, Vishal; De, S. K.

    2014-12-28

    Temperature evolution of magnetic properties in Ba and Ti doped SrRuO{sub 3} has been investigated to observe the effects of larger ionic radius Ba at Sr site and isovalent nonmagnetic impurity Ti at Ru site. Ionic radius mismatch and different electronic configuration in comparison with Ru modify Sr(Ba)-O and Ru(Ti)-O bond lengths and Ru-O-Ru bond angle. The apical and basal Ru-O-Ru bond angles vary significantly with Ti doping. Ferromagnetic Curie temperature decreases from 161 K to 149 K monotonically with Ba (10%) and Ti (10%) substitutions at Sr and Ru sites. The zero field cooled (ZFC) magnetization reveals a prominent peak which shifts towards lower temperature with application of magnetic field. The substitution of tetravalent Ti with localized 3d{sup 0} orbitals for Ru with more delocalized 4d{sup 4} orbitals leads to a broad peak in ZFC magnetization. A spontaneous ZFC magnetization becomes negative below 160 K for all the compositions. The occurrence of both normal and inverse magnetocaloric effects in Ba and Ti co-doped SrRuO{sub 3} makes the system more interesting.

  4. Terahertz dielectric response of ferroelectric Ba(x)Sr(1-x)TiO3 thin films.

    PubMed

    Kang, Seung Beom; Kwak, Min Hwan; Choi, Muhan; Kim, Sungil; Kim, Taeyong; Cha, Eun Jong; Kang, Kwang Yong

    2011-11-01

    Terahertz time-domain spectroscopy has been used to investigate the dielectric and optical properties of ferroelectric Ba(x)Sr(1-x)TiO(3) thin films for nominal x-values of 0.4, 0.6, and 0.8 in the frequency range of 0.3 to 2.5 THz. The ferroelectric thin films were deposited at approximately 700 nm thickness on [001] MgO substrate by pulsed laser deposition. The measured complex dielectric and optical constants were compared with the Cole-Cole relaxation model. The results show that the Cole-Cole relaxation model fits well with the data throughout the frequency range and the dielectric relaxation behavior of ferroelectric Ba(x)Sr(1-x)TiO(3) thin films varies with the films compositions. Among the compositions of Ba(x)Sr(1-x)TiO(3) films with different Ba/Sr ratios, Ba(0.6)Sr(0.4)TiO(3) has the highest dielectric constants and the shortest dielectric relaxation time.

  5. Structure determination and relative properties of novel cubic borates MM'4(BO3)3 (M = Li, M' = Sr; M = Na, M' = Sr, Ba).

    PubMed

    Wu, L; Chen, X L; Li, H; He, M; Xu, Y P; Li, X Z

    2005-09-05

    A series of novel borates, MM'4(BO3)3 (M = Li, M' = Sr; M = Na, M' = Sr, Ba), have been successfully synthesized by standard solid-state reaction. The crystal structures have been determined from powder X-ray diffraction data. They crystallize in the cubic space group Iad with large lattice parameters: a = 14.95066(5) A for LiSr4(BO3)3, a = 15.14629(6) A for NaSr4(BO3)3, and a = 15.80719(8) A for NaBa4(BO3)3. The structure was built up from 64 small cubic grids, in which the M' atoms took up the corner angle and the BO3 triangles or MO6 cubic octahedra filled in the interspaces. The isolated [BO3]3- anionic groups are perpendicular to each other, distributed along three 100 directions. The anisotropic polarizations were counteracting, forming an isotropic crystal. Sr and Ba atoms were found to be completely soluble in the solid solution NaSr(4-)xBax(BO3)3 (0 < or = x < or = 4). The photoluminescence of samples doped with the ions Eu2+ and Eu3+ was studied, and effective yellow and red emission was detected, respectively. The results are consistent with the crystallographic study. The DTA and TGA curves of them show that they are chemically stable and congruent melting compounds.

  6. Metal-semiconductor-transition observed in Bi2Ca(Sr, Ba)2Co2O8+δ single crystals

    NASA Astrophysics Data System (ADS)

    Dong, Song-Tao; Zhang, Bin-Bin; Zhang, Lun-Yong; Chen, Y. B.; Yao, Shu-Hua; Zhou, Jian; Zhang, Shan-Tao; Gu, Zheng-Bin; Chen, Yan-Feng

    2014-07-01

    Electrical property evolution of Bi2AE2Co2O8+δ single crystals (AE = Ca, Sr and Ba) is systematically explored. When AE changes from Ca to Ba, the electrical property of Bi2Ca2Co2O8+δ and Bi2Sr2Co2O8+δ demonstrates semiconductor-like properties. But Bi2Ba2Co2O8+δ shows the metallic behavior. Analysis of temperature-dependent resistance substantiates that from metallic Bi2Ba2Co2O8+δ to semiconductor-like Bi2Sr2Co2O8+δ can be attributed to Anderson localization. However the semiconductor behaviour of Bi2Sr2Co2O8+δ and Bi2Ca2Co2O8+δ is related to electronic correlations effect that is inferred by large negative magnetoresistance (˜70%). The theoretical electronic structures and valence X-ray photoemission spectroscopy substantiate that there is a relative large density of state around Fermi level in Bi2Ba2Co2O8+δ compared with other two compounds. It suggests that Bi2Ba2Co2O8+δ is more apt to be metal in this material system.

  7. Diamagnetism to ferromagnetism in Sr-substituted epitaxial BaTiO{sub 3} thin films

    SciTech Connect

    Singamaneni, Srinivasa Rao Prater, John T.; Punugupati, Sandhyarani; Narayan, Jagdish

    2016-04-04

    We report on the ferromagnetic-like behavior in otherwise diamagnetic BaTiO{sub 3} (BTO) thin films upon doping with non-magnetic element Sr having the composition Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} (BST). The epitaxial integration of BST (∼800 nm) thick films on Si (100) substrate was achieved using MgO (40 nm) and TiN (20 nm) as buffer layers to prepare BST/MgO/TiN/Si (100) heterostructure by pulsed laser deposition. The c-axis oriented and cube-on-cube epitaxial BST is formed on Si (100) as evidenced by the in-plane and out-of-plane X-ray diffraction. All the deposited films are relaxed through domain matching epitaxy paradigm as observed from X-ray diffraction pattern and A{sub 1}TO{sub 3} mode (at 521.27 cm{sup −1}) of Raman spectra. As-deposited BST thin films reveal ferromagnetic-like properties, which persist up to 400 K. The magnetization decreases two-fold upon oxygen annealing. In contrast, as-deposited un-doped BTO films show diamagnetism. Electron spin resonance measurements reveal no evidence of external magnetic impurities. XRD and X-ray photoelectron spectroscopy spectra show significant changes influenced by Sr doping in BTO. The ferromagnetic-like behavior in BST could be due to the trapped electron donors from oxygen vacancies resulting from Sr-doping.

  8. ESR Study of (La,Ba)MnO3/ZnO Nanostructure for Resistive Switching Device

    NASA Astrophysics Data System (ADS)

    Polek, Taras; Semen'ko, Mykhaylo; Endo, Tamio; Nakamura, Yoshinobu; Lotey, Gurmeet Singh; Tovstolytkin, Alexandr

    2017-03-01

    Structure, electric, and resonance properties of (La,Ba)MnO3/ZnO nanostructure grown on SrTiO3 (001) substrate have been investigated. It is found that at room temperature and relatively low voltages (| V |< 0.2 V), the structure shows good rectification behavior with rectification factor near 210. Resistive switching properties are detected after application of higher voltages. Temperature evolution of magnetic phase composition of the sample is analyzed in detail, based on results of electron spin resonance measurements. It is shown that magnetic state below 260 K is characterized by coexistence of ferromagnetic and paramagnetic phases, but no evidence of magnetic phase separation is revealed at higher temperatures. Different driving mechanisms for resistive switching, such as magnetic phase separation and/or electric field-induced migration of oxygen vacancies, are discussed in the context of obtained results.

  9. Effect of divalent Ba cation substitution with Sr on coupled 'multiglass' state in the magnetoelectric multiferroic compound Ba3NbFe3Si2O14.

    PubMed

    Rathore, Satyapal Singh; Vitta, Satish

    2015-05-19

    (Ba/Sr)3NbFe3Si2O14 is a magneto-electric multiferroic with an incommensurate antiferromagnetic spiral magnetic structure which induces electric polarization at 26 K. Structural studies show that both the compounds have similar crystal structure down to 6 K. They exhibit a transition, TN at 26 K and 25 K respectively, as indicated by heat capacity and magnetization, into an antiferromagnetic state. Although Ba and Sr are isovalent, they exhibit very different static and dynamic magnetic behaviors. The Ba-compound exhibits a glassy behavior with critical slowing dynamics with a freezing temperature of ~35 K and a critical exponent of 3.9, a value close to the 3-D Ising model above TN, in addition to the invariant transition into an antiferromagnetic state. The Sr-compound however does not exhibit any dispersive behavior except for the invariant transition at TN. The dielectric constant reflects magnetic behavior of the two compounds: the Ba-compound has two distinct dispersive peaks while the Sr-compound has a single dispersive peak. Thus the compounds exhibit coupled 'multiglass' behavior. The difference in magnetic properties between the two compounds is found to be due to modifications to super exchange path angle and length as well as anti-site defects which stabilize either ferromagnetic or antiferromagnetic interactions.

  10. Theoretical investigation of optical and structural properties of Ba-doped ZnO material

    NASA Astrophysics Data System (ADS)

    Lacerda, L. H. S.; de Lazaro, S. R.; Ribeiro, R. A. P.

    2015-11-01

    The doping process is a technique widely used for improving the properties of semiconductors. Through insertion of doping controlled amount is possible change drastically the electronic, optical and structural properties of a material. This work focuses on effects of Ba atoms insertion on wurtzite-ZnO structure at 12.5% amount. The results showed that the presence of Ba in low quantity cause increase in the lattice parameters and decrease in band- gap in relation to the ZnO material. In the percentage of 12.5%, the doping is noted as a potential alternative for application in opt-electronic devices, electronic devices, solar cells and photocatalytic process.

  11. PIXE, SR-XRD and EXAFS analysis of Cu-doped ZnO films

    NASA Astrophysics Data System (ADS)

    Zhang, B.; Yang, C.; Wang, J. Z.; Shi, L. Q.; Cheng, H. S.

    2014-08-01

    Cu-doped ZnO films were prepared by rf magnetron sputtering on sapphire substrate at different atmosphere. Microstructure of these films and Cu occupation sites were investigated using PIXE, SR-XRD and EXAFS. Only 2.9 at.% Cu, no other magnetic impurities (e.g., Fe, Co and Ni) were detected. The ZnO:Cu films possessed the wurtzite ZnO structures and no precipitates (e.g., CuO and Cu2O or Cu cluster) were found. Cu atoms were incorporated into ZnO crystal lattice by occupying Zn atomic sites.

  12. MBiO{sub 2}Cl (M=Sr, Ba) as novel photocatalysts: Synthesis, optical property and photocatalytic activity

    SciTech Connect

    Huang, Hongwei Wang, Shuobo; Zhang, Yihe Han, Xu

    2015-02-15

    Novel quaternary photocatalysts MBiO{sub 2}Cl (M=Sr, Ba) have been successfully developed for efficient photodecomposition of RhB. Their photocatalytic mechanism was also investigated. - Highlights: • Two Bi-based compounds SrBiO{sub 2}Cl and BaBiO{sub 2}Cl were explored as photocatalysts. • They were successfully synthesized by a solid-state reaction. • RhB can be effectively photodecomposed by SrBiO{sub 2}Cl and BaBiO{sub 2}Cl under UV light. • ·OH radicals serving as active species play important roles in degradation process. - Abstract: Two Bi-based compounds SrBiO{sub 2}Cl and BaBiO{sub 2}Cl were successfully synthesized by a solid-state reaction and investigated as new photocatalysts for the first time. Their microstructures and optical properties were characterized by XRD, SEM and DRS. The band gaps of SrBiO{sub 2}Cl and BaBiO{sub 2}Cl were separately determined to be 3.52 and 3.71 eV, and their E{sub CB} and E{sub VB} were also estimated. The photocatalytic activities of the as-prepared samples were evaluated by photodecomposition of rhodamine B (RhB) in aqueous solution. The results revealed that both SrBiO{sub 2}Cl and BaBiO{sub 2}Cl can be used as effective photocatalysts under UV irradiation, and SrBiO{sub 2}Cl exhibits a higher photocatalytic activity than BaBiO{sub 2}Cl, which was also verified by the PL spectra. Terephthalic acid photoluminescence probing technique (TA-PL) demonstrated that ·OH radicals serving as active species play an important role in photooxidative degradation of RhB over SrBiO{sub 2}Cl and BaBiO{sub 2}Cl. Moreover, a larger amount of ·OH radicals generation was observed over SrBiO{sub 2}Cl, which is in agreement with its higher photocatalytic activity.

  13. Optical properties of ZnO/BaCO3 nanocomposites in UV and visible regions

    PubMed Central

    2014-01-01

    Pure zinc oxide and zinc oxide/barium carbonate nanoparticles (ZnO-NPs and ZB-NPs) were synthesized by the sol–gel method. The prepared powders were characterized by X-ray diffraction (XRD), ultraviolet–visible (UV–Vis), Auger spectroscopy, and transmission electron microscopy (TEM). The XRD result showed that the ZnO and BaCO3 nanocrystals grow independently. The Auger spectroscopy proved the existence of carbon in the composites besides the Zn, Ba, and O elements. The UV–Vis spectroscopy results showed that the absorption edge of ZnO nanoparticles is redshifted by adding barium carbonate. In addition, the optical parameters including the refractive index and permittivity of the prepared samples were calculated using the UV–Vis spectra. PACS 81.05.Dz; 78.40.Tv; 42.70.-a. PMID:25177218

  14. Crystal structure and polarization hysteresis properties of ferroelectric BaTiO3 thin-film capacitors on (Ba,Sr)TiO3-buffered substrates

    NASA Astrophysics Data System (ADS)

    Maki, Hisashi; Noguchi, Yuji; Kutsuna, Kazutoshi; Matsuo, Hiroki; Kitanaka, Yuuki; Miyayama, Masaru

    2016-10-01

    Ferroelectric BaTiO3 (BT) thin-film capacitors with a buffer layer of (Ba1- x Sr x )TiO3 (BST) have been fabricated on (001) SrTiO3 (STO) single-crystal substrates by a pulsed laser deposition method, and the crystal structure and polarization hysteresis properties have been investigated. X-ray diffraction reciprocal space mapping shows that the BST buffer effectively reduces the misfit strain relaxation of the BT films on SrRuO3 (SRO) electrodes. The BT capacitor with the SRO electrodes on the BST (x = 0.3) buffer exhibits a well-saturated hysteresis loop with a remanent polarization of 29 µC/cm2. The hysteresis loop displays a shift toward a specific field direction, which is suggested to stem from the flexoelectric coupling between the out-of-plane polarization and the strain gradient adjacent to the bottom interface.

  15. Effect of divalent (Sr, Ba) doping on the structural and magnetic properties of BiFeO{sub 3}

    SciTech Connect

    Rangi, Manisha Sanghi, Sujata; Agarwal, Ashish; Jangra, Sandhaya; Singh, Ompal

    2015-06-24

    The effect of divalent substitution on the crystal structure and magnetic properties of BiFeO{sub 3} has been investigated using X-ray diffraction and magnetic measurements technique. Single phase Bi{sub 0.8}A{sub 0.2}FeO{sub 3} (A= Sr, Ba) multiferroics have been synthesized by solid state reaction method. Rietveld analysis of the XRD patterns revealed that the prepared ceramics exhibit rhombohedral structure with space group R3c. M–H hysteresis loops were recorded at 5K revealed that Sr and Ba substitution transformed antiferromagnetic BiFeO3 into weak ferromagnetic. The enhanced magnetization with Sr and Ba addition is confirmed by the MT curve recorded at 1T. It is closely related to intrinsic structural distortion and modification of the antiparallel spin structure.

  16. Cs, Sr, and Ba Sorption on Clays and Fe-Oxides

    SciTech Connect

    Anderson, H.L.; Brady, P.V.; Cygan, R.T.; Gruenhagen, S.E.; Nagy, K.L.; Westrich, H.R.

    1999-06-16

    Technical guidance for performance assessment (PA) of low-level radioactive waste (LLRW) sites is currently dependent upon experimental retardation factors (K{sub D}'s) to predict radionuclide transport. Accurate predictions of waste transport or retardation will require mechanistic models of radionuclide sorption so as to be applicable to a wide range of soil/groundwater environments. To that end, we have investigated Cs{sup +}, Sr{sup +}, and Ba{sup 2+} sorption on several clay and Fe-oxide minerals. Relative metal binding strengths for montmorillonite clay decrease from Ba{sup 2+} to Sr{sup +}, which is similar to that sorption trend noticed for kaolinite. Molecular dynamics simulations for kaolinite suggest that Cs{sup +} is sorbed at aluminol (010) edge sites as an inner-sphere complex and weakly sorbed as an outer-sphere complex on (001) basal surfaces. Sorption is thought to occur on similar sites for smectite clays, however, the basal plane residual charge and its increased basal plane exposure should have a greater influence on metal sorption. On the other hand, phase transformation kinetics (e.g., ferrihydrite to goethite) is a very important control of metal sorption and resorption for Fe-oxides/hydroxides. These results provide a basis for understanding and predicting metal sorption on complex soil minerals.

  17. Nd:SrWO 4 and Nd:BaWO 4 Raman lasers

    NASA Astrophysics Data System (ADS)

    Šulc, J.; Jelínková, H.; Basiev, T. T.; Doroschenko, M. E.; Ivleva, L. I.; Osiko, V. V.; Zverev, P. G.

    2007-09-01

    Properties of the laser operation and simultaneously stimulated Raman scattering in the SRS-active neodymium doped SrWO4 and BaWO4 crystals coherently end-pumped at wavelength 752 nm by pulsed free-running alexandrite laser radiation were investigated. The Nd3+ ion emission at wavelength λNd ˜ 1.06 μm was corresponding to 4F3/2 → 4I11/2 transition. To reach the SRS-self-conversion threshold inside Raman crystal the Nd3+ lasers were operating in a Q-switching regime. For Q-switching LiF:F2- crystal as a saturable absorber was used. Raman self-conversion at wavelength ˜1.17 μm was successfully reached with both tungstate crystals. The shortest generated pulse (1.3 ns FWHM) and highest peak power (615 kW) was obtained with Nd:BaWO4 Raman laser Q-switched by LiF:F2- crystal with initial transmission T0 = 60%. Up to 0.8 mJ was registered at the first Stokes wavelength 1169 nm. Using Q-switched Nd:SrWO4 laser higher energy in Raman emission was obtained (1.23 mJ) but generated pulse was longer (2.9 ns FWHM) resulting in lower peak power (430 kW).

  18. Solid solution partitioning of Sr2+, Ba2+, and Cd2+ to calcite

    USGS Publications Warehouse

    Tesoriero, A.J.; Pankow, J.F.

    1996-01-01

    Although solid solutions play important roles in controlling the concentrations of minor metal ions in natural waters, uncertainties regarding their compositions, thermodynamics, and kinetics usually prevent them from being considered. A range of precipitation rates was used here to study the nonequilibrium and equilibrium partitioning behaviors of Sr2+, Ba2+, and Cd2+ to calcite (CaCO3(s)). The distribution coefficient of a divalent metal ion Me2+ for partitioning from an aqueous solution into calcite is given by DMe = (XMeCO3(s)/[Me2+])/(XCaCO3(s)/[Ca 2+]). The X values are solid-phase mole fractions; the bracketed values are the aqueous molal concentrations. In agreement with prior work, at intermediate to high precipitation rates R (nmol/mg-min), DSr, DBa, and DCd were found to depend strongly on R. At low R, the values of DSr, DBa, and DCd became constant with R. At 25??C, the equilibrium values for DSr, DBa, and DCd for dilute solid solutions were estimated to be 0.021 ?? 0.003, 0.012 ?? 0.005, and 1240 ?? 300, respectively. Calculations using these values were made to illustrate the likely importance of partitioning of these ions to calcite in groundwater systems. Due to its large equilibrium DMe value, movement of Cd2+ will be strongly retarded in aquifers containing calcite; Sr2+ and Ba2+ will not be retarded nearly as much.

  19. Characterization of MeWO 4 (Me = Ba, Sr and Ca) nanocrystallines prepared by sonochemical method

    NASA Astrophysics Data System (ADS)

    Thongtem, Titipun; Phuruangrat, Anukorn; Thongtem, Somchai

    2008-09-01

    Metal tungstates (MeWO 4, Me = Ba, Sr and Ca) were successfully prepared using the corresponding Me(NO 3) 2·2H 2O and Na 2WO 4·2H 2O in ethylene glycol by the 5 h sonochemical process. The tungstate phases with scheelite structure were detected with X-ray diffraction (XRD) and selected area electron diffraction (SAED). Their calculated lattice parameters are in accord with those of the JCPDS cards. Transmission electron microscopy (TEM) revealed the presence of nanoparticles composing the products. Their average sizes are 42.0 ± 10.4, 18.5 ± 5.1 and 13.1 ± 3.3 nm for Me = Ba, Sr and Ca, respectively. Interplanar spaces of the crystals were also characterized with high-resolution TEM (HRTEM). Their crystallographic planes are aligned in systematic array. Six different vibration wavenumbers were detected using Raman spectrometer and are specified as ν1(A g), ν3(B g), ν3(E g), ν4(B g), ν2(A g) and free rotation. Fourier transform infrared (FTIR) spectra provided the evidence of scheelite structure with W-O anti-symmetric stretching vibration of [WO 4] 2- tetrahedrons at 786-883 cm -1. Photoluminescence emission of the products was detected over the range of 384-416 nm.

  20. Effects of verapamil on the contractions of guinea-pig tracheal muscle induced by Ca, Sr and Ba.

    PubMed Central

    Baba, K.; Kawanishi, M.; Satake, T.; Tomita, T.

    1985-01-01

    A comparison was made of contractions produced by calcium (Ca), strontium (Sr) or barium (Ba) in guinea-pig tracheal smooth muscle after the preparation had been relaxed in Ca-free medium. Most of the experiments were carried out in the presence of indomethacin (5 microM) to inhibit endogenous prostaglandin synthesis. In 40 mM K+ solution, the Ca, Sr and Ba concentrations which produced 50% of maximum tension responses were 0.07 mM, 1 mM and 2 mM, respectively. Maximum tension of a similar size was produced by either 2.4 mM Ca, 9.6 mM Sr or 9.6 mM Ba. The Ca-induced contraction in 5.9 mM K solution, which is probably due to the presence of endogenous prostaglandins, was not significantly affected by verapamil. When the external K concentration was increased to 40 mM, the Ca-induced contraction became susceptible to inhibition by verapamil. Similarly, contractions induced by Sr and Ba in excess K solution were strongly suppressed by verapamil. In the presence of prostaglandin (PG) F2 alpha (1.4 microM) or carbachol (5 microM), Ca, Sr and Ba produced contractions in both the 5.9 mM K and 40 mM K solutions. Contractions produced by PGF2 alpha or carbachol in the presence of Ca were little affected by 10 microM verapamil, whereas those in the presence of Sr or Ba were strongly suppressed by verapamil in both the 5.9 and 40 mM K solutions.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2579699

  1. Internal friction study on bilayer cuprates Pr(Ba 1-xSr x) 2Cu 3O 7-δ

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Ying, X. N.; Yuan, Y. H.

    2011-02-01

    The internal friction of partially Sr-substituted Pr(Ba 1-xSr x) 2Cu 3O 7-δ ( x = 0, 0.05, 0.1, 0.2, 0.3, and 0.4) ceramics was measured by the vibrating-reed method from liquid nitrogen temperature to room temperature at kilohertz frequencies. The intensity of the internal friction peak, which appears around 250 K, decreases upon Sr doping. The result is explained in terms of a possible combining structural freezing transition of CuO 5 square pyramids and oxygen atoms in CuO x chains. Another internal friction peak around 134 K was observed in tetragonal Pr(Ba 0.6Sr 0.4) 2Cu 3O 7-δ which is temporarily explained by the hopping of holes in the CuO 2 layers.

  2. Negative Thermal Expansion in Ba0.5Sr0.5Zn₂SiGeO₇.

    PubMed

    Thieme, Christian; Rüssel, Christian

    2016-07-27

    Solid solutions with the composition Ba0.5Sr0.5Zn₂Si2-xGexO₇ and BaZn₂Si2-xGexO₇ were prepared with different values of x using a conventional mixed oxide route. Both compounds exhibit very different thermal expansion, which is due to the different crystal structures. Ba0.5Sr0.5Zn₂Si2-xGexO₇ solid solutions exhibit the structure of high-temperature BaZn₂Si₂O₇ and show negative thermal expansion, which was proven via high-temperature X-ray diffraction. Up to around x = 1, the crystal structure remains the same. Above this value, the low-temperature phase becomes stable. The Sr-free solid solutions have the crystal structure of low-temperature BaZn₂Si₂O₇ and show also a limited solubility of Ge. These Sr-free compositions show transitions of low- to high-temperature phases, which are shifted to higher temperatures with increasing Ge-concentration.

  3. Suppression of structural phase transition by Sr substitution in the improper ferroelectric BaAl2O4

    NASA Astrophysics Data System (ADS)

    Mori, Shigeo; Ishii, Yui; Tanaka, Eri; Tsukasaki, Hirofumi; Kawaguchi, Shogo

    2015-10-01

    To clarify lattice fluctuations and precursor phenomena accompanied by structural phase transition in stuffed tridymite compounds, changes in diffuse scattering as a function of temperature in Ba0.6Sr0.4Al2O4 have been carefully investigated by powder X-ray diffraction using synchrotron radiation, electron diffraction and transmission electron microscopy (TEM) experiments. In situ electron diffraction experiments revealed that Ba0.6Sr0.4Al2O4 exhibits lattice fluctuation manifested as a unique honeycomb-shaped diffuse scattering in the wide temperature range between 298 and 100 K. Unlike in the case of BaAl2O4, Ba0.6Sr0.4Al2O4 shows no structural phase transition to the ferroelectric structure with the hexagonal P63 space group in the temperature range. In contrast, it is revealed that the electron beam irradiation to the Ba0.6Sr0.4Al2O4 sample inside the transmission electron microscope induced structural change from the hexagonal P6322 structure to the modulated structure with double periodicity in the three equivalent <110> directions in the low-temperature region. This implies that the total energy difference between these two structures is small. The hexagonal P6322 structure transforms into the modulated one with short correlation length owing to some small external perturbations.

  4. Magnetic behaviour of the MTbF{sub 6} fluoroterbates (M=Cd, Ca, Sr, ({alpha}/{beta})-Ba)

    SciTech Connect

    Josse, M.; El-Ghozzi, M.; Avignant, D.; Andre, G.; Bouree, F.; Isnard, O.

    2012-01-15

    Neutron powder diffraction has been performed on the MTbF{sub 6} fluorides (M=Cd, Ca, Sr, ({alpha}/{beta})-Ba). Four of these fluorides (Cd, Ca, Sr, {beta}-Ba) are built of a (pseudo-) tetragonal packing of [TbF{sub 6}]{sup 2-} chains and only differs by the chains relative orientations. Thus this series represents a valuable opportunity to evaluate the Tb{sup 4+}-Tb{sup 4+} magnetic interactions. All the compounds displayed antiferromagnetic order (T{sub N}=2.70 K (Cd), 2.15 K (Ca), 2.60 K (Sr), 2.10 K ({beta}-Ba)), except for the {alpha} form of BaTbF{sub 6}. The crystal structure of this latter fluoroterbate has also been investigated by means of high-resolution neutron powder diffraction. From Neutron Powder Diffraction data, CdTbF{sub 6} and {beta}-BaTbF{sub 6} magnetic structures were determined, together with the metamagnetic behaviour of {beta}-BaTbF{sub 6} as a function of an external magnetic field. A tentative phase diagram is then given for {beta}-BaTbF{sub 6}. Advantage was taken of the polymorphism of the BaTbF{sub 6} fluoroterbate to analyse, on the basis of topological parameters such as bond distances and angles, the magnetic behaviour of its {alpha} and {beta} forms. It was shown that superexchange interactions are present in {beta}-BaTbF{sub 6}, and that these interactions may also rule the magnetic behaviour of the other MTbF{sub 6} (M=Ca, Sr, Cd) tetravalent terbium fluorides. - Graphical abstract: Powder neutron diffraction revealed magnetic order in four of the five investigated fluoroterbates, while crystal chemical analyses of {alpha} and {beta} forms of BaTbF{sub 6} evidenced the existence of superexchange interactions. Highlights: Black-Right-Pointing-Pointer Five fluoroterbates are investigated by Powder Neutron Diffraction (PND). Black-Right-Pointing-Pointer Four of them are antiferromagnetically ordered at 1.4 K. Black-Right-Pointing-Pointer Magnetic structures of {beta}-BaTbF{sub 6} and CdTbF{sub 6} are determined. Black

  5. Large recoverable electrostrain in Mn-doped (Ba,Sr) TiO{sub 3} ceramics

    SciTech Connect

    Zhang, L.X.; Chen, W.; Ren, X.

    2004-12-06

    In this letter we demonstrate that with a different principle, BaTiO{sub 3} ceramics, so far considered as inferior piezoelectrics compared with Pb(Zr,Ti)O{sub 3} (PZT), can show a large recoverable electrostrain. This principle utilizes a point-defect-mediated reversible domain switching mechanism, which can in theory generate 0.368% strain for BaTiO{sub 3} ceramics at the best condition. Experimental results showed that, after aging at room temperature, 1.0 mol % Mn-doped (Ba{sub 0.95}Sr{sub 0.05})TiO{sub 3} ceramics generate a large recoverable nonlinear strain of about 0.12%-0.15% at a field of 3 kV/mm. This value exceeds that of conventional hard PZT piezoelectric ceramics. A microscopic model for the domain-related electrostrain effect in ceramics is proposed. It is also found that the large electrostrain effect is quite stable with respect to both changing frequency and fatigue cycles. Large electrostrain remains recoverable down to 0.05 Hz and after 10 000 cycles. These results demonstrate the potential of our approach in achieving large recoverable electrostrain in environmental-friendly (Pb-free) ceramics.

  6. Goosenest Volcano, southern Oregon: High K[sub 2]O, BA and Sr basaltic andesite extrusives

    SciTech Connect

    Mertzman, S.A. . Dept. of Geosciences)

    1992-01-01

    Goosenest Volcano, a cinder cone with coeval lava flows, is located nearly 5 miles WNW of the south entrance into Crater Lake National Park. A summit crater unmodified by glacial erosion but with a blanket of Mazama pumice, suggests the age of latest activity to be between 20,000 and 6850 B.P. The pyroclastics and lavas from Goosenest are augite olivine basaltic andesites, with a strong tendency for these minerals to form 2--5 mm in diameter glomeroporphyritic clumps [+-] plagioclase. Three samples from the cone (2 bombs and 1 spatter agglutinate) and five from lava flows were analyzed for major and trace elements through XRF and ICP techniques. These extrusive are calc-alkaline medium to high K[sub 2]O basaltic andesites; in particular, SiO[sub 2] ranges from 53 to 54 wt. %, K[sub 2]O from 1.39 to 1.94, MgO from 6.3 to 7.3, Ba from 774 to 1,069 ppm and Sr from 1,463 to 1,951 ppm. With increasing K[sub 2]O: P[sub 2]O[sub 5], Ba, Be, Ce, La, Sr, and Zr increase in concentration while Ni, Cr, and Co decrease. All major elements are virtually constant or scatter randomly; Y,V,Sc, and Yb follow the same pattern. The lower Al[sub 2]O[sub 3] content (16 to 17 wt.%) precludes the addition of a large plagioclase component as an explanation of the high Sr content. Batch partial melting of a mineralogically homogeneous source that has been fluxed by variable amounts of an LILE-rich fluid phase whose ultimate origin is tied to the subduction process, is a likely scheme which explains the unusual chemical composition of the Gossenest extrusive rocks.

  7. New Insulating Antiferromagnetic Quaternary Iridates MLa10Ir4O24 (M = Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; Han, Tian-Heng; Li, Hao; Mitchell, J. F.

    2015-07-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, Jeff = ½, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between Jeff = ½ and the S = ½ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. In this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa10Ir4O24 (M = Sr, Ba). The crystal structure of both compounds features isolated IrO6 octahedra in which the electronic configuration of Ir is d5. Both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa10Ir4O24 is an insulator.

  8. New Insulating Antiferromagnetic Quaternary Iridates MLa10Ir4O24 (M = Sr, Ba)

    PubMed Central

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; Han, Tian-Heng; Li, Hao; Mitchell, J. F.

    2015-01-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, Jeff = ½, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between Jeff = ½ and the S = ½ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. In this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa10Ir4O24 (M = Sr, Ba). The crystal structure of both compounds features isolated IrO6 octahedra in which the electronic configuration of Ir is d5. Both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa10Ir4O24 is an insulator. PMID:26129886

  9. New insulating antiferromagnetic quaternary iridates MLa10Ir4O24 (M=Sr, Ba)

    DOE PAGES

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; ...

    2015-07-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, Jeff = ½, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between Jeff = ½ and the S = ½ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. Inmore » this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa10Ir4O24 (M = Sr, Ba). The crystal structure of both compounds features isolated IrO6 octahedra in which the electronic configuration of Ir is d5. As a result, both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa10Ir4O24 is an insulator.« less

  10. Superconductivity in SrCuO2-BaCuO2 Superlattices: Formation of Artificially Layered Superconducting Materials.

    PubMed

    Norton, D P; Chakoumakos, B C; Budai, J D; Lowndes, D H; Sales, B C; Thompson, J R; Christen, D K

    1994-09-30

    Pulsed-laser deposition was used to synthesize artificially layered high-temperature superconductors. Thin-film compounds were formed when the constraint of epitaxy was used to stabilize SrCuO(2)-BaCuO(2) superlattices in the infinite layer structure. Using this approach, two new structural families, Ba(2)Srn-1,Cun+1 O2n+2+delta and Ba(4)Srn-1 Cun+3O2n+6+delta have been synthesized; these families superconduct at temperatures as high as 70 kelvin.

  11. Magmatic evolution of lunar highland rocks estimated from trace elements in plagioclase: A new bulk silicate Moon model with sub-chondritic Ti/Ba, Sr/Ba, and Sr/Al ratios

    NASA Astrophysics Data System (ADS)

    Togashi, Shigeko; Kita, Noriko T.; Tomiya, Akihiko; Morishita, Yuichi

    2017-08-01

    The compositions of host magmas of ferroan anorthosites (FAN-host magmas) were estimated from secondary ion mass spectrometry analyses of plagioclase in lunar highland rocks. The evolution of the magmas was investigated by considering phase relations based on the MELTS algorithm and by re-examining partition coefficients for trace elements between plagioclase and melts. Data little affected by post-magmatic processes were selected by using plagioclase with relatively primitive Sc and Co contents. The FAN-host magma contained 90-174 ppm Sr, 40-119 ppm Ba and 0.5-1.3% TiO2, and had sub-chondritic Sr/Ba and Ti/Ba ratios. It is difficult to account for the formation of FAN-host magma on the basis of magma evolution processes of previously proposed bulk silicate Moon models with chondritic ratios for refractory elements at global scale. Therefore, the source of the FAN-host magma must have had primordial sub-chondritic Sr/Ba and Ti/Ba ratios. The FAN-host magmas were consistent in refractory elements with the estimated host mafic magma for feldspathic crust based on lunar meteorites, and some very-low-Ti mare rocks from lunar meteorites. Here, we propose an alternative bulk silicate Moon model (the cBSM model), which is enriched in crustal components of proto-bodies relative to the present whole Earth-Moon system.

  12. Growth of Nanoscale BaTiO3/SrTiO3 Superlattices by Molecular-Beam Epitaxy

    DTIC Science & Technology

    2008-05-01

    can be achieved for SrTiO3.16 We found this method to also work for BaTiO3. An ex- ample of typical shuttered RHEED oscillations during the growth...to obtain atomically abrupt interfaces. For this reason we have used the method developed by Koster et al.13 to prepare TiO2-terminated (001) SrTiO3...sub- strates. An atomic force microscopy (AFM) image of a typical TiO2-terminated SrTiO3 substrate surface pre- pared by us using this method is shown

  13. Photoelectrochemical Water Splitting Using Bilayered ZnO/SrTiO3 Photoelectrodes

    NASA Astrophysics Data System (ADS)

    Choudhary, Surbhi; Solanki, Anjana; Sharma, Dipika; Singh, Nirupama; Upadhyay, Sumant; Shrivastav, Rohit; Satsangi, Vibha R.; Dass, Sahab

    Nanostructured zinc oxide overlayered by nanoporous strontium titanate was synthesized using sol-gel method and tested in a photoelectrochemical (PEC) cell for splitting of water. It was found that compared to the pristine ZnO and SrTiO3, the resistivity of bilayered thin film was reduced and a negative shift in open circuit potential and flatband potential of bilayered ZnO/SrTiO3 was observed, thus improving the photocurrent density and photoconversion efficiency. Significantly, bilayered ZnO/SrTiO3 thin film offered the best photocurrent density i.e. 0.46 mA/cm2 at 0 V/SCE. XRD, SEM and UV-Vis spectroscopic studies were carried out to explore the structural, surface morphological and optical properties of various thin films.

  14. Dependence of the Sr-to-Ba and Sr-to-Eu Ratio on the Nuclear Equation of State in Metal-poor Halo Stars

    NASA Astrophysics Data System (ADS)

    Famiano, M. A.; Kajino, T.; Aoki, W.; Suda, T.

    2016-10-01

    A model is proposed in which the dependence on the equation of state (EOS) of the scatter of [Sr/Ba] in metal-poor stars is studied. Light r-process element enrichment in these stars has been explained via a truncated r-process, or “tr-process.” The truncation of the r-process from a generic core-collapse event followed by a collapse into an accretion-induced black hole is examined in the framework of a galactic chemical evolution model. The constraints on this model imposed by observations of extremely metal-poor stars are explained, and the upper limits in the [Sr/Ba] distributions are found to be related to the nuclear EOS in a collapse scenario. The scatter in [Sr/Ba] and [Sr/Eu] as a function of metallicity has been found to be consistent with turbulent ejection in core-collapse supernovae. Adaptations of this model are evaluated to account for the scatter in isotopic observables. This is done by assuming mixing in ejecta in a supernova event. Stiff EOS are eliminated by this model.

  15. Measurement of Ca, Zn and Sr in enamel of human teeth by XRF

    SciTech Connect

    Wielopolski, L.; Featherstone, J.D.B.; Cohn, S.H.

    1984-01-01

    Energy dispersive x-ray fluorescence (EDXRF) has been employed to measure Ca, Zn, and Sr in enamel of human teeth. The calibration of the EDXRF system was performed by comparing Sr/Ca ratios with values obtained by atomic absorption analysis of acid etched biopsies of the enamel surface. Two calibration lines were obtained, one line for untreated teeth and the second line for teeth immersed (treated) in solutions containing Sr. A simple analytical model demonstrated that the two calibration lines were the result of the difference in the depth of the enamel sampled by EDXRF and by the acid-etched biopsy. The multi-elemental, non-destructive and quantitative aspects of EDXRF permit the sequential monitoring of the effects of Sr and Zn ions on the mineralization and demineralization processes in human enamel. The portability of the system and adaptability to non-invasive measurements makes it suitable for field studies. 26 references, 4 figures.

  16. Hydrostatic pressure effect on the superconducting properties of BaBi3 and SrBi3 single crystals

    NASA Astrophysics Data System (ADS)

    Jha, Rajveer; Avila, Marcos A.; Ribeiro, Raquel A.

    2017-02-01

    We demonstrate the superconducting properties of, and hydrostatic pressure effect on, BaBi3 and SrBi3 superconductors. We measure the dc magnetic susceptibility under hydrostatic pressure for both compounds, which shows a positive pressure coefficient of dT c/dP = 1.22 K GPa-1 for BaBi3 and a negative pressure coefficient of dT c/dP = -0.43 K GPa-1 for SrBi3. The normal state electrical resistivity shows that both compounds are highly metallic in nature. The upper critical fields H c2 evaluated by resistivity under magnetic fields ρ(T,H) are 22 kOe for BaBi3 and 2.9 kOe for SrBi3. A specific heat jump of ΔC e/γT c = 1.05 suggests weak coupling superconductivity in BaBi3, whereas ΔC e/γT c = 2.08 for SrBi3 is higher than the Bardeen-Cooper-Schrieffer theory value of 1.43, indicating a strong coupling superconductor.

  17. Electronic Structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by First-Principles Calculation

    NASA Astrophysics Data System (ADS)

    Wang, Jin-song; Liu, Hong-xia; Deng, Shuping; Li, De-cong; Shen, Lan-xian; Cheng, Feng; Deng, Shu-kang

    2016-10-01

    Sn-based clathrates possess excellent thermoelectric properties ascribed to their higher Seebeck coefficient and lower thermal conductivity. Guest atoms significantly modulate the thermoelectric properties of Sn-based calculates because of their diverse atomic radius and interactions with framework atoms. Thus, we explored the electronic structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by first-principles calculation. Results revealed significant differences between Yb8Ga16Sn30 and M8Ga16Sn30 (M = Ba, Sr,). In particular, the Yb-filled compound substitution possesses lowest formation energy and the off-center distance of the Yb atom is the largest compared with the other structures. I-M8Ga16Sn30 (M = Ba, Sr, Yb) is an indirect band gap semiconductor, and the enhanced hybridization effect between the guest and framework atoms' orbits exists because the Yb f orbit results in a decrease in band gap. Ba- and Sr-filled clathrates have similar valence bands but slightly different conduction bands; however, Yb8Ga16Sn30 possess the spiculate density of states near the Fermi level that reveals excellent thermoelectric properties.

  18. Electronic Structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by First-Principles Calculation

    NASA Astrophysics Data System (ADS)

    Wang, Jin-song; Liu, Hong-xia; Deng, Shuping; Li, De-cong; Shen, Lan-xian; Cheng, Feng; Deng, Shu-kang

    2017-05-01

    Sn-based clathrates possess excellent thermoelectric properties ascribed to their higher Seebeck coefficient and lower thermal conductivity. Guest atoms significantly modulate the thermoelectric properties of Sn-based calculates because of their diverse atomic radius and interactions with framework atoms. Thus, we explored the electronic structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by first-principles calculation. Results revealed significant differences between Yb8Ga16Sn30 and M8Ga16Sn30 (M = Ba, Sr,). In particular, the Yb-filled compound substitution possesses lowest formation energy and the off-center distance of the Yb atom is the largest compared with the other structures. I-M8Ga16Sn30 (M = Ba, Sr, Yb) is an indirect band gap semiconductor, and the enhanced hybridization effect between the guest and framework atoms' orbits exists because the Yb f orbit results in a decrease in band gap. Ba- and Sr-filled clathrates have similar valence bands but slightly different conduction bands; however, Yb8Ga16Sn30 possess the spiculate density of states near the Fermi level that reveals excellent thermoelectric properties.

  19. Electronic properties of BaCuChF (Ch=S,Se,Te) surfaces and BaCuSeF/ZnPc interfaces

    NASA Astrophysics Data System (ADS)

    Zakutayev, Andriy; Tate, Janet; Platt, Heather A. S.; Keszler, Douglas A.; Hein, Corinna; Mayer, Thomas; Klein, Andreas; Jaegermann, Wolfram

    2010-05-01

    BaCuChF (Ch=S,Se,Te) surfaces and BaCuSeF interfaces with zinc phthalocyanine (ZnPc) were studied by photoelectron spectroscopy. BaCuChF compounds oxidize when exposed to ambient atmosphere. Se capping layers were studied as a means to produce representative surfaces for photoelectron spectroscopic measurements. Decapped BaCuSeF surfaces remain O-free and C-free when the Se layer is evaporated but they become F-deficient. The resulting surfaces have work functions of 4.85 eV and Fermi levels located 0.25 eV above the valence band maximum. In situ stepwise deposition of ZnPc on a BaCuSeF film surface produced a chemically inert interface with a hole-injection barrier of 0.11 eV.

  20. The systems Sr-Zn-{l_brace}Si,Ge{r_brace}: Phase equilibria and crystal structure of ternary phases

    SciTech Connect

    Romaka, V.V.; Falmbigl, M.; Grytsiv, A.; Rogl, P.

    2012-02-15

    Phase relations have been established by electron probe microanalysis (EPMA) and X-ray powder diffraction (XPD) for the Sr-poor part of the ternary systems Sr-Zn-Si at 800 Degree-Sign C and Sr-Zn-Ge at 700 Degree-Sign C. In the Sr-Zn-Si system one new ternary compound SrZn{sub 2+x}Si{sub 2-x} (0{<=}x{<=}0.45) with CeAl{sub 2}Ga{sub 2} structure and a statistical mixture of Zn/Si in the 4e site was found. Neither a type-I nor a type-IX clathrate phase was encountered. This system is characterized by formation of two further phases, i.e. SrZn{sub 1-x}Si{sub 1+x} with ZrBeSi-type (0.16{<=}x{<=}0.22) and SrZn{sub 1-x}Si{sub 1+x} with AlB{sub 2}-type (0.35{<=}x{<=}0.65) with a random distribution of Zn/Si atoms in the 2c site. For the Sr-Zn-Ge system, the homogeneity regions of the isotypic phases SrZn{sub 1-x}Ge{sub 1+x} with ZrBeSi-type (0{<=}x{<=}0.17) and AlB{sub 2}-type (0.32{<=}x{<=}0.56), respectively, have been determined. Whereas the germanide SrZn{sub 2+x}Ge{sub 2-x} (CeAl{sub 2}Ga{sub 2}-type) is characterized by a homogeneity region (0{<=}x{<=}0.5), the clathrate type-I phase Sr{sub 8}Zn{sub 8}Ge{sub 38} shows a point composition. - Graphical abstract: Phase equilibria of ternary compounds in the Sr-Zn-Si-system at 800 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Si-system are established at 800 Degree-Sign C. Black-Right-Pointing-Pointer Phase equilibria in the Sr-Zn-Ge-system are established at 700 Degree-Sign C. Black-Right-Pointing-Pointer Crystal structures of the ternary compounds were confirmed by X-ray powder diffraction. Black-Right-Pointing-Pointer All ternary compounds except the clathrate-I in the Ge-system are characterized by a homogeneity region.

  1. (Ba,Sr)TiO3 tunable capacitors with RF commutation quality factors exceeding 6000

    NASA Astrophysics Data System (ADS)

    Meyers, Cedric J. G.; Freeze, Christopher R.; Stemmer, Susanne; York, Robert A.

    2016-09-01

    The fabrication, measurement, and modeling of radio-frequency (RF), tunable interdigital capacitors (IDCs) are described. High quality factors of 200 in the S/L-bands combined with a 47% tunability are achieved by utilizing epitaxial (Ba,Sr)TiO3 films grown by hybrid molecular beam epitaxy on LaAlO3 substrates. The fabricated devices consisted of one-port and two-port IDCs embedded in ground-signal-ground, coplanar waveguide transmission lines to enable RF probing. Wideband RF scattering parameters under bias were measured from 100 MHz to 40 GHz. A commutation quality factor averaging 6000 across the L band is achieved. These are the highest reported values in this band.

  2. Transparent Conducting Properties of SrSnO3 and ZnSnO3

    DOE PAGES

    Ong, Khuong P.; Fan, Xiaofeng; Subedi, Alaska; ...

    2015-04-29

    We report optical properties of doped n-type SrSnO3 and ZnSnO3 in relation to potential application as transparent conductors. We find that the orthorhombic distortion of the perovskite structure in SrSnO3 leads to absorption in the visible as the doping level is increased. This arises from interband transitions. We find that strain tuning could modify this absorption, but does not eliminate it. On the other hand, we find that ZnSnO3 although also having a non-cubic structure, can retain excellent transparency when doped, making it a good candidate transparent conductor.

  3. Electronic structures of non-half-metallic antiferromagnetic double perovskites ALaVMoO6 (A = Ca, Sr, and Ba)

    NASA Astrophysics Data System (ADS)

    Kim, I. G.; Park, M. S.

    2005-03-01

    Recently, double perovskites ALaVMoO6 (A= Ca and Sr) of the Fm3m space group were proposed experimentally to be half-metallic antiferromagnets.ootnotetextUehara, Yamada, and Kimishima, Solid St. Commun. 129, 385 (2004). The electronic structures and magnetism of the double perovskites ALaVMoO6 (A= Ca, Sr, and Ba) were determined within the generalized gradient approximation to density functional theory using the all-electron full-potential linearized augmented plane wave (FLAPW) method.ootnotetextWimmer, Krakauer, Weinert, and Freeman, PRB 24, 864 (1981). The A= Ca case shows metallic ferrimagnetism as the most stable phase, with magnetic moments of 1.15;μB for V and -0.53;μB for Mo, whereas the Sr and Ba cases are calculated to be almost non-magnetic metals. Comparing the calculated density of states, we find that the heavier A implies stronger hybridization between the divalent atom sp states and the transition metal atom d states. The stronger sp-d hybridization is considered to be responsible for the suppression of magnetism for the Sr and Ba cases. These results, at least for the Fm3m space group, are in contrast with the recent experimental result proposing half-metallic antiferromagnetism for A= Ca and Sr.

  4. Theoretical study of the new zintl phases compounds K2ACdSb2 (A=(Sr, Ba))

    NASA Astrophysics Data System (ADS)

    Azam, Sikander; Reshak, A. H.

    2015-05-01

    The electronic structure and optical properties of K2SrCdSb2 and K2BaCdSb2 compounds are computed using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2k code. In this perspective, the local density approximation (LDA), generalized gradient approximation (GGA) and Engel and Vosko approximation (EV-GGA) were used for the exchange correlation potential. The calculated band structure shows a direct band gap of about 0.344/0.20 eV (LDA), 0.463/0.285 eV (GGA) and 0.904/0.707 eV (EV-GGA) for K2SrCdSb2/K2BaCdSb2 compounds. The part of different bands was scrutinized from total and partial density of states curves. There is strong hybridization between Sr-s and Sr-p states and also between Cd-d and Sb-s states in the valence band. The electronic charge density has also been studied in the (200) crystallographic plane. The K, Sr/Ba, Cd and Sb atoms shows ionic bonding. Besides this, the optical properties, including the dielectric function are obtained and analyzed in details.

  5. Effects of Sb addition on ZnO grain growth and the electrical characteristics of Ba-added-Bi-based ZnO varistors

    NASA Astrophysics Data System (ADS)

    Fukumori, A.; Kubota, A.; Sato, Y.; Yoshikado, S.

    2012-01-01

    The varistor voltage increases as the number of ZnO grain boundaries between electrodes increases. Therefore, in order to fabricate varistors with low varistor voltages, it is necessary to reduce the number of ZnO grain boundaries between electrodes. The present study uses this method for increasing the ZnO grain size. With the goal of fabricating varistors with low varistor voltages, the effect on the ZnO grain size of adding Sb to Bi- Ba-Co-Mn-added ZnO varistors was investigated. Ba was added in order to increase the ZnO grain size, and Sb was added in order to achieve a uniform ZnO grain size without reducing the grain size. The addition of a small amount of Sb reduced the formation of ZnO grains having a smaller grain size, and the addition of 0.02 mol% Sb to the 0.5-mol%-Bi- and 0.5 mol% Ba added ZnO varistor exhibited a low varistor voltage of approximately 31 V/mm and the highest resistance to electrical degradation, because compounds containing both Ba and Mn do not form at grain boundaries between ZnO grains.

  6. Structural and crystallization behavior of (Ba,Sr)TiO3 borosilicate glasses

    NASA Astrophysics Data System (ADS)

    Yadav, Avadhesh Kumar; Gautam, C. R.; Gautam, Arvind; Mishra, Vijay Kumar

    2013-10-01

    Various glass samples were prepared by melt quench technique in the glass system [(Ba1- x Sr x ) TiO3]-[2SiO2-B2O3]-[K2O] doped with 1 mole% of La2O3. Infrared spectra show the number of absorption peaks with different spliting in the wave number range from 450 to 4000 cm-1. Absorption peaks occurs due to asymetric vibrational streching of borate by relaxation of the bond B-O of trigonal BO3. Raman spectra show the Raman bands due to ring-type metaborate anions, symmetric breathing vibrations BO3 triangles replaced by BO4 tetrahedra, and symmetric breathing vibrations of six-member rings. The differential thermal analysis of a glass sample corresponding to composition x = 0.0 shows crystallization temperature at 847°C and glass transition temperature at 688°C. X-ray diffraction (XRD) pattern of glass ceramic samples shows the major crystalline phase of BaTiO3 whereas pyrochlore phases of barium titanium silicate. Scanning electron micrographs confirm the results of XRD as barium titanate is major crystalline phase along with pyrochlore phase of barium titanium silicate.

  7. Morphology and Properties of (Ba, Sr, Ca) Titanates Synthesized by Microwave-Assisted Hydrothermal Method

    NASA Astrophysics Data System (ADS)

    Souza, A. E.; Santos, G. T. A.; Silva, R. A.; Moreira, M. L.; Volante, D. P.; Teixeira, S. R.; Longo, E.

    2011-10-01

    Ba1-xCaxTiO3, Ba1-xSrxTiO3 and Sr1-xCaxTiO3 (x = 0, 0.25, 0.50, 0.75 and 1) nanoparticles were synthesized using the microwave-assisted hydrothermal method. Samples were prepared for 40 minutes at 140°C under a pressure of 3 MPa using an adapted domestic microwave oven. The samples were characterized by X-Ray diffraction (XRD), scanning electron microscopy (FE-SEM), and Raman, photoluminescence (PL) and ultraviolet-visible (UV-Vis) spectroscopies. XRD data show that ceramic powders have crystalline phases associated with a short-range structural disorder. This structural disorder is confirmed by Raman spectral bands indicating multi-phonon processes and the presence of defects or impurities. Such defects account for a broad band in the photoluminescence spectrum in the green light (460 nm) region for all samples. Gap energy variation, obtained from UV-Vis spectra, suggest a non-uniform band structure of these titanates in accordance with the PL results. The morphology of each sample is changed with doping and varies from a spherical to cubic appearance for energy minimization.

  8. ABO3 (A = La, Ba, Sr, K; B = Co, Mn, Fe) perovskites for thermochemical energy storage

    NASA Astrophysics Data System (ADS)

    Babiniec, Sean M.; Coker, Eric N.; Ambrosini, Andrea; Miller, James E.

    2016-05-01

    The use of perovskite oxides as a medium for thermochemical energy storage (TCES) in concentrating solar power systems is reported. The known reduction/oxidation (redox) active perovskites LaxSr1-xCoyMn1-yO3 (LSCM) and LaxSr1-xCoyFe1-yO3 (LSCF) were chosen as a starting point for such research. Materials of the LSCM and LSCF family were previously synthesized, their structure characterized, and thermodynamics reported for TCES operation. Building on this foundation, the reduction onset temperatures are examined for LSCM and LSCF compositions. The reduction extents and onset temperatures are tied to the crystallographic phase and reaction enthalpies. The effect of doping with Ba and K is discussed, and the potential shortcomings of this subset of materials families for TCES are described. The potential for long-term stability of the most promising material is examined through thermogravimetric cycling, scanning electron microscopy, and dilatometry. The stability over 100 cycles (450-1050 °C) of an LSCM composition is demonstrated.

  9. Improvement of electron mobility in La:BaSnO{sub 3} thin films by insertion of an atomically flat insulating (Sr,Ba)SnO{sub 3} buffer layer

    SciTech Connect

    Shiogai, Junichi Nishihara, Kazuki; Sato, Kazuhisa; Tsukazaki, Atsushi

    2016-06-15

    One perovskite oxide, ASnO{sub 3} (A = Sr, Ba), is a candidate for use as a transparent conductive oxide with high electron mobility in single crystalline form. However, the electron mobility of films grown on SrTiO{sub 3} substrates does not reach the bulk value, probably because of dislocation scattering that originates from the large lattice mismatch. This study investigates the effect of insertion of bilayer BaSnO{sub 3} / (Sr,Ba)SnO{sub 3} for buffering this large lattice mismatch between La:BaSnO{sub 3} and SrTiO{sub 3} substrate. The insertion of 200-nm-thick BaSnO{sub 3} on (Sr,Ba)SnO{sub 3} bilayer buffer structures reduces the number of dislocations and improves surface smoothness of the films after annealing as proved respectively by scanning transmission electron microscopy and atomic force microscopy. A systematic investigation of BaSnO{sub 3} buffer layer thickness dependence on Hall mobility of the electron transport in La:BaSnO{sub 3} shows that the highest obtained value of mobility is 78 cm{sup 2}V{sup −1}s{sup −1} because of its fewer dislocations. High electron mobility films based on perovskite BaSnO{sub 3} can provide a good platform for transparent-conducting-oxide electronic devices and for creation of fascinating perovskite heterostructures.

  10. Sharp ferroelectric phase transition in strained single-crystalline SrRuO3/Ba0.7Sr0.3TiO3/SrRuO3 capacitors

    NASA Astrophysics Data System (ADS)

    Dittmann, R.; Plonka, R.; Vasco, E.; Pertsev, N. A.; He, J. Q.; Jia, C. L.; Hoffmann-Eifert, S.; Waser, R.

    2003-12-01

    Single-crystalline all-perovskite SrRuO3/Ba0.7Sr0.3TiO3/SrRuO3 thin-film capacitors epitaxially grown on SrTiO3 exhibit a sharp paraelectric-to-ferroelectric phase transition at 350 K with a maximum permittivity of about 6660. This value is comparable to that of bulk ceramics and exceeds by several times the highest values reported for Ba0.7Sr0.3TiO3 thin film capacitors. The observed thickness dependence of the dielectric response is analyzed with the aid of a thermodynamic theory. It is shown that a weak decrease of the permittivity with the Ba0.7Sr0.3TiO3 thickness decreasing from 200 to 10 nm can be explained solely by the thickness-dependent strain relaxation in epitaxial films without assuming the presence of low-permittivity layers at the film/electrode interfaces.

  11. Luminescent nitridophosphates CaP2 N4 :Eu(2+) , SrP2 N4 :Eu(2+) , BaP2 N4 :Eu(2+) , and BaSr2 P6 N12 :Eu(2.).

    PubMed

    Pucher, Florian J; Marchuk, Alexey; Schmidt, Peter J; Wiechert, Detlef; Schnick, Wolfgang

    2015-04-20

    Nitridophosphates MP2 N4 :Eu(2+) (M=Ca, Sr, Ba) and BaSr2 P6 N12 :Eu(2+) have been synthesized at elevated pressures and 1100-1300 °C starting from the corresponding azides and P3 N5 with EuCl2 as dopant. Addition of NH4 Cl as mineralizer allowed for the growth of single crystals. This led to the successful structure elucidation of a highly condensed nitridophosphate from single-crystal X-ray diffraction data (CaP2 N4 :Eu(2+) (P63 , no. 173), a=16.847(2), c=7.8592(16) Å, V=1931.7(6) Å(3) , Z=24, 2033 observed reflections, 176 refined parameters, wR2 =0.096). Upon excitation by UV light, luminescence due to parity-allowed 4f(6) ((7) F)5d(1) →4f(7) ((8) S7/2 ) transition was observed in the orange (CaP2 N4 :Eu(2+) , λmax =575 nm), green (SrP2 N4 :Eu(2+) , λmax =529 nm), and blue regions of the visible spectrum (BaSr2 P6 N12 :Eu(2+) and BaP2 N4 :Eu(2+) , λmax =450 and 460 nm, respectively). Thus, the emission wavelength decreases with increasing ionic radius of the alkaline-earth ions. The corresponding full width at half maximum values (2240-2460 cm(-1) ) are comparable to those of other known Eu(2+) -doped (oxo)nitrides emitting in the same region of the visible spectrum. Following recently described quaternary Ba3 P5 N10 Br:Eu(2+) , this investigation represents the first report on the luminescence of Eu(2+) -doped ternary nitridophosphates. Similarly to nitridosilicates and related oxonitrides, Eu(2+) -doped nitridophosphates may have the potential to be further developed into efficient light-emitting diode phosphors.

  12. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

    DOE PAGES

    Stoyko, Stanislav; Voss, Leonard; He, Hua; ...

    2015-09-24

    New ternary arsenides AE3TrAs3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr3GaP3 and Ba3AlP3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr3AlAs3 and Ba3AlAs3 adopt the Ba3AlSb3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr3GaP3 and Ba3AlP3. Likewise, the compounds Sr3GaAs3 and Ba3GaAs3 crystallize with the Ba3GaSb3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn4 and GaPn4 tetrahedra (Pn = pnictogen, i.e.,more » P or As), separated by the alkaline-earth Sr2+ and Ba2+ cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE2+]3[Tr3+][Pn3-]3, or rather [AE2+]6[Tr2Pn6]12-, i.e., as Zintl phases.« less

  13. Structural evidence for enhanced polarization in a commensurate short-period BaTiO3/SrTiO3 superlattice

    NASA Astrophysics Data System (ADS)

    Tian, W.; Jiang, J. C.; Pan, X. Q.; Haeni, J. H.; Li, Y. L.; Chen, L. Q.; Schlom, D. G.; Neaton, J. B.; Rabe, K. M.; Jia, Q. X.

    2006-08-01

    A short-period (BaTiO3)6/(SrTiO3)5 superlattice was characterized by x-ray diffraction and transmission electron microscopy. The superlattice is epitaxially oriented with the c axes of BaTiO3 and SrTiO3 normal to the (001) surface of the SrTiO3 substrate. Despite the large in-plane lattice mismatch between BaTiO3 and SrTiO3 (˜2.2%), the superlattice interfaces were found to be nearly commensurate. The crystallographic c /a ratio of the superlattice was measured and the results agree quantitatively with first-principles calculations and phase-field modeling. The agreement supports the validity of the enhanced spontaneous polarization predicted for short-period BaTiO3/SrTiO3 superlattices.

  14. Effect of Sr doping on the electronic band structure and optical properties of ZnO: A first principle calculation

    NASA Astrophysics Data System (ADS)

    Mahmood, Asad; Tezcan, Fatih; Kardaş, Gülfeza; Karadaǧ, Faruk

    2017-09-01

    Incorporating impurities in ZnO provide opportunities to manipulate its electronic and optical properties, which can be exploited for optoelectronic device applications. Among various elements doped in ZnO crystal structure, limited attempts have been accounted for the Sr-doped ZnO system. Further, no theoretical evidence has been reported so far to explore the Sr-doped ZnO frameworks. Here, we report first principle study for the pure and Sr-doped ZnO (Zn1-xSrxO) structure. We employed the Perdew-Burke-Ernzerhof exchange-correlation function parameters in generalized gradient approximations. In light of these estimations, we calculated the electronic band gap, density of states, and optical parameters, for example, absorption, dielectric functions, reflectivity, refractive index, and energy-loss. The studies suggested that Sr incorporation expanded the optical band gap of ZnO. In addition, the energy-loss significantly increased with Sr content which might be associated with an increase in the degree of disorder in the crystal lattice with Sr incorporation. Also, significant changes were seen in the optical properties of ZnO with Sr content in the low energy region. The theoretical results were likewise compared with the previously reported experimental data.

  15. Local structure in perovskite (Ba,Sr)TiO3: Reverse Monte Carlo refinements from multiple measurement techniques

    NASA Astrophysics Data System (ADS)

    Levin, Igor; Krayzman, Victor; Woicik, Joseph C.

    2014-01-01

    Local and average structures of ceramic Ba1-xSrxTiO3 solid solutions have been reconciled using Reverse Monte Carlo (RMC) refinements of atomic positions that employ simultaneous fitting of neutron total scattering data, x-ray absorption fine structure, and patterns of diffuse scattering in electron diffraction. These refinements enable explicit reconstruction of three-dimensional atomic configurations without any effective parameters. The results reveal cube- and parallelepiped-shaped probability density distributions for Ti atoms in the cubic and tetragonal phases of BaTiO3, respectively. These distributions are consistent with the split Ti sites (eight for the cubic and four for the tetragonal polymorphs) separated by ≈0.2 Å. The characters of Ti distributions are retained in the solid solutions, but the magnitude of Ti off-centering decreases as x increases. The Ti displacements remain correlated along the octahedral chains, at least up to x = 0.5, as manifested in the sheets of diffuse scattering in electron diffraction patterns; the correlation parameters and lengths have been quantified using RMC analyses. The ion-size difference between Ba and Sr is accommodated through the approximately isotropic relaxation of the oxygen atoms, which shift toward Sr; a similar relaxation is observed for the Ti atoms. Local Ti off-centering diminishes as the number of Sr atoms in the coordination groups [TiOxBa8-nSrn] increases.

  16. Ba(Zn1−2xMnxCux)2As2: A Bulk Form Diluted Ferromagnetic Semiconductor with Mn and Cu Codoping at Zn Sites

    PubMed Central

    Man, Huiyuan; Guo, Shengli; Sui, Yu; Guo, Yang; Chen, Bin; Wang, Hangdong; Ding, Cui; Ning, F.L.

    2015-01-01

    We report the synthesis and characterization of a bulk form diluted magnetic semiconductor Ba(Zn1−2xMnxCux)2As2 with the crystal structure identical to that of “122” family iron based superconductors and the antiferromagnet BaMn2As2. No ferromagnetic order occurs with (Zn, Mn) or (Zn, Cu) substitution in the parent compound BaZn2As2. Only when Zn is substituted by both Mn and Cu simultaneously, can the system undergo a ferromagnetic transition below TC ~ 70 K, followed by a magnetic glassy transition at Tf  ~ 35 K. AC susceptibility measurements for Ba(Zn0.75Mn0.125Cu0.125)2As2 reveal that Tf strongly depends on the applied frequency with and a DC magnetic field dependence of , demonstrating that a spin glass transition takes place at Tf. As large as −53% negative magnetoresistance has been observed in Ba(Zn1−2xMnxCux)2As2, enabling its possible application in memory devices. PMID:26492957

  17. Ba(Zn(1-2x)MnxCux)2As2: A Bulk Form Diluted Ferromagnetic Semiconductor with Mn and Cu Codoping at Zn Sites.

    PubMed

    Man, Huiyuan; Guo, Shengli; Sui, Yu; Guo, Yang; Chen, Bin; Wang, Hangdong; Ding, Cui; Ning, F L

    2015-10-23

    We report the synthesis and characterization of a bulk form diluted magnetic semiconductor Ba(Zn(1-2x)MnxCux)2As2 (0.025 ≤ x ≤ 0.2) with the crystal structure identical to that of "122" family iron based superconductors and the antiferromagnet BaMn2As2. No ferromagnetic order occurs with (Zn, Mn) or (Zn, Cu) substitution in the parent compound BaZn2As2. Only when Zn is substituted by both Mn and Cu simultaneously, can the system undergo a ferromagnetic transition below TC ~ 70 K, followed by a magnetic glassy transition at Tf  ~ 35 K. AC susceptibility measurements for Ba(Zn0.75Mn0.125Cu0.125)2As2 reveal that Tf strongly depends on the applied frequency with [formula in text] and a DC magnetic field dependence of [formula in text], demonstrating that a spin glass transition takes place at Tf. As large as -53% negative magnetoresistance has been observed in Ba(Zn(1-2x)MnxCux)2As2, enabling its possible application in memory devices.

  18. New observations on the pressure dependence of luminescence from Eu2+-doped MF2 (M = Ca, Sr, Ba) fluorides.

    PubMed

    Su, Fu Hai; Chen, Wei; Ding, Kun; Li, Guo Hua

    2008-05-29

    The luminescence from Eu(2+) ions in MF2 (M = Ca, Sr, Ba) fluorides has been investigated under the pressure range of 0-8 GPa. The emission band originating from the 4f(6)5d(1) --> 4f(7) transition of Eu(2+) ions in CaF2 and SrF2 shows the red-shift as increasing pressure with pressure coefficients of -17 meV/GPa for CaF2 and -18 meV/GPa for SrF2. At atmospheric pressure, the emission spectrum of BaF2:Eu(2+) comprises two peaks at 2.20 and 2.75 eV from the impurity trapped exciton (ITE) and the self-trapped exciton (STE), respectively. As the pressure is increased, both emission peaks shift to higher energies, and the shifting rate is slowed by the phase transition from the cubic to orthorhombic phase at 4 GPa. Due to the phase transition at 4-5 GPa pressure, the ITE emission disappears gradually, and the STE emission is gradually replaced by the 4f(6)5d(1) --> 4f(7) transition of Eu(2+). Above 5 GPa, the pressure behavior of the 4f(6)5d(1) --> 4f(7) transition of Eu(2+) in BaF2:Eu(2+) is the same as the normal emission of Eu(2+) in CaF2 and SrF2 phosphors.

  19. Halide Free M(BH4)2 (M = Sr, Ba, and Eu) Synthesis, Structure, and Decomposition.

    PubMed

    Sharma, Manish; Didelot, Emilie; Spyratou, Alexandra; Lawson Daku, Latévi Max; Černý, Radovan; Hagemann, Hans

    2016-07-18

    Borohydrides have attained high interest in the past few years due to their high volumetric and gravimetric hydrogen content. Synthesis of di/trimetallic borohydride is a way to alter the thermodynamics of hydrogen release from borohydrides. Previously reported preparations of M(BH4)2 involved chloride containing species such as SrCl2. The presence of residual chloride (or other halide) ions in borohydrides may change their thermodynamic behavior and their decomposition pathway. Pure monometallic borohydrides are needed to study decomposition products without interference from halide impurities. They can also be used as precursors for synthesizing di/trimetallic borohydrides. In this paper we present a way to synthesize halide free alkaline earth metal (Sr, Ba) and europium borohydrides starting with the respective hydrides as precursors. Two novel high temperature polymorphs of Sr and Eu borohydrides and four polymorphs of Ba borohydride have been characterized by synchrotron X-ray powder diffraction, thermal analysis, and Raman and infrared spectroscopy and supported by periodic DFT calculations. The decomposition routes of these borohydrides have also been investigated. In the case of the decomposition of strontium and europium borohydrides, the metal borohydride hydride (M(BH4)H3, M = Sr, Eu) is observed and characterized. Periodic DFT calculations performed on room temperature Ba(BH4)2 revealed the presence of bidentate and tridentate borohydrides.

  20. Interface Control of Ferroelectricity in an SrRuO3 /BaTiO3 /SrRuO3 Capacitor and its Critical Thickness.

    PubMed

    Shin, Yeong Jae; Kim, Yoonkoo; Kang, Sung-Jin; Nahm, Ho-Hyun; Murugavel, Pattukkannu; Kim, Jeong Rae; Cho, Myung Rae; Wang, Lingfei; Yang, Sang Mo; Yoon, Jong-Gul; Chung, Jin-Seok; Kim, Miyoung; Zhou, Hua; Chang, Seo Hyoung; Noh, Tae Won

    2017-05-01

    The atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. In this study, it is demonstrated that the oxygen pressure (PO2) during growth plays an important role in controlling the interfacial terminations of SrRuO3 /BaTiO3 /SrRuO3 (SRO/BTO/SRO) ferroelectric (FE) capacitors. The SRO/BTO/SRO heterostructures are grown by a pulsed laser deposition method. The top SRO/BTO interface, grown at high PO2 (around 150 mTorr), usually exhibits a mixture of RuO2 -BaO and SrO-TiO2 terminations. By reducing PO2, the authors obtain atomically sharp SRO/BTO top interfaces with uniform SrO-TiO2 termination. Using capacitor devices with symmetric and uniform interfacial termination, it is demonstrated for the first time that the FE critical thickness can reach the theoretical limit of 3.5 unit cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Interface Control of Ferroelectricity in an SrRuO3/BaTiO3/SrRuO3 Capacitor and its Critical Thickness

    DOE PAGES

    Shin, Yeong Jae; Kim, Yoonkoo; Kang, Sung -Jin; ...

    2017-03-03

    Here, the atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. In this study, it is demonstrated that the oxygen pressure (PO2) during growth plays an important role in controlling the interfacial terminations of SrRuO3/BaTiO3/SrRuO3 (SRO/BTO/SRO) ferroelectric (FE) capacitors. The SRO/BTO/SRO heterostructures are grown by a pulsed laser deposition method. The top SRO/BTO interface, grown at high PO2 (around 150 mTorr), usually exhibits a mixture of RuO2-BaO and SrO-TiO2 terminations. By reducing PO2,more » the authors obtain atomically sharp SRO/BTO top interfaces with uniform SrO-TiO2 termination. Using capacitor devices with symmetric and uniform interfacial termination, it is demonstrated for the first time that the FE critical thickness can reach the theoretical limit of 3.5 unit cells.« less

  2. Superconducting and normal-state properties of APd2As2 (A = Ca, Sr, Ba) single crystals

    NASA Astrophysics Data System (ADS)

    Anand, V. K.; Kim, H.; Tanatar, M. A.; Prozorov, R.; Johnston, D. C.

    2013-06-01

    The synthesis and crystallography, magnetic susceptibility χ, magnetization M, specific heat Cp, in-plane electrical resistivity ρ, and in-plane magnetic penetration depth measurements are reported for single crystals of APd2As2 (A = Ca, Sr, Ba) versus temperature T and magnetic field H. The crystals were grown using PdAs self-flux. CaPd2As2 and SrPd2As2 crystallize in a collapsed body-centered tetragonal ThCr2Si2-type structure (I4/mmm), whereas BaPd2As2 crystallizes in the primitive tetragonal CeMg2Si2-type structure (P4/mmm), in agreement with literature data. The ρ(T) data exhibit metallic behavior for all three compounds. Bulk superconductivity is reported for CaPd2As2 and SrPd2As2 below Tc=1.27 and 0.92 K, respectively, whereas only a trace of superconductivity is found in BaPd2As2. No other phase transitions were observed. The χ(T) and M(H) data reveal anisotropic diamagnetism in the normal state, with χc>χab for CaPd2As2 and BaPd2As2, and χc<χab for SrPd2As2. The normal and superconducting state data indicate that CaPd2As2 and SrPd2As2 are conventional type-II nodeless s-wave electron-phonon superconductors. The electronic superconducting state heat capacity data for CaPd2As2, which has an extremely sharp heat capacity jump at Tc, are analyzed using our recent elaboration of the α-model of the BCS theory of superconductivity, which indicates that the s-wave gap in this compound is anisotropic in momentum space.

  3. Unique antitumor property of the Mg-Ca-Sr alloys with addition of Zn

    PubMed Central

    Wu, Yuanhao; He, Guanping; Zhang, Yu; Liu, Yang; Li, Mei; Wang, Xiaolan; Li, Nan; Li, Kang; Zheng, Guan; Zheng, Yufeng; Yin, Qingshui

    2016-01-01

    In clinical practice, tumor recurrence and metastasis after orthopedic prosthesis implantation is an intensely troublesome matter. Therefore, to develop implant materials with antitumor property is extremely necessary and meaningful. Magnesium (Mg) alloys possess superb biocompatibility, mechanical property and biodegradability in orthopedic applications. However, whether they possess antitumor property had seldom been reported. In recent years, it showed that zinc (Zn) not only promote the osteogenic activity but also exhibit good antitumor property. In our present study, Zn was selected as an alloying element for the Mg-1Ca-0.5Sr alloy to develop a multifunctional material with antitumor property. We investigated the influence of the Mg-1Ca-0.5Sr-xZn (x = 0, 2, 4, 6 wt%) alloys extracts on the proliferation rate, cell apoptosis, migration and invasion of the U2OS cell line. Our results show that Zn containing Mg alloys extracts inhibit the cell proliferation by alteration the cell cycle and inducing cell apoptosis via the activation of the mitochondria pathway. The cell migration and invasion property were also suppressed by the activation of MAPK (mitogen-activated protein kinase) pathway. Our work suggests that the Mg-1Ca-0.5Sr-6Zn alloy is expected to be a promising orthopedic implant in osteosarcoma limb-salvage surgery for avoiding tumor recurrence and metastasis. PMID:26907515

  4. Unique antitumor property of the Mg-Ca-Sr alloys with addition of Zn.

    PubMed

    Wu, Yuanhao; He, Guanping; Zhang, Yu; Liu, Yang; Li, Mei; Wang, Xiaolan; Li, Nan; Li, Kang; Zheng, Guan; Zheng, Yufeng; Yin, Qingshui

    2016-02-24

    In clinical practice, tumor recurrence and metastasis after orthopedic prosthesis implantation is an intensely troublesome matter. Therefore, to develop implant materials with antitumor property is extremely necessary and meaningful. Magnesium (Mg) alloys possess superb biocompatibility, mechanical property and biodegradability in orthopedic applications. However, whether they possess antitumor property had seldom been reported. In recent years, it showed that zinc (Zn) not only promote the osteogenic activity but also exhibit good antitumor property. In our present study, Zn was selected as an alloying element for the Mg-1Ca-0.5Sr alloy to develop a multifunctional material with antitumor property. We investigated the influence of the Mg-1Ca-0.5Sr-xZn (x = 0, 2, 4, 6 wt%) alloys extracts on the proliferation rate, cell apoptosis, migration and invasion of the U2OS cell line. Our results show that Zn containing Mg alloys extracts inhibit the cell proliferation by alteration the cell cycle and inducing cell apoptosis via the activation of the mitochondria pathway. The cell migration and invasion property were also suppressed by the activation of MAPK (mitogen-activated protein kinase) pathway. Our work suggests that the Mg-1Ca-0.5Sr-6Zn alloy is expected to be a promising orthopedic implant in osteosarcoma limb-salvage surgery for avoiding tumor recurrence and metastasis.

  5. Unique antitumor property of the Mg-Ca-Sr alloys with addition of Zn

    NASA Astrophysics Data System (ADS)

    Wu, Yuanhao; He, Guanping; Zhang, Yu; Liu, Yang; Li, Mei; Wang, Xiaolan; Li, Nan; Li, Kang; Zheng, Guan; Zheng, Yufeng; Yin, Qingshui

    2016-02-01

    In clinical practice, tumor recurrence and metastasis after orthopedic prosthesis implantation is an intensely troublesome matter. Therefore, to develop implant materials with antitumor property is extremely necessary and meaningful. Magnesium (Mg) alloys possess superb biocompatibility, mechanical property and biodegradability in orthopedic applications. However, whether they possess antitumor property had seldom been reported. In recent years, it showed that zinc (Zn) not only promote the osteogenic activity but also exhibit good antitumor property. In our present study, Zn was selected as an alloying element for the Mg-1Ca-0.5Sr alloy to develop a multifunctional material with antitumor property. We investigated the influence of the Mg-1Ca-0.5Sr-xZn (x = 0, 2, 4, 6 wt%) alloys extracts on the proliferation rate, cell apoptosis, migration and invasion of the U2OS cell line. Our results show that Zn containing Mg alloys extracts inhibit the cell proliferation by alteration the cell cycle and inducing cell apoptosis via the activation of the mitochondria pathway. The cell migration and invasion property were also suppressed by the activation of MAPK (mitogen-activated protein kinase) pathway. Our work suggests that the Mg-1Ca-0.5Sr-6Zn alloy is expected to be a promising orthopedic implant in osteosarcoma limb-salvage surgery for avoiding tumor recurrence and metastasis.

  6. Electronic structure of Ba (Zn0.875Mn0.125)2As2

    NASA Astrophysics Data System (ADS)

    Zhu, Fengfeng; Jiang, W. X.; Li, P.; Yang, Z. Q.; Man, H. Y.; Li, Y. Y.; Liu, Canhua; Guan, Dandan; Jia, Jin-Feng; Ning, F. L.; Luo, Weidong; Qian, Dong

    2017-08-01

    The electronic structure of single-crystalline Ba(Zn0.875Mn0.125)2As2, the parent compound of the recently found high-temperature ferromagnetic semiconductor-(Ba,K)(Zn,Mn)2As2, was studied by high-resolution angle-resolved photoemission spectroscopy. A flat band related to the 3d states of the doped Mn atoms was observed at the binding energy of ˜ -1.6 eV besides the previously reported feature at about -3.3 eV. The spectral weight of this feature is much stronger than that obtained from density functional theory calculations. We proposed that the large spectral weight could originate from the hybridization between Mn and As orbitals. The overall band dispersions agree well with the first-principles calculations of undoped BaZn2As2 except that the total bandwidth of the valence band is larger than that calculated. The increased bandwidth after Mn doping is compatible with the proposed theoretical model.

  7. Electrophoretic Deposition of Chitosan/45S5 Bioactive Glass Composite Coatings Doped with Zn and Sr.

    PubMed

    Miola, Marta; Verné, Enrica; Ciraldo, Francesca Elisa; Cordero-Arias, Luis; Boccaccini, Aldo R

    2015-01-01

    In this research work, the original 45S5 bioactive glass was modified by introducing zinc and/or strontium oxide (6 mol%) in place of calcium oxide. Sr was added for its ability to stimulate bone formation and Zn for its role in bone metabolism, antibacterial properties, and anti-inflammatory effect. The glasses were produced by means of melting and quenching process. SEM and XRD analyses evidenced that Zr and Sr introduction did not modify the glass structure and morphology while compositional analysis (EDS) demonstrated the effective incorporation of these elements in the glass network. Bioactivity test in simulated body fluid (SBF) up to 1 month evidenced a reduced bioactivity kinetics for Zn-doped glasses. Doped glasses were combined with chitosan to produce organic/inorganic composite coatings on stainless steel AISI 316L by electrophoretic deposition (EPD). Two EPD processes were considered for coating development, namely direct current EPD (DC-EPD) and alternating current EPD (AC-EPD). The stability of the suspension was analyzed and the deposition parameters were optimized. Tape and bending tests demonstrated a good coating-substrate adhesion for coatings containing 45S5-Sr and 45S5-ZnSr glasses, whereas the adhesion to the substrate decreased by using 45S5-Zn glass. FTIR analyses demonstrated the composite nature of coatings and SEM observations indicated that glass particles were well integrated in the polymeric matrix, the coatings were fairly homogeneous and free of cracks; moreover, the AC-EPD technique provided better results than DC-EPD in terms of coating quality. SEM, XRD analyses, and Raman spectroscopy, performed after bioactivity test in SBF solution, confirmed the bioactive behavior of 45S5-Sr-containing coating while coatings containing Zn exhibited no hydroxyapatite formation.

  8. Electrophoretic Deposition of Chitosan/45S5 Bioactive Glass Composite Coatings Doped with Zn and Sr

    PubMed Central

    Miola, Marta; Verné, Enrica; Ciraldo, Francesca Elisa; Cordero-Arias, Luis; Boccaccini, Aldo R.

    2015-01-01

    In this research work, the original 45S5 bioactive glass was modified by introducing zinc and/or strontium oxide (6 mol%) in place of calcium oxide. Sr was added for its ability to stimulate bone formation and Zn for its role in bone metabolism, antibacterial properties, and anti-inflammatory effect. The glasses were produced by means of melting and quenching process. SEM and XRD analyses evidenced that Zr and Sr introduction did not modify the glass structure and morphology while compositional analysis (EDS) demonstrated the effective incorporation of these elements in the glass network. Bioactivity test in simulated body fluid (SBF) up to 1 month evidenced a reduced bioactivity kinetics for Zn-doped glasses. Doped glasses were combined with chitosan to produce organic/inorganic composite coatings on stainless steel AISI 316L by electrophoretic deposition (EPD). Two EPD processes were considered for coating development, namely direct current EPD (DC-EPD) and alternating current EPD (AC-EPD). The stability of the suspension was analyzed and the deposition parameters were optimized. Tape and bending tests demonstrated a good coating-substrate adhesion for coatings containing 45S5-Sr and 45S5-ZnSr glasses, whereas the adhesion to the substrate decreased by using 45S5-Zn glass. FTIR analyses demonstrated the composite nature of coatings and SEM observations indicated that glass particles were well integrated in the polymeric matrix, the coatings were fairly homogeneous and free of cracks; moreover, the AC-EPD technique provided better results than DC-EPD in terms of coating quality. SEM, XRD analyses, and Raman spectroscopy, performed after bioactivity test in SBF solution, confirmed the bioactive behavior of 45S5-Sr-containing coating while coatings containing Zn exhibited no hydroxyapatite formation. PMID:26539431

  9. Ultrasound-assisted synthesis of poly(MMA-co-BA)/ZnO nanocomposites with enhanced physical properties.

    PubMed

    Poddar, Maneesh Kumar; Sharma, Sachin; Pattipaka, Srinivas; Pamu, D; Moholkar, Vijayanand S

    2017-11-01

    The present study reports synthesis and characterization of poly(MMA-co-BA)/ZnO nanocomposites using ultrasound-assisted in-situ emulsion polymerization. Methyl methacrylate (MMA) was copolymerized with butyl acrylate (BA), for enhanced ductility of copolymer matrix, in presence of nanoscale ZnO particles. Ultrasound generated strong micro-turbulence in reaction mixture, which resulted in higher encapsulation and uniform dispersion of ZnO (in native form - without surface modification) in polymer matrix, as compared to mechanical stirring. The nanocomposites were characterized for physical properties and structural morphology using standard techniques such as XRD, FTIR, particle size analysis, UV-Visible spectroscopy, electrical conductivity, TGA, DSC, FE-SEM and TEM. Copolymerization of MMA and BA (in presence of ZnO) followed second order kinetics. Thermal stability (T10%=324.9°C) and glass transition temperature (Tg=67.8°C) of poly(MMA-co-BA)/ZnO nanocomposites showed significant enhancement (35.1°C for 1wt% ZnO and 15.7°C for 4wt% ZnO, respectively), as compared to pristine poly(MMA-co-BA). poly(MMA-co-BA)/ZnO (5wt%) nanocomposites possessed the highest electrical conductivity of 0.192μS/cm and peak UV absorptivity of 0.55 at 372nm. Solution rheological study of nanocomposites revealed enhancement in viscosity with increasing ZnO loading. Maximum viscosity of 0.01Pa-s was obtained for 5wt% ZnO loading. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Elemental intermixing within an ultrathin SrRuO{sub 3} electrode layer in epitaxial heterostructure BaTiO{sub 3}/SrRuO{sub 3}/SrTiO{sub 3}

    SciTech Connect

    Zhang, H. B.; Qi, R. J.; Ding, N. F.; Sun, L.; Huang, R.; Duan, C. G. Chu, J. H.; Fisher, Craig A. J.; Ikuhara, Y.

    2016-01-15

    Aberration corrected scanning transmission electron microscopy is used to directly observe atom columns in an epitaxial BaTiO{sub 3} thin film deposited on a 3.6 nm-thick SrRuO{sub 3} electrode layer above an SrTiO{sub 3} (001) substrate. Compositional gradients across the heterointerfaces were examined using electron energy-loss spectroscopy techniques. It was found that a small amount of Ba and Ti had diffused into the SrRuO{sub 3} layer, and that this layer contained a non-negligible concentration of oxygen vacancies. Such point defects are expected to degrade the electrode’s electronic conductivity drastically, resulting in a much longer screening length. This may explain the discrepancy between experimental measurements and theoretical estimates of the ferroelectric critical thickness of a BaTiO{sub 3} ferroelectric barrier sandwiched between metallic SrRuO{sub 3} electrodes, since theoretical calculations generally assume ideal (stoichiometric) perovskite SrRuO{sub 3}.

  11. Half-metallicity and stability of the rock salt BaC and SrC (111) surfaces: A density functional study

    SciTech Connect

    Tabatabaeifar, A. H.; Davatolhagh, S. Foroughpour, M.

    2013-12-07

    The electronic structure and magnetic properties of relaxed (111) surfaces of the alkaline-earth monocarbides BaC and SrC in the stable rock salt structure, are calculated on the basis of first principle density functional theory within the framework of self-consistent field plane wave pseudo-potential method, using the generalized gradient approximation for the exchange-correlation functional. The results of this study reveal that the C-terminated (111) surfaces retain the bulk half-metallic property in both BaC and SrC. The half-metallicity of the C-terminated BaC surface is found to be more robust compared to the bulk BaC due to the larger half-metallic energy gap. In contrast, the half-metallic energy gap of the C-terminated SrC surface is found to be smaller than that of the bulk. The Ba-terminated surface of BaC and the Sr-terminated surface of SrC, however, lose their bulk half-metallicity due to the formation of surface states in the majority spin band gap. The calculations also show that the atomic magnetic moments at the half-metallic C-terminated surfaces in both BaC and SrC increase considerably with respect to the corresponding bulk values, which is explained in terms of an increase in the number of unpaired 2p electrons of the carbon atom at the surface. We also discuss the stability of the surfaces via the calculated bulk formation energies. The bulk formation energies for both BaC and SrC in the rock salt structure are found to be positive, which indicate that the surfaces are not stable at normal pressure and temperature conditions, and non-equilibrium growth techniques may be required for the realization of BaC and SrC thin films.

  12. Crystal structures and chemistry of double perovskites Ba{sub 2}M(II)M'(VI)O{sub 6} (M=Ca, Sr, M'=Te, W, U)

    SciTech Connect

    Fu, W.T. Au, Y.S.; Akerboom, S.; IJdo, D.J.W.

    2008-09-15

    Structures of the double perovskites Ba{sub 2}M(II)M '(VI)O{sub 6} (M=Ca, Sr, M'=Te, W, U) at room temperature have been investigated by the Rietveld method using X-ray and neutron powder diffraction data. For double perovskites with M=Sr, the observed space groups are I2/m (M' =W) and R3-bar (M'=Te), respectively. In the case of M=Ca, the space groups are either monoclinic P2{sub 1}/n (M'=U) or cubic Fm3-bar m (M'=W and Te). The tetragonal and orthorhombic symmetry reported earlier for Ba{sub 2}SrTeO{sub 6} and Ba{sub 2}CaUO{sub 6}, respectively, were not observed. In addition, non-ambient X-ray diffraction data were collected and analyzed for Ba{sub 2}SrWO{sub 6} and Ba{sub 2}CaWO{sub 6} in the temperature range between 80 and 723 K. It was found that the rhombohedral R3-bar structure exists in Ba{sub 2}SrWO{sub 6} above room temperature between the monoclinic and the cubic structure, whereas the cubic Ba{sub 2}CaWO{sub 6} undergoes a structural phase transition at low temperature to the tetragonal I4/m structure. - Graphical abstract: Evolution of structures as function of temperature in Ba{sub 2}SrWO{sub 6} (left) and Ba{sub 2}CaWO{sub 6} (right). The existence of two phase region in Ba{sub 2}SrWO{sub 6} can be clearly seen by the progressive increase of the rhombohedral R3-bar phase marked by asterisk (*)

  13. Out-of-plane easy-axis in thin films of diluted magnetic semiconductor Ba1-xKx(Zn1-yMny)2As2

    NASA Astrophysics Data System (ADS)

    Wang, R.; Huang, Z. X.; Zhao, G. Q.; Yu, S.; Deng, Z.; Jin, C. Q.; Jia, Q. J.; Chen, Y.; Yang, T. Y.; Jiang, X. M.; Cao, L. X.

    2017-04-01

    Single-phased, single-oriented thin films of Mn-doped ZnAs-based diluted magnetic semiconductor (DMS) Ba1-xKx(Zn1-yMny)2As2 (x = 0.03, 0.08; y = 0.15) have been deposited on Si, SrTiO3, LaAlO3, (La,Sr)(Al,Ta)O3, and MgAl2O4 substrates, respectively. Utilizing a combined synthesis and characterization system excluding the air and further optimizing the deposition parameters, high-quality thin films could be obtained and be measured showing that they can keep inactive-in-air up to more than 90 hours characterized by electrical transport measurements. In comparison with films of x = 0.03 which possess relatively higher resistivity, weaker magnetic performances, and larger energy gap, thin films of x = 0.08 show better electrical and magnetic performances. Strong magnetic anisotropy was found in films of x = 0.08 grown on (La,Sr)(Al,Ta)O3 substrate with their magnetic polarization aligned almost solely on the film growth direction.

  14. Determining Solute Sources and Water Flowpaths in a Forested Headwater Catchment: Advances With the Ca-Sr-Ba Multi-tracer

    NASA Astrophysics Data System (ADS)

    Bullen, T. D.; Bailey, S. W.; McGuire, K. J.; Zimmer, M. A.; Ross, D. S.

    2011-12-01

    Determining solute sources and water flowpaths in catchments is of critical importance to development of models that effectively describe catchment function. For solutes in soil water and stream water, simple mass balance models that compare precipitation input to catchment outlet compositions can predict average mineral weathering contributions for the catchment as a whole, but fail to provide information about either variability of contributions from different portions of the catchment and different soil depths or processes such as ion exchange and biological cycling. In order to better understand how forested headwater catchments function, we are interpreting concentration and isotope ratios of the alkaline earth elements Ca, Sr and Ba in streamwater, groundwater, the soil ion exchange pool and plants in a hydropedologic context at the 41 hectare hydrologic reference catchment (Watershed 3) at the Hubbard Brook Experimental Forest, New Hampshire, USA. This forested headwater catchment consists of a beech-birch-maple-spruce forest growing on vertically- and laterally-developed Spodosols and Inceptisols formed on granitoid glacial till that mantles Paleozoic metamorphic bedrock. Across the watershed in terms of the soil ion exchange pool, the forest floor has high Sr/Ba and Ca/Sr ratios, mineral soils have intermediate Sr/Ba and low Ca/Sr, and relatively unweathered till in the C horizon has low Sr/Ba and high Ca/Sr. Waters moving through these various compartments will obtain Sr/Ba and Ca/Sr ratios reflecting these characteristics, and thus variations of Sr/Ba and Ca/Sr of streamwater provide evidence of the depth of water flowpaths feeding the streams. 87Sr/86Sr of exchangeable Sr spans a broad range from 0.715 to 0.725, with highest values along the mid-to upper flanks of the catchment and lowest values in a broad zone along the central axis of the catchment associated with numerous groundwater seeps. Thus, variations of 87Sr/86Sr in streamwater provide

  15. The in vitro biological properties of Mg-Zn-Sr alloy and superiority for preparation of biodegradable intestinal anastomosis rings

    PubMed Central

    Liu, Ling; Li, Nianfeng; Lei, Ting; Li, Kaimo; Zhang, Yangde

    2014-01-01

    Background Magnesium (Mg) alloy is a metal-based biodegradable material that has received increasing attention in the field of clinical surgery, but it is currently seldom used in intestinal anastomosis. This study was conducted to comprehensively assess a ternary magnesium (Mg)-zinc (Zn)-strontium (Sr) alloy’s biological superiorities as a preparation material for intestinal anastomosis ring. Material/Methods Mouse L-929 fibroblasts were cultured with Mg-Zn-Sr alloy extract and compared with both positive (0.64% phenol) and negative (original broth culture) controls. The cell morphology of different groups was examined using microscopy, and a cytotoxicity assessment was performed. Fresh anticoagulated human blood was mixed with Mg-Zn-Sr alloy extract and compared with both positive (distilled water) and negative (normal saline) controls. The absorbance of each sample at 570 nm was used to calculate the Mg-Zn-Sr alloy hemolysis ratio in order to test the Mg alloy’s blood compatibility. Bacterial cultures of Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus were added to Mg-Zn-Sr alloy block samples and compared with positive (Ceftazidime), negative (316LSS stainless steel), and blank controls. The broth cultures were sampled to compare their bacterial colony counts so as to evaluate the antibacterial properties of the Mg-Zn-Sr alloy. The Mg-Zn-Sr alloy was surface-coated with a layer of poly(lactic-co-glycolic acid) carrying everolimus. The surface morphology and degradability of the coating were examined so as to demonstrate feasibility of coating, which can release the drug evenly. Results The experiments proved that Mg-Zn-Sr alloy has good biocompatible, antibacterial, and drug-loaded coating performances, which are lacking in existing intestinal anastomosis devices/materials. Conclusions The Mg-Zn-Sr alloy increases biocompatibility, and yields a safer and better therapeutic effect; therefore, it is a novel biomaterial that is feasible for

  16. The new barium zinc mercurides Ba{sub 3}ZnHg{sub 10} and BaZn{sub 0.6}Hg{sub 3.4} - Synthesis, crystal and electronic structure

    SciTech Connect

    Schwarz, Michael; Wendorff, Marco; Roehr, Caroline

    2012-12-15

    The title compounds Ba{sub 3}ZnHg{sub 10} and BaZn{sub 0.6}Hg{sub 3.4} were synthesized from stoichiometric ratios of the elements in Ta crucibles. Their crystal structures, which both represent new structure types, have been determined using single crystal X-ray data. The structure of Ba{sub 3}ZnHg{sub 10} (orthorhombic, oP28, space group Pmmn, a=701.2(3), b=1706.9(8), c=627.3(3)pm, Z=2, R1=0.0657) contains folded 4{sup 4} Hg nets, where the meshes form the bases of flat rectangular pyramids resembling the structure of BaAl{sub 4}. The flat pyramids are connected via Hg-Zn/Hg bonds, leaving large channels at the folds, in which Ba(1) and Hg(2) atoms alternate. Whereas the remaining Hg/Zn atoms form a covalent 3D network of three- to five-bonded atoms with short M-M distances (273-301 pm; CN 9-11), the Hg(2) atoms in the channels adopt a comparatively large coordination number of 12 and increased distances (317-348 pm) to their Zn/Hg neighbours. In the structure of BaZn{sub 0.6}Hg{sub 3.4} (cubic, cI320, space group I4{sup Macron }3d, a=2025.50(7) pm, Z=64, R1=0.0440), with a chemical composition not much different from that of Ba{sub 3}ZnHg{sub 10}, the Zn/Hg atoms of the mixed positions M(1/2) are arranged in an slightly distorted primitive cubic lattice with a 4 Multiplication-Sign 4 Multiplication-Sign 4 subcell relation to the unit cell. The 24 of the originating 64 cubes contain planar cis tetramers Hg(5,6){sub 4} with Hg in a nearly trigonal planar or tetrahedral coordination. In another 24 of the small cubes, two opposing faces are decorated by Hg(3,4){sub 2} dumbbells, two by Ba(2) atoms respectively. The third type of small cubes are centered by Ba(1) atoms only. The complex 3D polyanionic Hg/Zn network thus formed is compared with the Hg partial structure in Rb{sub 3}Hg{sub 20} applying a group-subgroup relation. Despite their different overall structures, the connectivity of the negatively charged Hg atoms, the rather metallic Zn bonding characteristic

  17. Protonic Conduction of BaCe0.85YO. 1503 Doped with SrTiO3

    NASA Technical Reports Server (NTRS)

    Dynys, Frederick W.; Sayir, Ali

    2005-01-01

    Reformers based on ceramic membrane technology potentially offer hydrogen production that is comparable to the cost of fossil fuels. Protonic conducting ceramic with the chemical formula AB03 offers the promise of highly selective hydrogen separation at intermediate temperature (400-800 C). Among different perovskite-type oxides, BaCe03 and SrCe03 based compositions show high protonic conductivities but strong resistance to densification. X-ray diffraction studies on sintered specimens of BaCe0.85Y0.1503-6 show multi-phase formation which was found to show dependence upon powder synthesis method. Doping with SrTiO3 suppresses multi-phase formation and enhances grain growth. Conductivity measurements in temperature range of 200 to 1000 C were performed by ac impedance spectroscopy under dry and wet conditions. Sintering behavior, phase formation and conductivity results will be reported.

  18. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials.

    PubMed

    Parker, David; Singh, David J

    2013-10-01

    We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli-roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  19. Migration behaviour of twaite shad Alosa fallax assessed by otolith Sr:Ca and Ba:Ca profiles.

    PubMed

    Magath, V; Marohn, L; Fietzke, J; Frische, M; Thiel, R; Dierking, J

    2013-06-01

    Individual migration behaviour during the juvenile and adult life phase of the anadromous twaite shad Alosa fallax in the Elbe estuary was examined using otolith Sr:Ca and Ba:Ca profiles. Between hatching and the end of the first year of life, juveniles showed two migration patterns. Pattern one exhibited a single downstream migration from fresh water to the sea with no return into fresh water. In contrast, pattern two showed a first migration into the sea, then a return into fresh water and, finally, a second downstream migration into marine water. This first report of migration plasticity for A. fallax points to different exposure times to estuarine threats depending on the migration strategy. In adults, high Sr:Ca and low Ba:Ca in the majority of individuals confirmed prior reports of a primarily marine habitat use. Patterns reflecting spawning migrations were rarely observed on otoliths, possibly due to the short duration of visits to fresh water.

  20. Pressure-induced superconductivity in Ba0.5Sr0.5Fe2As2.

    PubMed

    Tsoi, Georgiy M; Malone, Walter; Uhoya, Walter; Mitchell, Jonathan E; Vohra, Yogesh K; Wenger, Lowell E; Sefat, Athena S; Weir, S T

    2012-12-12

    High-pressure electrical resistance measurements have been performed on single crystal Ba(0.5)Sr(0.5)Fe(2)As(2) platelets to pressures of 16 GPa and temperatures down to 10 K using designer diamond anvils under quasi-hydrostatic conditions with an insulating steatite pressure medium. The resistance measurements show evidence of pressure-induced superconductivity with an onset transition temperature at ∼31 K and zero resistance at ∼22 K for a pressure of 3.3 GPa. The transition temperature decreases gradually with increasing pressure before completely disappearing for pressures above 12 GPa. The present results provide experimental evidence that a solid solution of two 122-type materials, i.e., Ba(1-x)Sr(x)Fe(2)As(2) (0 < x < 1), can also exhibit superconductivity under high pressure.

  1. Half metallic ferromagnetism in alkaline-earth metal nitrides XN (X=Ca, Sr and Ba): A first principles study

    NASA Astrophysics Data System (ADS)

    Palanichamy, R. Rajeswara; Priyanga, G. Sudha; Cinthia, A. Jemmy; Murugan, A.; Meenaatci, A. T. Asvini; Iyakutti, K.

    2013-11-01

    The structural, electronic, mechanical and magnetic properties of 3 alkaline-earth metal nitrides (XN: X=Ca, Sr, and Ba) are investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation code. At ambient pressure all the 3 nitrides are stable in the ferromagnetic state with a cubic NaCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that these materials are half metallic ferromagnets at normal pressure. A pressure-induced structural phase transition from NaCl (B1) to CsCl (B2) phase is observed in CaN, SrN and BaN. On further increasing the pressure, a half metallic to metallic transition is also observed in these nitrides. Ferromagnetism is quenched in all the 3 nitrides at high pressures.

  2. Protonic Conduction of BaCe0.85YO. 1503 Doped with SrTiO3

    NASA Technical Reports Server (NTRS)

    Dynys, Frederick W.; Sayir, Ali

    2005-01-01

    Reformers based on ceramic membrane technology potentially offer hydrogen production that is comparable to the cost of fossil fuels. Protonic conducting ceramic with the chemical formula AB03 offers the promise of highly selective hydrogen separation at intermediate temperature (400-800 C). Among different perovskite-type oxides, BaCe03 and SrCe03 based compositions show high protonic conductivities but strong resistance to densification. X-ray diffraction studies on sintered specimens of BaCe0.85Y0.1503-6 show multi-phase formation which was found to show dependence upon powder synthesis method. Doping with SrTiO3 suppresses multi-phase formation and enhances grain growth. Conductivity measurements in temperature range of 200 to 1000 C were performed by ac impedance spectroscopy under dry and wet conditions. Sintering behavior, phase formation and conductivity results will be reported.

  3. Structure and optical band gaps of (Ba,Sr)SnO{sub 3} films grown by molecular beam epitaxy

    SciTech Connect

    Schumann, Timo; Raghavan, Santosh; Ahadi, Kaveh; Kim, Honggyu; Stemmer, Susanne

    2016-09-15

    Epitaxial growth of (Ba{sub x}Sr{sub 1−x})SnO{sub 3} films with 0 ≤ x ≤ 1 using molecular beam epitaxy is reported. It is shown that SrSnO{sub 3} films can be grown coherently strained on closely lattice and symmetry matched PrScO{sub 3} substrates. The evolution of the optical band gap as a function of composition is determined by spectroscopic ellipsometry. The direct band gap monotonously decreases with x from to 4.46 eV (x = 0) to 3.36 eV (x = 1). A large Burnstein-Moss shift is observed with La-doping of BaSnO{sub 3} films. The shift corresponds approximately to the increase in Fermi level and is consistent with the low conduction band mass.

  4. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae=Ca,Sr,Ba, as thermoelectric materials

    SciTech Connect

    Parker, David S; Singh, David J

    2013-01-01

    We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2 Sn, Sr2 Sn and Ba2 Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli - roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  5. Memristive behaviors in Pt/BaTiO{sub 3}/Nb:SrTiO{sub 3} ferroelectric tunnel junctions

    SciTech Connect

    Wen, Zheng; Wu, Di Li, Aidong

    2014-08-04

    We demonstrate memristive behaviors in Pt/BaTiO{sub 3}/Nb:SrTiO{sub 3} metal/ferroelectric/semiconductor ferroelectric tunnel junctions, in which the semiconductor electrode can be switched between the accumulated and the depleted states by polarization reversal in the BaTiO{sub 3} barrier via the ferroelectric field effect. An extra barrier, against electron tunneling, forms in the depleted region of the Nb:SrTiO{sub 3} electrode surface, which together with the ferroelectric barrier itself modulate the tunneling resistance with the change of effective polarization. Continuous resistance modulation over four orders of magnitude is hence achieved by application of programmed voltage pulses with different polarity, amplitude, and repetition numbers, as a result of the development of the extra barrier.

  6. Variation of Ca, Sr, Ba and Mg in the otolith of mudskipper in west coast of Peninsular Malaysia.

    PubMed

    Sarimin, A S; Ghaffar, M A; Mohamed, C A R

    2009-02-01

    A study on elemental composition in the otolith of giant mudskipper, Periophthalmodon schlosseri, was done from June to October 2003. Specimens were obtained from the mangrove areas of Kuala Selangor, Sepang and Melaka in the west coast of Peninsular Malaysia. A total of 70 sagitta otoliths were analyzed to detect variation of Sr, Ba and Mg, replacing the natural chemical composition of the otolith, which is the calcium carbonate (CaCO3). The average ratio of Sr:Ca was 0.11 x 10(-4), Ba:Ca was 5.7 x 10(-3) and Mg:Ca was 0.2 x 10(-3). Strong correlation (R > 0.8) between fish body size and otolith weight ofmudskipper (p < 0.01) also found during this study.

  7. Water oxidation catalysis: an amorphous quaternary Ba-Sr-Co-Fe oxide as a promising electrocatalyst for the oxygen-evolution reaction.

    PubMed

    Zhang, Cuijuan; Berlinguette, Curtis P; Trudel, Simon

    2016-01-25

    We present an amorphous quaternary Ba-Sr-Co-Fe oxide (a-BSCF) with a specific stoichiometry, readily fabricated via a photochemical decomposition method. a-BSCF demonstrates high catalytic activity towards the oxygen-evolution reaction (OER).

  8. Solution processed Ni-doped TiO2 p-type channel in field effect transistor assembly with <10 nm thin Ba0.5Sr0.5TiO3 dielectric layer

    NASA Astrophysics Data System (ADS)

    Das, Soumen; Kim, Jin-Hwan; Park, Yong-Kyu; Hahn, Yoon-Bong

    2011-05-01

    Solution processed field effect transistor structures were fabricated by inserting a Ba0.5Sr0.5TiO3 layer to form Ag/ZnO/Ba0.5Sr0.5TiO3/Ni2+:TiO2/n-Si assembly. Such assembly registered an on-to-off current ratio as large as 103 with very low off-state current ˜10-12 A. The low leakage current is attributed to the appreciably higher values of valence/conduction band off-set of Ba0.5Sr0.5TiO3/semiconductor heterojunction. The device response was studied as a function of temperature in the range of 25-175 °C. The hole diffusion coefficient and mobility of p-TiO2 was calculated ˜10-3 cm2/s and ˜0.13-0.15 cm-2 V-1 s-1, respectively.

  9. An improved route to the synthesis of superconducting copper oxyfluorides Sr 2- xA xCuO 2F 2+δ (ACa, Ba) using transition metal difluorides as fluorinating reagents

    NASA Astrophysics Data System (ADS)

    Slater, P. R.; Hodges, J. P.; Francesconi, M. G.; Edwards, P. P.; Greaves, C.; Gameson, I.; Slaski, M.

    1995-02-01

    We report here a simple and efficient synthetic route to high temperature superconducting oxyfluorides. Solid phase fluorination of Sr 2- xA xCuO 3 (ACa, 0 ⩽ x ⩽ 2.0; ABa, 0 ⩽ x ⩽ 0.6) with the transition metal difluorides, CuF 2, ZnF 2, AgF 2, NiF 2, at relatively low temperatures (225-250°C) produces superconducting Sr 2- xA xCuO 2F 2+δ with a maximum Tc of 64 K (for ABa, x = 0.6). This simple preparation route eliminates the need for F 2 gas, and at the same time produces negligible (Sr/A)F 2 impurity, unlike the corresponding fluorination with NH 4F. Using this route the synthesis of the oxyfluoride, Ba 2CuO 2F 2+δ, is also reported for the first time. These studies and the examination of the fluorination of other cuprate systems have shown that this is a powerful and versatile fluorination route.

  10. Solid-Phase Equilibria for Metal-Silicon-Oxygen Ternary Systems I: Mg, Ca, Sr and Ba

    DTIC Science & Technology

    1990-07-01

    both Sr and Ba to their respective disilicides . An intermediate situation exists for the Ca oxides and silicates, in which excess Si can react with CaO...Si depends on their structural and electrical properties , and significant amounts of research would be required to grow such films and evaluate their... properties . The phase diagrams in Figs. 2-4 can also be used to estimate whether or not various forms of the new oxide superconductors are compatible

  11. Redetermination of the structure of ALa₂WO₇ (A=Ba, Sr) with fluorite-like metal ordering

    SciTech Connect

    Fu, W.T.; IJdo, D.J.W.; Bontenbal, A.

    2013-05-01

    The crystal structures of ALa₂WO₇ (A=Ba, and Sr) at room temperature were re-determined by the Rietveld method using the combined X-ray and neutron powder diffraction data. The compounds are confirmed to be isomorphic, crystallizing in the space group P112₁/b. In ALa₂WO₇ the ordering of metal atoms is fluorite-like, but it differs from that of the fluorite-defect compounds of the formula Ln₃MO₇ (Ln=lanthanide or Y, M=pentavalent metal). The structure of ALa₂WO₇ consists of isolated WO₆ octahedra, whereas in the normal Ln₃MO₇ the MO₆ octahedra share corners forming one-dimensional chains. Although ALa₂WO₇ has a centric space group, La ions are not situate at the centre of symmetry, which explains the ⁵D₀→⁷F₂ transition being dominant in emission spectrum of Eu-doped materials. - Graphical abstract: Schematic drawing of the crystal structures of ALa₂WO₇ (A=Ba, Sr) (left) and Ln₃MO₇ (right) showing the different arrangement of metal octahedra. Note that the example of Ln₃MO₇ is the structure of La₃TaO₇ with the space group Cmcm. Highlights: • The structural ambiguity of BaLa₂WO₇ has been resolved. • The details of the crystal structure of SrLa₂WO₇ are reported for the first time. • ALa₂WO₇ (A=Ba, Sr) closely resemble β-La₃RuO₇ and one of the La₃IrO₇ polymorph.

  12. CaF2, BaF2 and SrF2 crystals’ optical anisotropy parameters

    NASA Astrophysics Data System (ADS)

    Snetkov, I. L.; Yakovlev, A. I.; Palashov, O. V.

    2015-09-01

    Using the original method, based on measurements of thermally induced depolarization, the optical anisotropy parameters of CaF2, BaF2 and SrF2 cubic crystals were measured and compared with what is known from the literature. Euler angles of crystallographic axis orientation [C], in which the thermally induced depolarization is minimal, were determined using experimental results for studied fluorides.

  13. Study of non-stoichiometric BaSrTiFeO3 oxide dedicated to semiconductor gas sensors

    NASA Astrophysics Data System (ADS)

    Fasquelle, D.; Verbrugghe, N.; Deputier, S.

    2016-11-01

    Developing instrumentation systems compatible with the European RoHS directive (restriction of hazardous substances) to monitor our environment is of great interest for our society. Our research therefore aims at developing innovating integrated systems of detection dedicated to the characterization of various environmental exposures. These systems, which integrate new gas sensors containing lead-free oxides, are dedicated to the detection of flammable and toxic gases. We have firstly chosen to study semiconductor gas sensors implemented with lead-free oxides in view to develop RoHS devices. Therefore thick films deposited by spin-coating and screen-printing have been chosen for their robustness, ease to realize and ease to finally obtain cost-effective sensors. As crystalline defects and ionic vacancies are of great interest for gas detection, we have decided to study a non-stoichiometric composition of the BaSrTiFeO3 sensible oxide. Nonstoichiometric BaSrTiFeO3 lead-free oxide thick films were deposited by screen-printing on polycrystalline AFO3 substrates covered by a layer of Ag-Pd acting as bottom electrode. The physical characterizations have revealed a crystalline structure mainly composed of BaTiO3 pseudo-cubic phase and Ba4Ti12O27 monoclinic phase for the powder, and a porous microstructure for the thick films. When compared to a BSTF thick film with a stoichiometric composition, a notable increase in the BSTF dielectric constant value was observed when taking into account of a similar microstructure and grain size. The loss tangent mean value varies more softly for the non-stoichiometric BaSrTiFeO3 films than for the perovskite BSTF film as tanδ decreases from 0.45 to 0.04 when the frequency increases from 100 Hz to 1 MHz.

  14. Controlled orientation of molecular-beam-epitaxial BaTiO3 on Si(001) using thickness engineering of BaTiO3 and SrTiO3 buffer layers

    NASA Astrophysics Data System (ADS)

    Hsu, Min-Hsiang Mark; Van Thourhout, Dries; Pantouvaki, Marianna; Meersschaut, Johan; Conard, Thierry; Richard, Olivier; Bender, Hugo; Favia, Paola; Vila, Maria; Cid, Rosalia; Rubio-Zuazo, Juan; Castro, German R.; Van Campenhout, Joris; Absil, Philippe; Merckling, Clement

    2017-06-01

    Monolithically integrating BaTiO3 on silicon substrates has attracted attention because of the wide spectrum of potential novel applications ranging from electronics to photonics. For optimal device performance, it is important to control the BaTiO3 domain orientation during thin film preparation. Here, we use molecular beam epitaxy to prepare crystalline BaTiO3 on Si(001) substrates using a SrTiO3 buffer layer. A systematic investigation is performed to understand how to control the BaTiO3 domain orientation through the thickness engineering of the SrTiO3 buffer layer and the BaTiO3 layer itself. This provides different possibilities for obtaining a given BaTiO3 orientation as desired for a specific device application.

  15. Fine grained Ba(1-x)Sr(x)TiO3 ceramics by spark plasma sintering.

    PubMed

    Tian, Huyong; Chen, Wanpin; Buckley, C E; Chan, H L W

    2008-11-01

    Fine grained Ba(0.75)Sr(0.25)TiO3 (BST) ceramics were prepared via spark plasma sintering technique. BST nano-powders freshly prepared by a low-temperature direct solution synthesis technique were used as starting materials. X-ray diffraction measurements indicated that the ceramics had a pure perovskite phase and the observation under scanning electron microscope revealed that the ceramic had a grain size in the range of 50 to 300 nm. The dielectric properties of the fine-grained BST ceramics were determined at different temperatures and frequencies. At room temperature, the ceramics exhibited a moderate dielectric constant (3962 +/- 10), a good dielectric tunability (53.84% under a dc bias of 19.72 kV/cm). The highest tunability and figure of merit (FOM) values are 83.27% at 50.2 degrees C and 289.28 at 62.3 degrees C, respectively. These results suggested that the BST ceramics are suitable for use in tunable microwave devices.

  16. Crystal Structures of New Gallo-Borates MGa 2B 2O 7, M=Sr, Ba

    NASA Astrophysics Data System (ADS)

    Park, Hyunsoo; Barbier, Jacques

    2000-11-01

    Two new gallo-borates, MGa2B2O7 (M=Sr, Ba), have been synthesized and structurally characterized. The structure of SrGa2B2O7 (Cmcm, a=11.7260(7) Å, b=8.3745(4) Å, c=5.7062(3) Å, Z=4) has been determined by single-crystal X-ray diffraction (wR(F2)=0.089 for 732 unique reflections). BaGa2B2O7 (Cmcm, a=11.7434(6) Å, b=8.7076(4) Å, c=5.8038(3) Å, Z=4) has been shown to be isostructural by ab initio structure determination and Rietveld refinement using powder X-ray data (Rwp=0.119, χ2=2.16). The MGa2B2O7 structure, formulated as MGa2(B2O5)O2, consists of a framework of corner-sharing tetrahedral (GaO4) chains and pyroborate (B2O5) groups with the M atoms filling eight-coordinated framework cavities. It represents a new structure-type for anhydrous borates and, in particular, is structurally distinct from the MAl2B2O7 (M=Ca, Sr, Ba) alumino-borate analogs.

  17. Interfacial dislocations in (111) oriented (Ba0.7Sr0.3)TiO3 films on SrTiO3 single crystal

    DOE PAGES

    Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; ...

    2015-10-08

    In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO3 films grown on (111)-oriented SrTiO3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrievedmore » the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba0.7Sr0.3)TiO3 films.« less

  18. Electrical and optical properties of SrTiO3 nanopowders: Effect of different dopants Ba and Ag

    NASA Astrophysics Data System (ADS)

    Ghasemifard, Mahdi; Ghamari, Misagh; Iziy, Meysam

    2016-05-01

    Using strontium-titanium salts precursor, nanopowders (STO-based-NPs) were successfully synthesized by controlled gel-combustion method. Citric and nitric acids in an optimum ratio were used as the fuel and oxidizer agents, respectively. After heat treatment at 850∘C, the crystalline structure of the products was investigated by X-ray diffraction. The effects of Ba and Ag dopants on particle size distribution were discussed by transmission electron microscopy (TEM). The optical and dielectric parameters such as energy band gap (Eg), real and imaginary parts of refractive index, dielectric function and energy loss function of nanopowders have been investigated by UV-Vis and FTIR spectra. The band gap of SrTiO3 increased with increasing Ba, Ag and Ba-Ag. Different atomic radii of dopants are responsible for changing optical and dielectric parameters due to the altered orbital configuration of the lattice structure.

  19. A novel sol-gel route to synthesize (Sr0.5Ba0.5)Nb2O6 ceramics with enhanced electrocaloric effect

    NASA Astrophysics Data System (ADS)

    Chen, Ting; Wu, Shu Ya; Liu, Xiao Qiang; Chen, Xiang Ming

    (Sr0.5Ba0.5)Nb2O6 ultra-fine powders were synthesized by a novel sol-gel route, and the mechanism of the reaction was discussed. SrCO3, BaCO3, oxalate niobium and citric acid were used to initiate the sol-gel process, and ethylene glycol (EG) was added to further polymerize the cross-linking structure. The evolution of the (Sr0.5Ba0.5)Nb2O6 phase, the reaction process and the microstructures were investigated by X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectroscopy, DSC-TG and scanning electron microscopy. The synthesis temperature of the (Sr0.5Ba0.5)Nb2O6 powders reached as low as 1200∘C, and the size and morphology of the powders were controlled by temperature. By adjusting the calcination temperature, we obtained (Sr0.5Ba0.5)Nb2O6 powders with uniform sizes of 20nm to 500nm. Then, dense (Sr0.5Ba0.5)Nb2O6 ceramics were successfully prepared using these ultrafine powders. Finally, an enhanced electrocaloric effect (ECE) value of 0.35∘C was obtained at 100kV/cm.

  20. Synthesis of smooth and superconducting (Cu, C)-Ba-O/CaCuO2/(Cu, C)-Ba-O films using SrCuO2 buffer

    NASA Astrophysics Data System (ADS)

    Yamamoto, T.; Tanaka, K.; Yamanaka, A.; Okuda, T.; Obara, K.; Tokiwa, K.; Watanabe, T.; Iyo, A.; Tanaka, Y.; Sundaresan, A.; Terada, N.

    2010-12-01

    Artificially stacked structures of [(infinite layer CaCuO2)k/(superconducting (Cu, C)Ba2CuOx:(Cu, C)-1201)l]m were fabricated on SrCuO2 buffer layer by means of sequential deposition of each block using pulsed laser deposition. Smooth and epitaxial growth all over the deposition cycles of (Cu, C)-1201 and CaCuO2 were confirmed by streak patterns of in situ RHEED. In comparison with (Cu, C)-1201 single layer films, the artificial stacking resulted in a rise of superconducting properties, Tc-onset and Tc(ρ=0) up to 95 K and 65 K, respectively.

  1. Exciplexes with ionic dopants: stability, structure, and experimental relevance of M(+)((2)P)(4)He(n) (M = Sr, Ba).

    PubMed

    Mella, Massimo; Cargnoni, Fausto

    2014-08-21

    M(+)((2)P)(4)Hen species, possibly involved in the post (2)P ← (2)S excitation dynamics of Sr(+) and Ba(+) in cold (4)He gas or droplets, are studied employing both high level ab initio calculations to determine the potential energy curves (PEC) and diffusion Monte Carlo (DMC) to obtain information on their ground state structure and energetics. PEC for the excited M(+)((2)P)He dimers were obtained using MRCI calculations with extended basis sets. Potential energy surfaces (PES) for M(+)((2)P)Hen were built with the DIM model including spin-orbit coupling via a perturbative procedure. DMC simulations indicated several exciplexes (n > 2) to be stable against He dissociation whatever the ion state, a finding that is at variance with what was previously suggested for Ba(+)((2)P1/2) due to the repulsive nature of the interaction potential obtained in [ Phys. Rev. A 2004 , 69 , 042505 ]. Our results, instead, support the suggestion made in [J. Chem. Phys. 2012, 137, 051102] for the existence of Ba(+)((2)P1/2)Hen exciplexes emitted following the excitation of the barium cation solvated into He droplets. In the (2)P1/2 state, the Ba ion also shows a peculiar behavior as a function of n with respect to the location and binding strength of the attached He atoms compared to Sr(+). Although the latter forms the usual equatorial He ring, Ba(+) deviates from this geometry for 1 ≤ n ≤ 4, with the radial distribution functions strongly depending on the number of solvent atoms. Finally, a putative species is proposed to explain the emission band at 523 nm that follows D1 or D2 excitation of Ba(+) in superfluid bulk helium.

  2. Structural and magnetic properties of Ni-Zn doped BaM nanocomposite via citrate precursor

    SciTech Connect

    Rana, Kush; Thakur, Preeti; Thakur, Atul; Tomar, Monika; Gupta, Vinay

    2016-05-23

    Ni-Zn substituted M-type barium ferrite nanocomposite has been prepared via citrate precursor method. Nanocomposite having composition BaNi{sub 0.5}Zn{sub 0.5}Fe{sub 11}O{sub 19} was sintered at 900°C for 3hrs and characterized by using different characterization techniques. X-ray diffraction (XRD) confirmed the formation of double phase with most prominent peak at (114). Average crystallite size for pure BaM and BNZFO were found to be 36 nm & 45 nm. Field emission scanning electron microscopy (FESEM) confirmed the formation of hexagonal platelets with a layered structure. Magnetic properties of these samples were investigated by using vibrating sample magnetometer (VSM). Magnetic parameters like saturation magnetization (M{sub s}), coericivity (H{sub c}) and squareness ratio (SQR) of nanocomposite were found to be 60 emu/g, 3663 Oe and 0.6163 respectively. These values were noticed to be higher as compared to pure BaM. Enhanced magnetic properties of nanocomposite were strongly dependent on exchange coupling. Therefore these properties make this nanocomposite a suitable candidate for magnetic recording and high frequency applications.

  3. Comparative ab initio calculations of SrTiO3/BaTiO3 and SrZrO3/PbZrO3 (0 0 1) heterostructures

    NASA Astrophysics Data System (ADS)

    Piskunov, Sergei; Eglitis, Roberts I.

    2016-05-01

    Using a B3PW hybrid exchange-correlation functional within the density functional theory (DFT) we calculated from the first principles the electronic structure of BaTiO3/SrTiO3 and PbZrO3/SrZrO3 (0 0 1) interfaces. The optical band gap of both BaTiO3/SrTiO3 and PbZrO3/SrZrO3 (0 0 1) interfaces depends mostly from BaO or TiO2 and SrO or ZrO2 termination of the upper layer, respectively. Based on the results of our calculations we predict increase of the Ti-O and Zr-O chemical bond covalency near the SrTiO3/BaTiO3 and SrZrO3/PbZrO3 (0 0 1) interfaces as compared to the BaTiO3 and PbZrO3 bulk.

  4. Inclusion property of Cs, Sr, and Ba impurities in LiCl crystal formed by layer-melt crystallization

    SciTech Connect

    Choi, Jung-Hoon; Cho, Yung-Zun; Lee, Tae-Kyo; Eun, Hee-Chul; Kim, Jun-Hong; Park, Hwan-Seo; Kim, In-Tae; Park, Geun-Il

    2013-07-01

    Pyroprocessing is one of the promising technologies enabling the recycling of spent nuclear fuels from a commercial light water reactor (LWR). In general, pyroprocessing uses dry molten salts as electrolytes. In particular, LiCl waste salt after pyroprocessing contains highly radioactive I/II group fission products mainly composed of Cs, Sr, and Ba impurities. Therefore, it is beneficial to reuse LiCl salt in the pyroprocessing as an electrolyte for economic and environmental issues. Herein, to understand the inclusion property of impurities within LiCl crystal, the physical properties such as lattice parameter change, bulk modulus, and substitution enthalpy of a LiCl crystal having 0-6 at% Cs{sup +} or Ba{sup 2+} impurities under existence of 1 at% Sr{sup 2+} impurity were calculated via the first-principles density functional theory. The substitution enthalpy of LiCl crystals having 1 at% Sr{sup 2+} showed slightly decreased value than those without Sr{sup 2+} impurity. Therefore, through the substitution enthalpy calculation, it is expected that impurities will be incorporated within LiCl crystal as co-existed form rather than as a single component form. (authors)

  5. Epitaxial Stabilization of the Perovskite Phase in (Sr(1-x)Ba(x))MnO3 Thin Films.

    PubMed

    Langenberg, Eric; Guzmán, Roger; Maurel, Laura; Martínez de Baños, Lourdes; Morellón, Luis; Ibarra, M Ricardo; Herrero-Martín, Javier; Blasco, Javier; Magén, César; Algarabel, Pedro A; Pardo, José A

    2015-11-04

    A novel mechanism of ferroelectricity driven by off-centering magnetic Mn(4+) ions was proposed in (Sr1-xBax)MnO3, in its ideal perovskite phase, which yields enormous expectations in the search for strong magnetoelectric materials. Still, the desired perovskite phase has never been stabilized in thin films due to its extremely metastable character. Here, we report on a thorough study of the perovskite phase stabilization of (Sr1-xBax)MnO3 thin films, 0.2 ≤ x ≤ 0.5, grown by pulsed laser deposition onto (001)-oriented perovskite substrates. X-ray diffraction measurements and scanning transmission electron microscopy reveal that, under appropriate deposition conditions, the perovskite phase is fully stabilized over the nonferroelectric hexagonal phase, despite the latter being increasingly favored on increasing Ba-content. Moreover, we have managed to grow epitaxial coherent cube-on-cube (Sr1-xBax)MnO3 films upon strains ranging from 0% to 4%. Our results become a milestone in further studying perovskite (Sr1-xBax)MnO3 thin films and pave the way for tailoring ferroic and magnetoelectric properties either by strain engineering or Ba-doping.

  6. Is otolith microchemistry (Sr: Ca and Ba:Ca ratios) useful to identify Mugil curema populations in the southeastern Caribbean Sea?

    PubMed

    Avigliano, E; Callicó-Fortunato, R; Buitrago, J; Volpedo, A V

    2015-11-01

    The aim of the present study was to evaluate the potential use of otolith microchemistry (Sr:Ca and Ba:Ca ratios) to identify silver mullet, Mugil curema, populations in Southeastern Caribbean Sea. Fish samples were collected in 7 areas of Nueva Esparta State (Venezuela). The otolith Sr:Ca and Ba:Ca ratios and water Sr:Ca were determined (by ICP-OES and EDTA volumetric method). Otoliths Sr:Ca and Ba:Ca ratios and Sr:Ca partition coefficient of mullets in Cubagua island (south of the State) were significantly different from ratios in La Guardia (north of the State). A discriminant analysis of otolith Sr:Ca and Ba:Ca ratios separated Cubagua Island from La Guardia values. These results suggest the existence of different mullet groups in the Southeastern Caribbean Sea. For this, the simultaneous use of Sr:Ca and Ba:Ca ratios could be a potential tool to identify populations in the study area.

  7. SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} - two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    SciTech Connect

    Stegmaier, Saskia; Faessler, Thomas F.

    2012-08-15

    SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn{sub 2}Sn{sub 2} comprises (anti-)PbO-like {l_brace}ZnSn{sub 4/4}{r_brace} and {l_brace}SnZn{sub 4/4}{r_brace} layers. Ca{sub 2}Zn{sub 3}Sn{sub 6} shows similar {l_brace}ZnSn{sub 4/4}{r_brace} layers and {l_brace}Sn{sub 4}Zn{r_brace} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn{sub 2}Sn{sub 2} adopts the SrPd{sub 2}Bi{sub 2} structure type, and Ca{sub 2}Zn{sub 3}Sn{sub 6} is isotypic to the R{sub 2}Zn{sub 3}Ge{sub 6} compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {l_brace}Sn{sub 4}Zn{r_brace} layers of Ca{sub 2}Zn{sub 3}Sn{sub 6}. - Graphical abstract: Crystal structures of the new Ae-Zn-Sn polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Highlights: Black-Right-Pointing-Pointer New polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Black-Right-Pointing-Pointer Obtained by high temperature reactions of the elements. Black-Right-Pointing-Pointer Single crystal XRD structure determination and DFT electronic structure calculations. Black-Right-Pointing-Pointer Closely related crystal and electronic structures. Black-Right-Pointing-Pointer Metallic conductivity coexisting with lone pairs and covalent bonding

  8. Ternary fluorides BaMF4 (M = Zn, Mg and Mn) at low temperatures.

    PubMed

    Posse, Jose Maria; Grzechnik, Andrzej; Friese, Karen

    2009-10-01

    Ternary fluorides BaMF4 (M = Zn, Mg, Mn) have been studied in the temperature range from 300 to 10 K using synchrotron and laboratory powder and single-crystal diffraction. The first two compounds are stable down to 10 K, while the third one undergoes a phase transition to an incommensurately modulated structure at approximately 250 K. The modulated phase is stable down to 10 K. The magnetic anomalies at 45 and 27 K observed previously in BaMnF4 are exclusively reflected in the behavior of the gamma component of the q vector, which assumes an irrational value of approximately 0.395 A(-1) at the temperature corresponding to the onset of the magnetic ordering and then stays constant down to 10 K. Mn-Mn distances do not indicate any structural response to the magnetic ordering. The formation of the modulated phase can be explained on the basis of simple geometrical criteria. The incorporation of the large Mn cation in the octahedral sheets implies an increase of the cavity in which the Ba ion is incorporated. This leads to the formation of the modulated structure to adapt the coordination sphere around Ba in such a way that the bond-valence sums can be kept close to the ideal value of two. With further lowering of the temperature, the charge balance around the Ba ion requires an increasingly anharmonic character of the modulation function of Ba, until finally at 10 K a crenel-like shape is assumed for the modulation of this atom.

  9. Trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics.

    PubMed

    Hong, Feng; Lin, Wenjun; Meng, Weiwei; Yan, Yanfa

    2016-02-14

    We propose trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant solar cell applications. Through density functional theory calculations, we show that these compounds exhibit similar electronic and optical properties to kesterite Cu2ZnSnS4 (CZTS): high optical absorption with band gaps suitable for efficient single-junction solar cell applications. However, the trigonal Cu2-II-Sn-VI4 compounds exhibit defect properties more suitable for photovoltaic applications than those of CZTS. In CZTS, the dominant defects are the deep acceptors, Cu substitutions on Zn sites, which cause non-radiative recombination and limit the open-circuit voltages of CZTS solar cells. On the contrary, the dominant defects in trigonal Cu2-II-Sn-VI4 are the shallow acceptors, Cu vacancies, similar to those in CuInSe2. Our results suggest that the trigonal Cu2-II-Sn-VI4 quaternary compounds could be promising candidates for efficient earth-abundant thin-film solar cell and photoeletrochemical water-splitting applications.

  10. New Family of Materials with Negative Coefficients of Thermal Expansion: The Effect of MgO, CoO, MnO, NiO, or CuO on the Phase Stability and Thermal Expansion of Solid Solution Phases Derived from BaZn2Si2O7.

    PubMed

    Thieme, Christian; Waurischk, Tina; Heitmann, Stephan; Rüssel, Christian

    2016-05-02

    Recently, a silicate with the composition SrxBa1-xZn2Si2O7 was reported, which exhibits a negative coefficient of thermal expansion. The compound BaZn2Si2O7 shows a highly positive coefficient of thermal expansion up to a temperature of 280 °C and then transfers to a high temperature phase, which exhibits a coefficient of thermal expansion near zero or negative over a limited temperature range up to around 500 °C. This high temperature modification can be stabilized to room temperature if Ba(2+) is replaced by Sr(2+). In the solid solution SrxBa1-xZn2Si2O7, also Zn(2+) can be replaced in a wide concentration range by other cations with the respective valency. In the present study, Zn was partially or completely replaced by Mg, Co, Mn, Ni, or Cu. If the high temperature phase is stable at room temperature, the thermal expansion is negative, and if the partial substitution exceeds a certain concentration threshold, the low temperature phase with the crystal structure of BaZn2Si2O7 and highly positive thermal expansion is formed. The lowest mean coefficients of thermal expansion were measured for the composition Ba0.5Sr0.5Zn1.4Co0.6Si2O7 with a value of -2.9 × 10(-6) K(-1). In general, a lower Zn-concentration leads to a higher anisotropy and a lower mean coefficient of thermal expansion.

  11. Bioaccessibility of Ba, Cu, Pb, and Zn in urban garden and orchard soils.

    PubMed

    Cai, Meifang; McBride, Murray B; Li, Kaiming

    2016-01-01

    Exposure of young children to toxic metals in urban environments is largely due to soil and dust ingestion. Soil particle size distribution and concentrations of toxic metals in different particle sizes are important risk factors in addition to bioaccessibility of these metals in the particles. Analysis of particle size distribution and metals concentrations for 13 soils, 12 sampled from urban gardens and 1 from orchard found that fine particles (<105 μm) comprised from 22 to 66% by weight of the tested soils, with Ba, Cu, Pb and Zn generally at higher concentrations in the finer particles. However, metal bioaccessibility was generally lower in finer particles, a trend most pronounced for Ba and Pb. Gastric was higher than gastrointestinal bioaccessibility for all metals except Cu. The lower bioaccessibility of Pb in urban garden soils compared to orchard soil is attributable to the higher organic matter content of the garden soils.

  12. Down-shifting spectroscopic properties of Yb3+ doped BaGd2ZnO5 phosphors

    NASA Astrophysics Data System (ADS)

    Yang, Yanmin; Liu, Linlin; Li, Mingming; Mi, Chao; Liu, Yanzhou; Guo, Qinglin; Zhang, Yi; Fu, Xihong; Cai, Shuzhen; Mai, Yaohua

    2015-04-01

    Yb3+ doped BaGd2ZnO5 phosphor was synthesized via sol-gel method. X-ray diffraction, scanning electron microscopy and photoluminescence spectra were employed to characterize the as-obtained products. Upon 274 nm excitation, a single strong narrow-band emission from 2F5/2 → 2F7/2 of Yb3+ ion around 977 nm was obtained in Yb3+ doped BaGd2ZnO5 phosphor, which was well suited to efficient absorption in a silicon solar cell. After adding Ce3+ into Yb3+-doped BaGd2ZnO5, the excitation spectra of samples monitored at 977 nm indicated that the excitation peaks were in the broad range from 230 nm to 400 nm, which covered ultraviolet and blue light with poor solar cell spectral response. Furthermore, Er3+ was introduced into Yb3+-doped BaGd2ZnO5 phosphor to prove the high energy transfer efficiency from Gd3+ ion to Yb3+ ion by comparing it with that of Er3+ ion to Yb3+ ion. With access to broad-band absorption, narrow-band emission as well as high energy transfer efficiency, Ce3+, Yb3+-codoped BaGd2ZnO5 may have potential applications in modifying the solar spectrum to enhance the efficiency of silicon solar cells.

  13. Prediction of Ba, Mn and Zn for tropical soils using iron oxides and magnetic susceptibility

    NASA Astrophysics Data System (ADS)

    Marques Júnior, José; Arantes Camargo, Livia; Reynaldo Ferracciú Alleoni, Luís; Tadeu Pereira, Gener; De Bortoli Teixeira, Daniel; Santos Rabelo de Souza Bahia, Angelica

    2017-04-01

    Agricultural activity is an important source of potentially toxic elements (PTEs) in soil worldwide but particularly in heavily farmed areas. Spatial distribution characterization of PTE contents in farming areas is crucial to assess further environmental impacts caused by soil contamination. Designing prediction models become quite useful to characterize the spatial variability of continuous variables, as it allows prediction of soil attributes that might be difficult to attain in a large number of samples through conventional methods. This study aimed to evaluate, in three geomorphic surfaces of Oxisols, the capacity for predicting PTEs (Ba, Mn, Zn) and their spatial variability using iron oxides and magnetic susceptibility (MS). Soil samples were collected from three geomorphic surfaces and analyzed for chemical, physical, mineralogical properties, as well as magnetic susceptibility (MS). PTE prediction models were calibrated by multiple linear regression (MLR). MLR calibration accuracy was evaluated using the coefficient of determination (R2). PTE spatial distribution maps were built using the values calculated by the calibrated models that reached the best accuracy by means of geostatistics. The high correlations between the attributes clay, MS, hematite (Hm), iron oxides extracted by sodium dithionite-citrate-bicarbonate (Fed), and iron oxides extracted using acid ammonium oxalate (Feo) with the elements Ba, Mn, and Zn enabled them to be selected as predictors for PTEs. Stepwise multiple linear regression showed that MS and Fed were the best PTE predictors individually, as they promoted no significant increase in R2 when two or more attributes were considered together. The MS-calibrated models for Ba, Mn, and Zn prediction exhibited R2 values of 0.88, 0.66, and 0.55, respectively. These are promising results since MS is a fast, cheap, and non-destructive tool, allowing the prediction of a large number of samples, which in turn enables detailed mapping of

  14. Unexpected ordering at the atomic scale interface of SrRuO3 and BaTiO3

    NASA Astrophysics Data System (ADS)

    Baddorf, Arthur P.

    2011-03-01

    Atomically engineered oxide multilayers and superlattices display unique properties responsive to the electronic and atomic structures of the interfaces. Interfaces can exhibit not only two-dimensional functionality, but have the power to dictate the properties of thin films. A clear example is found in ferroelectric thin films, where the domain size, orientation, and transport properties are controlled by top and buried interfaces. We have explored a prototypical ferroelectric - bottom electrode interface by characterizing BaTi O3 grown on SrRu O3 . Films were grown on SrTi O3 substrates by pulsed laser deposition, monitored by high-pressure reflection high-energy diffraction, exhibited high crystalline quality in electron diffraction and cross-sectional transmission electron microscopy (STEM), and were flat according to atomic force microscopy. Despite multiple indicators commonly accepted to confirm a sharp interface, atomically the structure is more complex. When grown in a typical oxygen pressure, at or below 10 mTorr, in situ scanning tunneling microscopy (STM) revealed the SrRu O3 surface is littered with oxygen vacancies. For growth or post-annealing above ~ 100 mtorr, vacancies were removed, but STM and low energy electron diffraction (LEED) disclosed a surface reconstruction consisting of parallel rows with periodicity doubled in one direction. Density function theory (DFT) suggests these rows are chains of Sr and O raised by excess oxygen. Both LEED and cross-sectional STEM revealed that this reconstruction persists at the buried interface and modifies the structure of subsequent BaTi O3 layers. By four layers, the BaTi O3 surface returns to a bulk-like structure with upward polar distortion. This study emphasizes the importance of atomic scale structural studies of what may otherwise appear as sharp interfaces. Research at ORNL's CNMS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE.

  15. Optical properties of A Fe2As2 (A =Ca , Sr, and Ba) single crystals

    NASA Astrophysics Data System (ADS)

    Dai, Y. M.; Akrap, Ana; Bud'ko, S. L.; Canfield, P. C.; Homes, C. C.

    2016-11-01

    The detailed optical properties have been determined for the iron-based materials A Fe2As2 , where A =Ca , Sr, and Ba, for light polarized in the iron-arsenic (a-b) planes over a wide frequency range, above and below the magnetic and structural transitions at TN=138 , 195, and 172 K, respectively. The real and imaginary parts of the complex conductivity are fit simultaneously using two Drude terms in combination with a series of oscillators. Above TN, the free-carrier response consists of a weak, narrow Drude term, and a strong, broad Drude term, both of which show only a weak temperature dependence. Below TN there is a slight decrease of the plasma frequency but a dramatic drop in the scattering rate for the narrow Drude term, and for the broad Drude term there is a significant decrease in the plasma frequency, while the decrease in the scattering rate, albeit significant, is not as severe. The small values observed for the scattering rates for the narrow Drude term for T ≪TN may be related to the Dirac conelike dispersion of the electronic bands. Below TN new features emerge in the optical conductivity that are associated with the reconstruction Fermi surface and the gapping of bands at Δ1≃45 -80 meV, and Δ2≃110 -210 meV. The reduction in the spectral weight associated with the free carriers is captured by the gap structure; specifically, the spectral weight from the narrow Drude term appears to be transferred into the low-energy gap feature, while the missing weight from the broad term shifts to the high-energy gap.

  16. Optical properties of AFe2As2 ( A=Ca , Sr, and Ba) single crystals

    DOE PAGES

    Dai, Y. M.; Akrap, Ana; Bud'ko, S. L.; ...

    2016-11-23

    The detailed optical properties have been determined for the iron-based materials A Fe2 As2 , where A = Ca , Sr, and Ba, for light polarized in the iron-arsenic (a-b) planes over a wide frequency range, above and below the magnetic and structural transitions at TN = 138 , 195, and 172 K, respectively. The real and imaginary parts of the complex conductivity are fit simultaneously using two Drude terms in combination with a series of oscillators. Above TN, the free-carrier response consists of a weak, narrow Drude term, and a strong, broad Drude term, both of which show only a weak temperature dependence. Below TN there is a slight decrease of the plasma frequency but a dramatic drop in the scattering rate for the narrow Drude term, and for the broad Drude term there is a significant decrease in the plasma frequency, while the decrease in the scattering rate, albeit significant, is not as severe. The small values observed for the scattering rates for the narrow Drude term for Tmore » $$\\ll$$ TN may be related to the Dirac conelike dispersion of the electronic bands. Below TN new features emerge in the optical conductivity that are associated with the reconstruction Fermi surface and the gapping of bands at Δ1 ≃ 45 – 80 meV, and Δ2 ≃ 110 – 210 meV. In conclusion, the reduction in the spectral weight associated with the free carriers is captured by the gap structure; specifically, the spectral weight from the narrow Drude term appears to be transferred into the low-energy gap feature, while the missing weight from the broad term shifts to the high-energy gap.« less

  17. Spin fluctuations in Sr1.6Ba0.4RuO4 : An inelastic neutron scattering study with polarization analysis

    NASA Astrophysics Data System (ADS)

    Li, Z. W.; Guo, H.; Liu, C.-F.; Bourdarot, F.; Schmidt, W.; Skoulatos, M.; Komarek, A. C.

    2017-01-01

    We present inelastic neutron scattering measurements on the ruthenate Sr1.6Ba0.4RuO4 which is on the hitherto almost unknown Ba-substituted side of the doping phase diagram of Sr2 -xAexRuO4 (Ae = Ca, Ba). Unlike the Ca-substituted side of the phase diagram no (quasi)static magnetic peaks can be observed in Sr1.6Ba0.4RuO4 . Instead, incommensurate spin fluctuations can be observed around q0=(±0.3 ,±0.3 ,0 ) . Both the absolute intensity of χ''(Q ,ω ) and its energy and temperature dependence as well as the anisotropy ratio χc''/χa,b '' resemble the ones in Sr2RuO4 . Hence, a random potential implied by the substitution of huge Ba ions as well as the induced increase of interatomic distances has less impact on the magnetic properties than octahedral tilts implied by Ca substitution. Moreover, any ferromagnetic spin fluctuations are either absent in Sr1.6Ba0.4RuO4 or below the detection limit.

  18. Photoconductivity of transparent perovskite semiconductor BaSnO{sub 3} and SrTiO{sub 3} epitaxial thin films

    SciTech Connect

    Park, Jisung; Kim, Useong; Char, Kookrin

    2016-02-29

    We measured the photoconductivity of transparent semiconductor BaSnO{sub 3} and compared it with that of SrTiO{sub 3}. Epitaxial BaSnO{sub 3} and SrTiO{sub 3} films were grown on MgO substrates to exclude any contribution to photoconductivity from the substrate due to its large bandgap. In spite of the same perovskite structure and similar bandgap sizes (3.1–3.2 eV), the photoconductive behaviors of the two materials are quite different in terms of their magnitude and time dependence. The photoconductivity of BaSnO{sub 3} persists for many hours after removal from light exposure, whereas the photoconductivity of SrTiO{sub 3} shows little persistent conductivity. In addition, the photoconductivity of BaSnO{sub 3} increases to a value over 25 times higher than that of SrTiO{sub 3}, after 3 h of illuminations. The spectral photoconductive responses of both BaSnO{sub 3} and SrTiO{sub 3} show their highest peaks below 400 nm, suggesting that the electron-hole pair generation is the main mechanism of the photoconductivity for the both materials. The large persistent photoconductivity of BaSnO{sub 3} seems related with deep level defects with relatively large barriers for charge trapping and detrapping.

  19. Long-range magnetic interaction and frustration in double perovskites Sr2NiIrO6 and Sr2ZnIrO6

    PubMed Central

    Ou, Xuedong; Li, Zhengwei; Fan, Fengren; Wang, Hongbo; Wu, Hua

    2014-01-01

    One often counts the nearest neighbouring (NN) exchange interactions for understanding of a magnetic insulator. Here we present first-principles calculations for the newly synthesized double perovskites Sr2NiIrO6 and Sr2ZnIrO6, and we find that the 2NN Ir-Ir antiferromagnetic coupling is even stronger than the 1NN Ni-Ir ferromagnetic one. Thus, the leading antiferromagnetic interactions in the fcc Ir sublattice give rise to a magnetic frustration. Sr2NiIrO6 and Sr2ZnIrO6 hence appear very similarly as a distorted low-temperature antiferromagnet (probably, of type III). This work highlights the long-range magnetic interactions of the delocalized 5d electrons, and it also addresses why the spin-orbit coupling is ineffective here. PMID:25519762

  20. Preparation of thermal infrared and microwave absorber using SrTiO3/BaFe12O19/polyaniline nanocomposites

    NASA Astrophysics Data System (ADS)

    Hosseini, Seyed Hossein; Zamani, Parisa

    2016-01-01

    In this research, first, SrTiO3 was synthesized as thermal infrared (TIR) absorbent and core and then BaFe12O19 as microwave absorbent was prepared on SrTiO3 via co-precipitation method as first shell. Second, polyaniline (PANI) was coated on SrTiO3/BaFe12O19 NPs (NPs) via in situ polymerization by multi core-shell structures (SrTiO3/BaFe12O19/PANI). Nanometer size and structures of samples were measured by TEM, XRD and FTIR. Morphology of nanocomposite was showed by SEM images. The magnetic and electric properties were also performed by VSM and four probe methods. The TIR absorption and microwave reflection loss of nanocomposites were investigated at 10-40 μm and 8-12 GHz, TIR and microwave frequencies, respectively. The results showed that the SrTiO3/BaFe12O19/PANI nanocomposites have good compatible electric and magnetic properties and hence the microwave absorbency show wide bandwidth properties. The infrared thermal image testing showed that the ability of infrared thermal imaging was increased by increasing SrTiO3/BaFe12O19 as core and independent to increasing PANI as final shell.

  1. Ecotoxicological risks of the abandoned F-Ba-Pb-Zn mining area of Osor (Spain).

    PubMed

    Bori, Jaume; Vallès, Bettina; Navarro, Andrés; Riva, Maria Carme

    2017-06-01

    Due to its potential toxic properties, metal mobilization is of major concern in areas surrounding Pb-Zn mines. In the present study, metal contents and toxicity of soils, aqueous extracts from soils and mine drainage waters from an abandoned F-Ba-Pb-Zn mining area in Osor (Girona, NE Spain) were evaluated through chemical extractions and ecotoxicity bioassays. Toxicity assessment in the terrestrial compartment included lethal and sublethal endpoints on earthworms Eisenia fetida, arthropods Folsomia candida and several plant species, whereas aquatic tests involved bacteria Vibrio fischeri, microalgae Raphidocelis subcapitata and crustaceans Daphnia magna. Total concentrations of Ba (250-5110 mg kg(-1)), Pb (940 to >5000 mg kg(-1)) and Zn (2370-11,300 mg kg(-1)) in soils exceeded intervention values to protect human health. Risks for the aquatic compartment were identified in the release of drainage waters and in the potential leaching and runoff of metals from contaminated soils, with Cd (1.98-9.15 µg L(-1)), Pb (2.11-326 µg L(-1)) and Zn (280-2900 µg L(-1)) concentrations in filtered water samples surpassing US EPA Water Quality Criteria (2016a, b). Terrestrial ecotoxicity tests were in accordance with metal quantifications and identified the most polluted soil as the most toxic. Avoidance and reproduction tests with earthworms showed the highest sensitivity to metal contamination. Aquatic bioassays performed in aqueous extracts from soils confirmed the results from terrestrial tests and also detected toxic effects caused by the mine drainage waters. Algal growth inhibition was the most sensitive aquatic endpoint. In view of the results, the application of a containment or remediative procedure in the area is encouraged.

  2. First-principles study of structural, electronic and magnetic properties of AeX (Ae=Be, Mg, Sr, Ba; X=Si, Ge and Sn) compounds

    NASA Astrophysics Data System (ADS)

    Jaiganesh, G.; Kalpana, G.

    2013-01-01

    The first-principles study of the electronic structure and ferromagnetism of AeX (Ae=Be, Mg, Sr and Ba; X=Si, Ge and Sn) compounds have been performed in the ground-state CrB-type and hypothetical NaCl- and zinc blende-type structures by spin-polarization and non-spin-polarization calculations. The TBLMTO-ASA program was used for the purpose. In the CrB-type structure, all these compounds exhibit non-magnetic and metallic behavior. The calculations show that in the NaCl- and ZB-type structures BeSi, BeGe, BeSn, MgSi, MgGe and MgSn compounds are non-magnets whereas SrSi, SrGe, SrSn, BaSi, BaGe and BaSn compounds are ferromagnetic and metallic. Apart from this the ZB-type SrSi, SrGe, BaSi and BaGe compounds exhibit half-metallicity at their equilibrium volume with a magnetic moment of 2.0 μB per formula unit. However, ZB-type SrSn and BaSn compounds are found to exhibit half-metallic property under expansion of volume. The magnetism arises mainly from the anion p-like states and partial involvement of cation d-like states. The ground state properties like equilibrium lattice parameters, bulk modulus, cohesive energy, magnetic moment, spin-flip-gap and majority spin band gap are calculated and compared with available results. The band structure and density of states are also presented. These materials will be useful for the study of p-electron magnetism and in spintronic devices.

  3. Effect of Heat Treatment on The Crystal Structur, Electrical Conductivity and Surface of Ba1.5Sr0.5Fe2O5 Composite

    NASA Astrophysics Data System (ADS)

    Purwanto, P.; Adi, WA; Yunasfi

    2017-05-01

    The Composite of Ba1,5Sr0,5Fe2O5 has been synthesized by using powder metallurgy technique. The Ba1.5Sr0.5Fe2O5 were prepared from BaCO3, SrCO3 and Fe2O3 raw materials with a specific weight ratio. The three materials were synthesized by powder metallurgy under heat treatment at 800 °C, 900 °C, and 1000 °C for 5 hours. All the three samples were characterized by using X-ray Diffraction (XRD) to determine the crystal structure and crystal size, LCR meter to determine the conductivity, and Scanning Electron Microscope (SEM) to observe the morphological of the composites. The phase analysis result showed that the composite consists of several minor phases such as BaO2, SrO2, and Fe2O3. The Crystal size of composite Ba1.5Sr0.5Fe2O5 decreased while increases the strain of crystal with increasing of sintering temperature. The crystal size of the Ba1.5Sr0.5Fe2O5 composite is 3.55 nm to 7.23 nm and value of strain is 8.47% until 3.90%. Based on the conductivity measurement, it was obtained that the conductivity of the Ba1.5Sr0.5Fe2O5 composite decreased with increasing sintering temperature. It was also noticed that the conductivity increased with increasing of frequency. The conductivity ranged from 6.619×10-7 S/cm to 65.659×10-7 S/cm. The energy dispersive spectroscopy (EDS) analysis showed that several dominant elements were a good agreement with the phase analysis.

  4. Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)

    SciTech Connect

    Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen

    2015-09-24

    New ternary arsenides AE3TrAs3 (AE = Sr, Ba; Tr = Al, Ga) and their phosphide analogs Sr3GaP3 and Ba3AlP3 have been prepared by reactions of the respective elements at high temperatures. Single-crystal X-ray diffraction studies reveal that Sr3AlAs3 and Ba3AlAs3 adopt the Ba3AlSb3-type structure (Pearson symbol oC56, space group Cmce, Z = 8). This structure is also realized for Sr3GaP3 and Ba3AlP3. Likewise, the compounds Sr3GaAs3 and Ba3GaAs3 crystallize with the Ba3GaSb3-type structure (Pearson symbol oP56, space group Pnma, Z = 8). Both structures are made up of isolated pairs of edge-shared AlPn4 and GaPn4 tetrahedra (Pn = pnictogen, i.e., P or As), separated by the alkaline-earth Sr2+ and Ba2+ cations. In both cases, there are no homoatomic bonds, hence, regardless of the slightly different atomic arrangements, both structures can be rationalized as valence-precise [AE2+]3[Tr3+][Pn3-]3, or rather [AE2+]6[Tr2Pn6]12-, i.e., as Zintl phases.

  5. K, Rb, Sr, Ba, U and Th geochemistry of the Lapland Granulites (Fennoscandia). LILE fractionation controlling factors

    NASA Astrophysics Data System (ADS)

    Barbey, P.; Cuney, M.

    1982-12-01

    The LILE geochemical patterns of the three main lithological units (graywacke-shale metasedimentary sequence, tholeiitic metaigneous rocks and migmatitic rocks) of the Lapland Granulite belt are described. K, Ba, Sr and Th concentrations in metasediments are nearly similar to average continental crust, whereas Rb and U are unevenly impoverished. In particular graphitic metashales and calcsilicate rocks are not significantly depleted in uranium. Tholeiitic metaigneous rocks comprises metavolcanics which present K/Rb ratios similar to metasediments, and metaplutonics with LILE abundances close to those of the low-K-tholeiites. Migmatites show wide range in LILE content. Metatexites and diatexites have higher K, Rb, Th and U concentrations and similar K/Rb ratios with respect to equivalent unmobilized rocks. Potassic pegmatoïds are strongly enriched K, Rb, Ba and Th but moderately in Sr and U. Plagioclasic pegmatoids and ferromagnesian restites are rich in Sr and poor in other LIL elements. A comparative review of the LILE geochemistry between Lapland granulites and equivalent lithological units taken from non metamorphosed to high grade terrains suggest that fractionation processes are not systematic but controlled by original lithology and mineralogy, mineral — fluid equilibria during progressive (or retrogressive) metamorphism and mineral-melt-fluid equilibria during anatexis. Moreover, statistical analysis on K-Rb distribution patterns in these various rock types shows that there is no metamorphic trend characteristic of granulite facies terrains as previously suggested.

  6. Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae=Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8

    SciTech Connect

    Samal, Saroj L.; Gulo, Fakhili; Corbett, John D.

    2013-02-18

    Three new ternary polar intermetallic compounds, cubic Ca6Pt8Cd16, and tetragonal (Sr, Ba)Pt2Cd4 have been discovered during explorations of the Ae–Pt–Cd systems. Cubic Ca6Pt8Cd16 (Fm-3m, Z = 4, a = 13.513(1) Å) contains a 3D array of separate Cd8 tetrahedral stars (TS) that are both face capped along the axes and diagonally bridged by Pt atoms to generate the 3D anionic network Cd8[Pt(1)]6/2[Pt(2)]4/8. The complementary cationic surface of the cell consists of a face-centered cube of Pt(3)@Ca6 octahedra. This structure is an ordered ternary variant of Sc11Ir4 (Sc6Ir8Sc16), a stuffed version of the close relative Na6Au7Cd16, and a network inverse of the recent Er6Sb8Pd16 (compare Ca6Pt8Cd16). The three groups of elements each occur in only one structural version. The new AePt2Cd4, Ae = Sr, Ba, are tetragonal (P42/mnm,Z = 2, a ≈ 8.30 Å, c ≈ 4.47 Å) and contain chains of edge-sharing Cd4 tetrahedra along c that are bridged by four-bonded Ba/Sr. LMTO-ASA and ICOHP calculation results and comparisons show that the major bonding (Hamilton) populations in Ca6Pt8Cd16 and Er6Sb8Pd16 come from polar Pt–Cd and Pd–Sb interactions, that Pt exhibits larger relativistic contributions than Pd, that characteristic size and orbital differences are most evident for Sb 5s, Pt8, and Pd16, and that some terms remain incomparable, Ca–Cd versus Er–Pd.

  7. Structural and magnetic study of the cation-ordered perovskites Ba{sub 2-} {sub x} Sr {sub x} ErMoO{sub 6}

    SciTech Connect

    Cussen, Edmund J.

    2007-02-15

    A series of perovskite phases have been prepared from the appropriate carbonates and oxides by heating under reducing conditions at temperatures up to 1300 deg. C. Complete ordering between ErO{sub 6} and MoO{sub 6} octahedra and a disordered distribution of Sr{sup 2+} and Ba{sup 2+} occur in all compounds. Neutron powder diffraction experiments show that the substitution of Sr{sup 2+} into Ba{sub 2}ErMoO{sub 6} introduces a progressive reduction in symmetry from Fm3-barm (x=0) to I4/m (x=0.5, 0.8) to P2{sub 1}/n (x=1.25, 1.75, 2.0). Magnetic susceptibility measurements indicate that all of these compounds show Curie-Weiss paramagnetism and that for x<1.25 this behaviour persists down to 2 K. The monoclinically distorted compounds show magnetic transitions at low temperature and neutron diffraction has confirmed the presence of long-range antiferromagnetic order below 2.5 and 4 K in Ba{sub 0.25}Sr{sub 1.75}ErMoO{sub 6} and Sr{sub 2}ErMoO{sub 6}, respectively. Ba{sub 0.75}Sr{sub 1.25}ErMoO{sub 6}, Ba{sub 0.25}Sr{sub 1.75}ErMoO{sub 6} and Sr{sub 2}ErMoO{sub 6} do not undergo structural distortion on cooling from room temperature. - Graphical abstract: Introduction of Sr{sup 2+} into the double perovskite Ba{sub 2}ErMoO{sub 6} introduces increasingly large distortions from cubic symmetry and permits antiferromagnetic order at T {sub N}{<=}4 K.

  8. Low loss NiZn spinel ferrite-W-type hexaferrite composites from BaM addition for antenna applications

    NASA Astrophysics Data System (ADS)

    Zheng, Zongliang; Zhang, Huaiwu; Xiao, John Q.; Yang, Qinghui; Jia, Lijun

    2014-03-01

    A series of NiZn ferrite composites with various BaFe12O19 hexaferrite (BaM) additions (x) were successfully synthesized by the solid-state reaction method for their potential application as magneto-dielectric antenna substrate materials. XRD and energy-dispersive spectrum analyses reveal that a W-type hexagonal phase is formed when the mixture of NiZn ferrite and BaM are sintered at 1200 °C, and diphase composite ferrite that consists of NiZn spinel ferrite and BaW hexaferrite is finally obtained. The composites display much smaller grain size and a refined microstructure. With the increasing x, the initial permeability decreases from ˜84.5 to ˜15.5, while the cut-off frequency is dramatically improved from 75 to 570 MHz. BaM addition significantly inhibits the frequency dispersion of permittivity spectrum and stable permittivity ɛ‧ around 15 is observed for the doped samples from 1 MHz to 1 GHz, which is proved to be closely related to the refined grains according to Koops' theory. Besides, compared with the undoped NiZn ferrite, both the magnetic loss and dielectric loss are found to be reduced in the doped samples. Almost equal values of μ‧ and ɛ‧ is obtained in the sample with x = 30 wt%. Related magnetic and dielectric mechanisms are also discussed.

  9. A Blue-Emitting Phosphor of Tm3+ Ion-Doped BaY2ZnO5

    NASA Astrophysics Data System (ADS)

    Shih, Hung-Rung; Chang, Yee-Shin

    2017-07-01

    A phosphor of Tm3+ ion-doped BaY2ZnO5 which exhibits an emission in the blue region is synthesized via a vibrating milled solid-state reaction with metal oxides. The x-ray powder diffractometry patterns show that all the diffraction peaks are attributed to the orthorhombic BaY2ZnO5 structure for the Tm3+ ion concentration doping from 1 mol.% to 7 mol.%. Upon excitation at a wavelength of 362 nm, the emission intensity of the 1D2 → 3F4 transition is at a maximum when the Tm3+ concentration is 2 mol.% and decreases as the Tm3+ concentration increases, and there is concentration quenching when x > 0.02. A single exponential decay is observed for diluted samples, and a non-exponential decay occurs when BaY2ZnO5 is doped with a greater concentration of the Tm3+ ion. The Tm3+ ion-doped BaY2ZnO5 phosphor exhibits a vivid blue emission with a wavelength of 458 nm which has the Commission Internationale de I'Edairage (CIE) color coordinates of x = 0.148 and y = 0.035, and color purity is more than 96%, which is superior to the reported purity for commercial blue phosphors, such as Y2O3:Tm and ZnS:Ag.

  10. (Sr,Ba)(Si,Ge){sub 2} for thin-film solar-cell applications: First-principles study

    SciTech Connect

    Kumar, Mukesh E-mail: mkgarg79@gmail.com; Umezawa, Naoto; Imai, Motoharu

    2014-05-28

    In order to meet the increasing demand for electric power generation from solar energy conversion, the development of efficient light absorber materials has been awaited. To this end, the electronic and optical properties of advanced alkaline-earth-metals disilicides and digermanides (SrSi{sub 2}, BaSi{sub 2}, SrGe{sub 2}, and BaGe{sub 2}) are studied by means of the density functional theory using HSE06 exchange-correlation energy functional. Our calculations show that all these orthorhombic structured compounds have fundamental indirect band gaps in the range E{sub g} ≈ 0.89–1.25 eV, which is suitable for solar cell applications. The estimated lattice parameters and band gaps are in good agreement with experiments. Our calculations show that the electronic band structures of all four compounds are very similar except in the vicinity of the Γ-point. The valence band of these compounds is made up by Si(Ge)-p states, whereas the conduction band is composed of Sr(Ba)-d states. Their band alignments are carefully determined by estimating the work function of each compound using slab model. The optical properties are discussed in terms of the complex dielectric function ε(ω) = ε{sub 1}(ω) + iε{sub 2}(ω). The static and high-frequency dielectric constants are calculated, taking into account the ionic contribution. The absorption coefficient α(ω) demonstrates that a low energy dispersion of the conduction band, which results in a flat conduction band minimum, leads to large optical activity in these compounds. Therefore, alkaline-earth-metals disilicides and digermanides possess great potential as light absorbers for applications in thin-film solar cell technologies.

  11. Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Cinthia, A. Jemmy; Priyanga, G. Sudha; Rajeswarapalanichamy, R.; Iyakutti, K.

    2015-04-01

    The structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba) in the cubic (B1, B2 and B3) phases and in the wurtzite (B4) phase are investigated using density functional theory calculations as implemented in VASP code. The lattice constants, cohesive energy, bulk modulus, band structures and the density of states are computed. The calculated lattice parameters are in good agreement with the experimental and the other available theoretical results. Electronic structure reveals that all the five alkaline earth metal oxides exhibit semiconducting behavior at zero pressure. The estimated band gaps for the stable wurtzite phase of BeO is 7.2 eV and for the stable cubic NaCl phases of MgO, CaO, SrO and BaO are 4.436 eV, 4.166 eV, 4.013 eV, and 2.274 eV respectively. A pressure induced structural phase transition occurs from wurtzite (B4) to NaCl (B1) phase in BeO at 112.1 GPa and from NaCl (B1) to CsCl (B2) phase in MgO at 514.9 GPa, in CaO at 61.3 GPa, in SrO at 42 GPa and in BaO at 14.5 GPa. The elastic constants are computed at zero and elevated pressures for the B4 and B1 phases for BeO and for the B1 and B2 phases in the case of the other oxides in order to investigate their mechanical stability, anisotropy and hardness. The sound velocities and the Debye temperatures are calculated for all the oxides using the computed elastic constants.

  12. First-principles calculations of phonon and thermodynamic properties in the boron-alkaline earth metal binary systems: B-Ca, B-Sr, and B-Ba

    NASA Astrophysics Data System (ADS)

    Shang, Shunli; Wang, Yi; Liu, Zi-Kui

    2007-01-01

    The phonon and thermodynamic properties of the divalent alkaline-earth hexaborides, MB6 ( M=Ca , Sr, Ba), and the reference elements α-B , fcc-Ca, fcc-Sr, and bcc-Ba are investigated on the basis of first-principles projector augmented wave method together with the quasiharmonic phonon calculations. The calculated phonon dispersion relations by using the supercell approach are in good agreements with those obtained by the inelastic neutron scattering, Raman scattering, and infrared absorption. The experimentally revealed anomalous behaviors of phonon dispersions in the alkaline-earth metals are correctly predicted; i.e., for both fcc-Ca and fcc-Sr, the frequency of the lower transverse [ξξ0] branch exhibits slightly positive dispersion, and for bcc-Ba the frequency of the longitudinal branch along the [ξ00] direction is lower than that of the transverse branch. These anomalous phenomena can be traced back to the effect of d electron. The predicted phonon dispersion relations among CaB6 , SrB6 , and BaB6 show similar features except that the frequencies decrease from CaB6 , SrB6 , to BaB6 due to the influence of mass. It is also found that the low frequency T1u modes of CaB6 , SrB6 , and BaB6 have large LO/TO splitting (greater than 5THz ). To that end, the finite temperature thermodynamic properties (entropy, enthalpy, and Gibbs energy) of MB6 ( M=Ca , Sr, Ba) and elements B, Ca, Sr, and Ba are calculated; herein, both the electronic and phonon contributions are considered. This work indicates that the difference of the enthalpies of formation of CaB6 , SrB6 , and BaB6 is small (less than 4kJ/mol instead of the measured 30kJ/mol ), which agrees with the facts that they possess the similar phonon dispersion relations, melting temperatures, bulk moduli, and Debye temperatures.

  13. Magnetism in the magnetoelectric hexaferrite system (Ba1-xSrx)2Zn2Fe12O22

    NASA Astrophysics Data System (ADS)

    Novák, P.; Knížek, K.; Rusz, J.

    2007-07-01

    The hexaferrite system (Ba1-xSrx)2Zn2Fe12O22 possesses a rich magnetic phase diagram and for strontium content x=0.75 exhibits a magnetoelectricity, the existence of which is intimately connected to the noncollinear arrangement of the iron spins. The system comprises seven cation sublattices, two of which have tetrahedral coordination. The tetrahedral sublattices are partly occupied by Fe and partly by Zn. Using ab initio-calculated exchange interactions we show that the magnetism in the (Ba1-xSrx)2Zn2Fe12O22 system is sensitive to the Fe and Zn distributions. The region of existence of the noncollinear spin structure and hence of ferroelectricity is determined and found to be rather narrow. The critical temperature of magnetic ordering is calculated using molecular field and random phase approximations. The results are in good agreement with the experiment.

  14. A study of the pseudogap state in Bi2Sr2CaCu2Ox and Bi2Sr2ZnCu2Oy HTSC materials

    NASA Astrophysics Data System (ADS)

    Aliev, V. M.; Mamedova, A. N.; Raqimov, S. S.; Selim-zade, R. I.; Tairov, B. A.

    2016-10-01

    We examine the effect of replacing calcium by zinc has on the transport properties of the BiSrCaCuO-2221 system. It is shown that the critical temperatures Tc of the Bi2Sr2CaCu2Ox(B1) and Bi2Sr2ZnCu2Oy(B2) samples are close (81 K and 80.72 K). However, the resistivity ρ of the Bi2Sr2ZnCu2Oy sample increases considerably, and the ratio ρB2/ρB1 ≈ 10 at 100 K. We use the local pair model to analyze the mechanism behind the formation of excess conductivity in Bi2Sr2CaCu2Ox and Bi2Sr2ZnCu2Oy(B2), with consideration of the Aslamazov-Larkin theory near Tc. We determined the temperature T0 of the transition from the 2D fluctuation area to the 3D region (i.e., the 2D-3D crossover temperature). We calculated the coherence length of the fluctuation Cooper pairs along the c axis, ξc(0). It is shown that substituting Zn for Ca reduces ξc(0) by almost 1.5 times (4.8 Å and 3.3 Å, respectively), and also leads to a narrowing of both the pseudogap region and the superconducting fluctuation area near Tc. We determined the temperature dependence of the pseudogap Δ * T and Δ * (Tc). The increase of ρ, its specific temperature dependence and the significant decrease of T * in sample B2, all point to the destruction of local pairs at all high temperatures, i.e., to the suppression of the pseudogap by Zn doping.

  15. Influence of interfacial coherency on ferroelectric switching of superlattice BaTiO3/SrTiO3

    SciTech Connect

    Wu, Pingping; Ma, Xingqiao; Li, Yulan; Eom, C. B.; Schlom, Darrell G.; Gopalan, Venkatraman; Chen, Long-Qing

    2015-04-11

    Switching behavior of (BaTiO3)8/ (SrTiO3)4 heterostructure superlattice grown on SrTiO3 substrate was studied by employing the phase field method. To investigate the constraint effect of the substrate on switching, three types of superlattice/substrate interface mechanical relaxation conditions were considered, i.e. the fully ommensurate, partially relaxed and fully relaxed. Our simulation results demonstrated that the hysteresis loops under the three types of constraints were very different. The interfacial coherency affects dramatically the coercivity and remanence of the superlattice films. The mechanism of the hysteresis loop varying with interfacial coherency was analyzed by the ferroelectric domain configuration and its evolution during the switching process. The hysteresis loop of fully relaxed superlattice shows application potential on ferroelectric energy storage materials.

  16. Correlated nucleosynthetic isotopic variability in Cr, Sr, Ba, Sm, Nd and Hf in Murchison and QUE 97008

    NASA Astrophysics Data System (ADS)

    Qin, Liping; Carlson, Richard W.; Alexander, Conel M. O.'D.

    2011-12-01

    Acid leaching of the primitive C-chondrite Murchison and O-chondrite QUE 97008 reveal nucleosynthetic anomalies in Cr, Sr, Ba, Nd, Sm and Hf. The anomalies in all but Cr and Sm are best explained by variable additions of pure s-process nuclides to a background nebular composition slightly enriched in r-process isotopes compared to average Solar System material. Leaching leaves a residue in Murchison that is strongly enriched in s-process nuclides with depletions of over 0.1% in 135Ba and seven parts in 10,000 in 84Sr. If there are p-process anomalies in these two elements, they are lost in the variability caused by different r-, s-process contributions to the normalizing isotopes. The concentration and isotope systematics are consistent with the Ba and Sr isotopic composition in the Murchison residue being strongly influenced by s-process-rich presolar SiC. In general, the nucleosynthetic isotope anomalies are 2- to 5-fold smaller in QUE 97008 than in Murchison. The different magnitudes of isotope anomalies are similar to the difference in matrix abundance between CM and O chondrites consistent with the suggestion that the carriers of nucleosynthetically anomalous material preferentially reside in the matrix and that some of this material has been distributed throughout the O-chondrite minerals as a result of thermal metamorphism. Neodymium, Sm and Hf display variable s-, r-process nuclide abundances as in Ba and Sr, but the anomalies are much smaller (e.g. ɛ 148Nd, ɛ 148Sm = -5.7, 2.1, respectively, in Murchison and -0.43, 0.16, respectively in QUE 97008 residues). After correcting Nd and Sm for s-, r-process variability, Sm in whole rock chondrites shows variable relative abundances of the p-process isotope 144Sm that correlate weakly with 142Nd suggesting that the direct p-process contribution to 142Nd is small (˜7-9%). Nucleosynthetic variability in Nd explains the range in 142Nd/ 144Nd seen between C and O, E-chondrites, but not the difference between

  17. Growth of Sr(0.61)Ba(0.39)Nb2O6 fibers - New results regarding orientation

    NASA Technical Reports Server (NTRS)

    Wilde, Jeffrey P.; Jundt, Dieter H.; Galambos, Ludwig; Hesselink, Lambertus

    1991-01-01

    The paper describes stable growth of Sr(0.61)Ba(0.39)Nb2O6 (SBN) single-crystal optical fibers (grown by the laser-heated pedestal growth method) along the 100-line and 110-line crystallographic axes. The orientation of SBN fibers was investigated using transmission holograms recorded by focusing two separate, but mutually coherent, optical wavefronts into one end of the fiber. Results showed that the crystal quality of 100-line and 110-line SBN fibers grown at a given pull velocity strongly depended on the fiber diameter; generally, the quality improves with decreasing diameter.

  18. Tilting structures in inverse perovskites, M3TtO (M = Ca, Sr, Ba, Eu; Tt = Si, Ge, Sn, Pb).

    PubMed

    Nuss, Jürgen; Mühle, Claus; Hayama, Kyouhei; Abdolazimi, Vahideh; Takagi, Hidenori

    2015-06-01

    Single-crystal X-ray diffraction experiments were performed for a series of inverse perovskites, M3TtO (M = Ca, Sr, Ba, Eu; Tt = tetrel element: Si, Ge, Sn, Pb) in the temperature range 500-50 K. For Tt = Sn, Pb, they crystallize as an 'ideal' perovskite-type structure (Pm3m, cP5); however, all of them show distinct anisotropies of the displacement ellipsoids of the M atoms at room temperature. This behavior vanishes on cooling for M = Ca, Sr, Eu, and the structures can be regarded as `ideal' cubic perovskites at 50 K. The anisotropies of the displacement ellipsoids are much more enhanced in the case of the Ba compounds. Finally, their structures undergo a phase transition at ∼ 150 K. They change from cubic to orthorhombic (Ibmm, oI20) upon cooling, with slightly tilted OBa6 octahedra, and bonding angles O-Ba-O ≃ 174° (100 K). For the larger Ba(2+) cations, the structural changes are in agreement with smaller tolerance factors (t) as defined by Goldschmidt. Similar structural behavior is observed for Ca3TtO. Smaller Tt(4-) anions (Si, Ge) introduce reduced tolerance factors. Both compounds Ca3SiO and Ca3GeO with cubic structures at 500 K, change into orthorhombic (Ibmm) at room temperature. Whereby, Ca3SiO is the only representative within the M3TtO family where three polymorphs can be found within the temperature range 500-50 K: Pm3m-Ibmm-Pbnm. They show tiny differences in the tilting of the OCa6 octahedra, expressed by O-Ca-O bond angles of 180° (500 K), ∼ 174° (295 K) and 170° (100 K). For larger M (Sr, Eu, Ba), together with smaller Tt (Si, Ge) atoms, pronounced tilting of the OM6 octahedra, and bonding angles of O-M-O ≃ 160° (295 K) are observed. They crystallize in the anti-GdFeO3 type of structure (Pbnm, oP20), and no phase transitions occur between 500 and 50 K. The observed phase transitions are all accompanied by multiple twinning, in terms of pseudo-merohedry or reticular pseudo-merohedry.

  19. Elevated silver, barium and strontium in antlers, vegetation and soils sourced from CWD cluster areas: do Ag/Ba/Sr piezoelectric crystals represent the transmissible pathogenic agent in TSEs?

    PubMed

    Purdey, Mark

    2004-01-01

    High levels of Silver (Ag), Barium (Ba) and Strontium (Sr) and low levels of copper (Cu) have been measured in the antlers, soils and pastures of the deer that are thriving in the chronic wasting disease (CWD) cluster zones in North America in relation to the areas where CWD and other transmissible spongiform encephalopathies (TSEs) have not been reported. The elevations of Ag, Ba and Sr were thought to originate from both natural geochemical and artificial pollutant sources--stemming from the common practise of aerial spraying with 'cloud seeding' Ag or Ba crystal nuclei for rain making in these drought prone areas of North America, the atmospheric spraying with Ba based aerosols for enhancing/refracting radar and radio signal communications as well as the spreading of waste Ba drilling mud from the local oil/gas well industry across pastureland. These metals have subsequently bioconcentrated up the foodchain and into the mammals who are dependent upon the local Cu deficient ecosystems. A dual eco-prerequisite theory is proposed on the aetiology of TSEs which is based upon an Ag, Ba, Sr or Mn replacement binding at the vacant Cu/Zn domains on the cellular prion protein (PrP)/sulphated proteoglycan molecules which impairs the capacities of the brain to protect itself against incoming shockbursts of sound and light energy. Ag/Ba/Sr chelation of free sulphur within the biosystem inhibits the viable synthesis of the sulphur dependent proteoglycans, which results in the overall collapse of the Cu mediated conduction of electric signals along the PrP-proteoglycan signalling pathways; ultimately disrupting GABA type inhibitory currents at the synapses/end plates of the auditory/circadian regulated circuitry, as well as disrupting proteoglycan co-regulation of the growth factor signalling systems which maintain the structural integrity of the nervous system. The resulting Ag, Ba, Sr or Mn based compounds seed piezoelectric crystals which incorporate PrP and ferritin into

  20. High-mobility two-dimensional electron gas in SrGeO3- and BaSnO3-based perovskite oxide heterostructures: an ab initio study.

    PubMed

    Wang, Yaqin; Tang, Wu; Cheng, Jianli; Nazir, Safdar; Yang, Kesong

    2016-11-23

    We explored the possibility of producing a high-mobility two-dimensional electron gas (2DEG) in the LaAlO3/SrGeO3 and LaGaO3/BaSnO3 heterostructures using first-principles electronic structure calculations. Our results show that the 2DEG occurs at n-type LaAlO3/SrGeO3 and LaGaO3/BaSnO3 interfaces. Compared to the prototype LaAlO3/SrTiO3, LaAlO3/SrGeO3 and LaGaO3/BaSnO3 systems yield comparable total interfacial charge carrier density but much lower electron effective mass (nearly half the value of LaAlO3/SrTiO3), thus resulting in about twice larger electron mobility and enhanced interfacial conductivity. This work demonstrates that SrGeO3 and BaSnO3 can be potential substrate materials to achieve a high-mobility 2DEG in the perovskite-oxide heterostructures.

  1. Surface composition of BaTiO{sub 3}/SrTiO{sub 3}(001) films grown by atomic oxygen plasma assisted molecular beam epitaxy

    SciTech Connect

    Barbier, A.; Stanescu, D.; Jegou, P.; Magnan, H.; Mocuta, C.; Jedrecy, N.

    2012-12-01

    We have investigated the growth of BaTiO{sub 3} thin films deposited on pure and 1% Nb-doped SrTiO{sub 3}(001) single crystals using atomic oxygen assisted molecular beam epitaxy and dedicated Ba and Ti Knudsen cells. Thicknesses up to 30 nm were investigated for various layer compositions. We demonstrate 2D growth and epitaxial single crystalline BaTiO{sub 3} layers up to 10 nm before additional 3D features appear; lattice parameter relaxation occurs during the first few nanometers and is completed at {approx}10 nm. The presence of a Ba oxide rich top layer that probably favors 2D growth is evidenced for well crystallized layers. We show that the Ba oxide rich top layer can be removed by chemical etching. The present work stresses the importance of stoichiometry and surface composition of BaTiO{sub 3} layers, especially in view of their integration in devices.

  2. M{sup II}Ge(PO{sub 4}){sub 2} (M=Ca, Sr, Ba): Crystal structure, phase transitions and thermal expansion

    SciTech Connect

    Popa, Karin; Wallez, Gilles; Bregiroux, Damien; Loiseau, Pascal

    2011-10-15

    Three earth alkali-germanium monophosphates M{sup II}Ge(PO{sub 4}){sub 2} (M=Ca, Sr, Ba) were prepared by solid state reaction and their structures, previously unknown, studied by Rietveld analysis. BaGe(PO{sub 4}){sub 2} and high-temperature {beta}-SrGe(PO{sub 4}){sub 2} (space group C2/m, Z=2) are fully isotypic with yavapaiite, whereas CaGe(PO{sub 4}){sub 2} and low-temperature {alpha}-SrGe(PO{sub 4}){sub 2} (C2/c, Z=4) are distorted derivatives. The phase transition between the two forms is observed for the first time. The thermal expansion, resulting from several structural mechanisms, is very anisotropic. - Graphical abstract: The superstructure of SrGe(PO{sub 4}){sub 2} at room temperature ({alpha}) results from the off-centering of cation Sr{sup II}. Highlights: > Crystal structures of yavapaiite-type M{sup II}Ge(PO{sub 4}){sub 2} (M=Ca, Sr, Ba) have been solved. > Distortion and superstructure result from Ca and Sr off-centering. > A global scheme for the polymorphism of yavapaiites is proposed.

  3. Role of film stoichiometry and interface quality in the performance of (Ba,Sr)TiO3 tunable capacitors with high figures of merit

    NASA Astrophysics Data System (ADS)

    Freeze, Christopher R.; Stemmer, Susanne

    2016-11-01

    Parallel plate capacitors with quality factors exceeding 1000 were fabricated using Ba0.3Sr0.7TiO3 (BST) thin films grown by hybrid molecular beam epitaxy on epitaxial Pt bottom electrodes. The influence of film stoichiometry was investigated by varying the (Ba + Sr)/Ti ratio around the stoichiometric composition. The quality factor is highest for stoichiometric films, but (Ba + Sr)-rich films can be biased to higher fields. Furthermore, two different processes were used to deposit the top electrodes of the parallel plate capacitors. While the quality of the top contact/BST interface did not strongly affect the device quality factor, an enhancement in the dielectric tunability was seen for capacitors with top electrodes deposited at high temperatures, which effectively removes interfacial contamination layers.

  4. The influences of mole composition of strontium (x) on properties of barium strontium titanate (Ba{sub 1−x}Sr{sub x}TiO{sub 3}) prepared by solid state reaction method

    SciTech Connect

    Sandi, Dianisa Khoirum; Supriyanto, Agus; Iriani, Yofentina; Jamaluddin, Anif

    2016-02-08

    Barium Strontium Titanate (Ba{sub 1-x}Sr{sub x}TiO{sub 3}) or BST was prepared by solid state reaction method. Raw materials are BaCO{sub 3}, SrCO{sub 3}, and TiO{sub 2}. Those materials are mixed for 8 h, pressed, and sintered at temperature 1200°C for 2 h. Mole composition of Sr (x) was varied to study its influences on structural, morphological, and electrical properties of BST. Variation of (x) are x = 0; x = 0.1; and x = 0.5. XRD patterns showed a single phase of BST, which mean that mixture of raw materials was homogenous. Crystal structure was influenced by x. BaTiO{sub 3} and Ba{sub 0.9}Ti{sub 0.1}TiO{sub 3} have tetragonal crystal structure, while Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} is cubic. The diffraction angle shifted to right side (angle larger) as the increases of x. Crystalline size of BaTiO{sub 3}, Ba{sub 0.9}Sr{sub 0.1}TiO{sub 3}, and Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} are 38.13 nm; 38.62 nm; and 37.13 nm, respectively. SEM images showed that there are still of pores which were influenced by x. Ba{sub 0.9}Sr{sub 0.1}TiO{sub 3} has densest surface (pores are few and small in size). Sawyer Tower circuit showed that BaTiO{sub 3} and Ba{sub 0.9}Sr{sub 0.1} TiO{sub 3} is ferroelectric, while Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} is paraelectric. The dielectric constants of BaTiO{sub 3}, Ba{sub 0.9}Sr{sub 0.1}TiO{sub 3} and Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} at frequency of 1 KHz are 156; 196; and 83, respectively. Ba{sub 0.9}Sr{sub 0.1}TiO{sub 3} has relatively highest dielectric constant. It is considered that Ba{sub 0.9}Sr{sub 0.1}TiO{sub 3} has densest surface.

  5. Crystal and magnetic structures and their temperature dependence of Co2Z-type hexaferrite (Ba,Sr)3Co2Fe24O41 by high-temperature neutron diffraction

    NASA Astrophysics Data System (ADS)

    Takada, Yukio; Nakagawa, Takashi; Tokunaga, Masatoshi; Fukuta, Yasunari; Tanaka, Takayoshi; Yamamoto, Takao A.; Tachibana, Takeshi; Kawano, Shinji; Ishii, Yoshinobu; Igawa, Naoki

    2006-08-01

    We have prepared nonoriented and magnetically oriented specimens of Co2Z-type Ba ferrite Ba3Co2Fe24O41 (Ba3Z) and those with Sr2+ substitution for Ba2+, i.e., Ba1.5Sr1.5Co2Fe24O41 (Ba1.5Sr1.5Z) and Sr3Co2Fe24O41 (Sr3Z) with the conventional solid-state reaction method. Permeability measurements of nonoriented specimens have shown that this substitution improves the frequency characteristic of permeability, though the permeability in Sr3Z significantly decreases. X-ray diffraction (XRD) and magnetization measurements of magnetically oriented specimens have shown that the magnetic moments of iron and cobalt ions in Ba3Z and Ba1.5Sr1.5Z lie in the c plane, but that those in Sr3Z deviate from the c plane. We have studied the substitution effect of Sr2+ for Ba2+ on the crystal structures and the effective sizes and directions of magnetic moments and their temperature dependences with high-temperature neutron diffraction technique. This substitution induces the change in the distribution of cobalt ions and moment directions of magnetic ions. Magnetic moments in Ba3Z and Ba1.5Sr1.5Z turn to the c axis when temperature rises from 523to573K. However, the moments in Sr3Z turn to the c axis at the lower temperature of 50K. These results were consistent with the present measurements on permeability, XRD, and magnetization. The change in moment direction caused by temperature rise must be attributed to the disappearance of effective moments of cobalt ions in these temperature regions.

  6. Temperature dependences of the electromechanical and electrocaloric properties of Ba(Zr,Ti)O3 and (Ba,Sr)TiO3 ceramics

    NASA Astrophysics Data System (ADS)

    Maiwa, Hiroshi

    2017-10-01

    The electrocaloric properties of Ba(Zr,Ti)O3 and (Ba,Sr)TiO3 ceramics (BZT and BST, respectively) were investigated by the indirect estimation and direct measurement of temperature–electric field (T–E) hysteresis loops. The measured T–E loops had shapes similar to those of the strain–electric field (s–E) loops. The measured temperature changes (ΔTs) at around 30 °C of the BZT ceramics sintered at 1450 °C and BST ceramics sintered at 1600 °C upon the release of the electric field from 30 kV/cm to 0 were 0.34 and 0.57 K, respectively. The temperature dependences of the electromechanical and electrocaloric properties were investigated. The BZT ceramics sintered at 1450 °C exhibited the largest electromechanical and electrocaloric properties at around 30 °C, which corresponds to the phase transition temperature. BST is more temperature dependent than BZT. BST ceramics sintered at 1600 °C exhibited the largest electromechanical and electrocaloric properties at around 29 °C, which is about 10 °C higher than the phase transition temperature.

  7. Ultrathin oxide films and heterojunctions: CaO layers on BaO and SrO.

    PubMed

    Mohn, Chris E; Allan, Neil L; Harding, John H

    2009-05-07

    We examine the form of the islands formed by CaO on BaO and SrO substrates using both periodic density functional theory and atomistic simulation techniques. (100) edges dominate the island morphology and we examine how the CaO adjusts to the substrate in small and medium sized islands and at much larger coverages. There is no direct overlay of CaO ion pairs over OBa or OSr pairs in the top substrate layer. Rather, island bond lengths are all much shorter than those even in bulk CaO, even in the interior of the islands, and more similar to those in CaO clusters and isolated thin films. Corner atoms are associated with particularly short Ca-O bond lengths and the low coordination numbers at such positions. The islands show a marked deviation from planarity which can be broadly rationalized in terms of different preferential bond lengths for Ca and O with substrate O and Ba (Sr), respectively. The marked preferences for particular bond lengths lead to the formation of loops or gaps in non-square islands, areas where islands interact and along the mid-edges of large islands. Exchange with the much larger cations in the substrate is surprisingly facile. Our results indicate the difficulties of preparing sharp, ordered thin oxide films even at low temperatures.

  8. Acoustoelastic effect of textured (Ba,Sr)TiO{sub 3} thin films under an initial mechanical stress

    SciTech Connect

    Kamel, Marwa; Mseddi, Souhir; Njeh, Anouar; Ben Ghozlen, Mohamed Hédi; Donner, Wolfgang

    2015-12-14

    Acoustoelastic (AE) analysis of initial stresses plays an important role as a nondestructive tool in current engineering. Two textured BST (Ba{sub 0.65}Sr{sub 0.35}TiO{sub 3}) thin films, with different substrate to target distance, were grown on Pt(111)/TiO{sub 2}/SiO{sub 2}/Si(001) substrate by rf-magnetron sputtering deposition techniques. A conventional “sin{sup 2} ψ” method to determine residual stress and strain in BST films by X-ray diffraction is applied. A laser acoustic waves (LA-waves) technique is used to generate surface acoustic waves (SAW) propagating in both samples. Young's modulus E and Poisson ratio ν of BST films in different propagation directions are derived from the measured dispersion curves. Estimation of effective second-order elastic constants of BST thin films in stressed states is served in SAW study. This paper presents an original investigation of AE effect in prestressed Ba{sub 0.65}Sr{sub 0.35}TiO{sub 3} films, where the effective elastic constants and the effect of texture on second and third order elastic tensor are considered and used. The propagation behavior of Rayleigh and Love waves in BST thin films under residual stress is explored and discussed. The guiding velocities affected by residual stresses, reveal some shifts which do not exceed four percent mainly in the low frequency range.

  9. Acoustoelastic effect of textured (Ba,Sr)TiO3 thin films under an initial mechanical stress

    NASA Astrophysics Data System (ADS)

    Kamel, Marwa; Mseddi, Souhir; Njeh, Anouar; Donner, Wolfgang; Ben Ghozlen, Mohamed Hédi

    2015-12-01

    Acoustoelastic (AE) analysis of initial stresses plays an important role as a nondestructive tool in current engineering. Two textured BST (Ba0.65Sr0.35TiO3) thin films, with different substrate to target distance, were grown on Pt(111)/TiO2/SiO2/Si(001) substrate by rf-magnetron sputtering deposition techniques. A conventional "sin2 ψ" method to determine residual stress and strain in BST films by X-ray diffraction is applied. A laser acoustic waves (LA-waves) technique is used to generate surface acoustic waves (SAW) propagating in both samples. Young's modulus E and Poisson ratio ν of BST films in different propagation directions are derived from the measured dispersion curves. Estimation of effective second-order elastic constants of BST thin films in stressed states is served in SAW study. This paper presents an original investigation of AE effect in prestressed Ba0.65Sr0.35TiO3 films, where the effective elastic constants and the effect of texture on second and third order elastic tensor are considered and used. The propagation behavior of Rayleigh and Love waves in BST thin films under residual stress is explored and discussed. The guiding velocities affected by residual stresses, reveal some shifts which do not exceed four percent mainly in the low frequency range.

  10. Current Status of Thin Film (Ba,Sr)TiO3 Tunable Microwave Components for RF Communications

    NASA Technical Reports Server (NTRS)

    VanKeuls, F. W.; Romanofsky, R. R.; Mueller, C. H.; Warner, J. D.; Canedy, C. L.; Ramesh, R.; Miranda, F. A.

    2000-01-01

    The performance of proof-of-concept ferroelectric microwave devices has been moving steadily closer to the level needed for satellite and other rf communications applications. This paper will review recent progress at NASA Glenn in developing thin film Ba(x)Sr(1-x)TiO3 tunable micro-wave components for these applications. Phase shifters for phased array antennas, tunable filters and tunable oscillators employing microstrip and coupled microstrip configurations will be presented. Tunabilities, maximum dielectric constants, and phase shifter parameters will be discussed (e.g., coupled microstrip phase shifters with phase shift over 200 deg at 18 GHz and a figure of merit of 74.3 deg/dB). Issues of post-annealing, Mn-doping and Ba(x)Sr(1-x) TiO3 growth on sapphire and alumina substrates will be covered. The challenges of incorporating these devices into larger systems, such as yield, variability in phase shift and insertion loss, and protective coatings will also be addressed.

  11. Current Status of Thin Film (Ba,Sr) TiO3 Tunable Microwave Components for RF Communications

    NASA Technical Reports Server (NTRS)

    VanKeuls, F. W.; Romananofsky, R. R.; Mueller, C. H.; Warner, J. D.; Canedy, C. L.; Ramesh, R.; Miranda, F. A.

    2000-01-01

    The performance of proof-of-concept ferroelectric microwave devices has been moving steadily closer to the level needed for satellite and other rf communications applications. This paper will review recent progress at NASA Glenn in developing thin film Ba(x)Sr(1-x)TiO3 tunable microwave components for these applications. Phase shifters for phased array antennas, tunable filters and tunable oscillators employing microstrip and coupled microstrip configurations will be presented. Tunabilities, maximum dielectric constants, and phase shifter parameters will be discussed (e.g., coupled microstrip phase shifters with phase shift over 200 deg. at 18 GHz and a figure of merit of 74.3 deg./dB). Issues of postannealing, Mn-doping and Ba(x)Sr(1-x)TiO3 growth on sapphire and alumina substrates will be covered. The challenges of incorporating these devices into larger systems, such as yield, variability in phase shift and insertion loss, and protective coatings will also be addressed.

  12. Thickness Dependence of Characteristics for (Ba, Sr)TiO3 Thin Films Prepared by Metalorganic Chemical Vapor Deposition

    NASA Astrophysics Data System (ADS)

    Takeshima, Yutaka; Tanaka, Katsuhiko; Sakabe, Yukio

    2000-09-01

    (Ba0.6, Sr0.4)TiO3 thin films were prepared by metalorganic chemical vapor deposition (MOCVD) using bisdipvaloylmethanatobarium tetraethylenepentamine adduct (Ba(C11H19O2)2(C8H23N5)2), bisdipvaloylmethanatostrontium tetraethylenepentamine adduct (Sr(C11H19O2)2(C8H23N5)2), and titanium isopropoxide (Ti(i-OC3H7)4) as starting materials. The thickness dependence of permittivity and other characteristics were investigated for epitaxially grown barium strontium titanate (BST) thin films on Pt(100)/MgO(100) substrates and nonepitaxially grown BST films on Pt(111)/MgO(100) substrates. The epitaxially grown films had a high relative permittivity (1200) at thicknesses greater than 120 nm. Permittivity decreased with the film thickness when the thickness was less than 120 nm, but remained constant at thicknesses between 50 and 80 nm. The nonepitaxially grown films had a relative permittivity of 600 at a thickness greater than 100 nm and decreased with decreasing film thickness when the thickness was below 100 nm. In this paper, the origin of thickness dependence is discussed in terms of the grain-size effect and the strain effect.

  13. Strain-induced ferroelectricity and lattice coupling in BaSnO3 and SrSnO3.

    PubMed

    Zhang, Yajun; Wang, Jie; Sahoo, M P K; Shimada, Takahiro; Kitamura, Takayuki

    2017-09-19

    Perovskite stannates such as BaSnO3 and SrSnO3 exhibit promising photovoltaic properties, and hold promise for application in solar cell devices. However, the lack of ferroelectricity and the wide band gap in these materials limit their potential for photovoltaic applications. Here, by first-principles calculations, we demonstrate the realization of a primary ferroelectric polarization in non-ferroelectric BaSnO3 and SrSnO3 through strain engineering. In addition to the appearance of polarization, the band gaps of the materials are greatly narrowed when the paraelectric to ferroelectric phase transition takes place under compressive strain. Furthermore, an intriguing Q2 mode triggered by lattice coupling with the polar mode is found in the stannates subjected to a sufficient tensile strain and this mode has a significant effect on the band gap, which suggests another pathway to narrow the band gap through the electric field control of the Q2 mode. The fruitful electronic, structural, and energetic properties are discussed in detail to achieve a fundamental understanding of the strain-induced ferroelectricity, tunable band gap, and lattice couplings between the Q2 mode and different polar/rotational distortions in the perovskite stannates.

  14. Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions

    NASA Astrophysics Data System (ADS)

    Chambers, Scott A.; Kaspar, Tiffany C.; Prakash, Abhinav; Haugstad, Greg; Jalan, Bharat

    2016-04-01

    We have spectroscopically determined the optical bandgaps and band offsets at epitaxial interfaces of BaSnO3 with SrTiO3(001) and LaAlO3(001). 28 u.c. BaSnO3 epitaxial films exhibit direct and indirect bandgaps of 3.56 ± 0.05 eV and 2.93 ± 0.05 eV, respectively. The lack of a significant Burstein-Moss shift corroborates the highly insulating, defect-free nature of the BaSnO3 films. The conduction band minimum is lower in electron energy in 5 u.c. films of BaSnO3 than in SrTiO3 and LaAlO3 by 0.4 ± 0.2 eV and 3.7 ± 0.2 eV, respectively. This result bodes well for the realization of oxide-based, high-mobility, two-dimensional electron systems that can operate at ambient temperature, since electrons generated in the SrTiO3 by modulation doping, or at the BaSnO3/LaAlO3 interface by polarization doping, can be transferred to and at least partially confined in the BaSnO3 film.

  15. Enhanced microwave dielectric properties of Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} ceramics doping by metal Fe powders

    SciTech Connect

    Zhang Qiwei; Zhai Jiwei; Yao Xi; Ben Qianqian; Yu Xian

    2012-11-15

    Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} ceramics by adding mental Fe powders have been fabricated via the solid-state reaction method. The microstructures and optical properties of samples are systematically studied in order to establish the effects of Fe powder additives on microwave dielectric properties of Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} ceramics by x-ray diffraction, x-ray photoelectron spectroscopy, and optical reflective spectrum. The results show the coexistence of Fe{sup 2+} and Fe{sup 3+} in Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} ceramics, the decrease of O vacancy concentrations, and their incorporation into the B-site (Ti) of the Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} host lattice give rise to excellent microwave dielectric properties. All samples have a higher Q value above 290 while maintaining relatively high tunability above 16.6%. In particular, the sample with the composition of x = 0.035 mol has the dielectric constant of 889, Q Multiplication-Sign f value of 826 (at 1.370 GHz), and tunability of 24%, which are very promising for high power tunable devices. In comparison, Fe{sub 2}O{sub 3} oxide doped Ba{sub 0.4}Sr{sub 0.6}TiO{sub 3} ceramics with the same molar ratios of Fe exhibit inferior microwave properties. It indicates that additives of the metal Fe powders can more effectively improve dielectric properties of Ba{sub x}Sr{sub 1-x}TiO{sub 3} system than Fe{sub 2}O{sub 3} oxide.

  16. Synthesis, structures and photocatalytic activities of microcrystalline ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) powders

    SciTech Connect

    Wu, Weiming; Liang, Shijing; Wang, Xiaowei; Bi, Jinhong; Liu, Ping; Wu, Ling

    2011-01-15

    Microcrystalline ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) photocatalysts were successfully synthesized by a citrate complex method. The as-prepared samples were characterized by the X-ray diffraction technique, BET surface area analysis, UV-vis diffuse reflectance spectrum, transmission electron microscopy, X-ray photoelectron spectroscopy and inductively coupled plasma-atomic emission spectrometry. The results indicated that single-phase orthorhombic SrBi{sub 2}Nb{sub 2}O{sub 9} could be obtained after being calcined above 650 {sup o}C, while BaBi{sub 2}Nb{sub 2}O{sub 9} was tetragonal. Based on the diffuse reflectance spectra, the band gaps of the obtained samples were calculated to be around 3.34-3.54 eV. For the photocatalytic redox reaction of methyl orange under UV-light irradiation, SrBi{sub 2}Nb{sub 2}O{sub 9} exhibited higher photocatalytic activity than that of BaBi{sub 2}Nb{sub 2}O{sub 9}. The effects of the crystallinities, BET surface areas and crystal structures of the samples on the photocatalytic activities were discussed in detail. -- Graphical abstract: Aurivillius-type ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba) photocatalysts were successfully synthesized by a citrate complex method. SrBi{sub 2}Nb{sub 2}O{sub 9} and BaBi{sub 2}Nb{sub 2}O{sub 9} showed different photocatalytic performances in the redox reaction of methyl orange (MO) under UV-light ({lambda}=254 nm), due to the different crystal structures of ABi{sub 2}Nb{sub 2}O{sub 9} (A=Sr, Ba). Display Omitted

  17. Neutron Scattering Study in Breathing Pyrochlore Antiferromagnet Ba3Yb2Zn5O11

    NASA Astrophysics Data System (ADS)

    Haku, T.; Soda, M.; Sera, M.; Kimura, K.; Taylor, J.; Itoh, S.; Yokoo, T.; Matsumoto, Y.; Yu, D.; Mole, R. A.; Takeuchi, T.; Nakatsuji, S.; Kono, Y.; Sakakibara, T.; Chang, L.-J.; Masuda, T.

    2017-04-01

    Inelastic neutron scattering (INS) study on breathing pyrochlore antiferromagnet Ba3Yb2Zn5O11 is presented. Observed crystalline electric field (CEF) excitations are explained by a Hamiltonian of Kramers ion Yb3+ of which the local symmetry exhibits C3v point group symmetry. The magnetic susceptibility is consistently reproduced by the energy scheme of the CEF excitations. The INS spectra in the low-energy range are quantitatively explained by spin-1/2 single-tetrahedron model having XXZ anisotropy and Dzyaloshinskii-Moriya interaction. This model has a two-fold degeneracy of the lowest-energy state per tetrahedron and well reproduces the bulk properties at T ≥ 0.5K. At lower temperatures, however, we observe a broad maximum in the heat capacity around 63 mK, demonstrating that a unique quantum ground state is selected due to extra perturbations.

  18. Geometry and Vibrational Spectra of the Alkaline Earth Dihalides. III. MgCl2, CaCl2, SrCl2 and BaCl2.

    DTIC Science & Technology

    The infrared spectra of MgCl2 , CaCl2, SrCl2 and BaCl2 trapped in solid krypton matrices at 20K are reported. From precise measurements of changes in...the vibrational modes on isotopic substitution, a linear configuration for MgCl2 and CaCl2 is confirmed and an apex angle of 120 degrees is...established for SrCl. For BaCl2 the bond angle has been estimated at 100 degrees. Using a valence force field a set of force constants has been obtained from

  19. Structure-Property Relationships in W Doped (Ba,Sr)TiO(3) Thin Films Deposited by Pulsed Laser Deposition on (001) MgO

    DTIC Science & Technology

    2003-04-03

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP013347 TITLE: Structure-Property Relationships in W Doped [Ba,Sr]TiO[3... Doped (Ba,Sr)TiO 3 Thin Films Deposited by Pulsed Laser Deposition on (001) MgO N. Navi1’*, J.S. Horwitz, H.-D. Wu2 and S.B. Qadri, Naval Research...oscillators, delay lines and phase shifters [1]. These devices will reduce the size and the operating power of the current semiconducting and ferrite based

  20. Heterostructures (CaSrBa)F2 on InP for Optoelectronics

    DTIC Science & Technology

    1995-01-01

    and SrF2 layers onto InP(100) have been grown at 350’C under ultra-high vacuum conditions using epitaxial and bulk substrates. MBE and Laser Vacuum... SrF2 /InP diodes prepared by sublimation of the fluoride under vacuum, an important modulation without hysteresis of the surface potential of the...grew the thin films of SrF2 by sublimation under a classical vacuum (10-7 Torr). They showed by Rutherford backscattering and by XPS measurements that

  1. Thermally assisted interlayer magnetic coupling through Ba0.05Sr0.95TiO3 barriers

    NASA Astrophysics Data System (ADS)

    Carreira, Santiago J.; Avilés Félix, Luis; Sirena, Martín; Alejandro, Gabriela; Steren, Laura B.

    2016-08-01

    We report on the interlayer exchange coupling across insulating barriers observed on Ni80Fe20/Ba0.05Sr0.95TiO3/La0.66Sr0.33MnO3 (Py/BST0.05/LSMO) trilayers. The coupling mechanism has been analyzed in terms of the barrier thickness, samples' substrate, and temperature. We examined the effect of MgO (MGO) and SrTiO3 (STO) (001) single-crystalline substrates on the magnetic coupling and also on the magnetic anisotropies of the samples in order to get a deeper understanding of the magnetism of the structures. We measured a weak coupling mediated by spin-dependent tunneling phenomena whose sign and strength depend on barrier thickness and substrate. An antiferromagnetic (AF) exchange prevails for most of the samples and smoothly increases with the barrier thicknesses as a consequence of the screening effects of the BST0.05. The coupling monotonically increases with temperature in all the samples and this behavior is attributed to thermally assisted mechanisms. The magnetic anisotropy of both magnetic components has a cubic symmetry that in the case of permalloy is added to a small uniaxial component.

  2. Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

    PubMed Central

    Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

    2017-01-01

    The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices. PMID:28195149

  3. Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

    NASA Astrophysics Data System (ADS)

    Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

    2017-02-01

    The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices.

  4. Blue-shift of Eu²⁺ emission in (Ba,Sr)₃Lu(PO₄)₃:Eu²⁺ eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.

    PubMed

    Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S; Atuchin, Victor V; Liu, QuanLin

    2014-11-28

    A series of iso-structural eulytite-type (Ba,Sr)3Lu(PO4)3:Eu(2+) solid-solution phosphors with different Sr/Ba ratios were synthesized by a solid-state reaction. Crystal structures of (Ba,Sr)3Lu(PO4)3:Eu(2+) were resolved by the Rietveld method, which shows an eulytite-type cubic Bi4(SiO4)3 structure with cations disordered in a single C3 site while the oxygen atoms were distributed over two partially occupied sites. The emission peaks of Ba((3-x))Sr(x)Lu(PO4)3:Eu(2+) (0 ≤ x ≤ 3) phosphors were blue-shifted, from 506 to 479 nm, with increasing Sr/Ba ratio upon the same excitation wavelength of 365 nm, and such interesting luminescence behaviours can also be found in other eulytite-type (Ba,Sr)3Ln(PO4)3:Eu(2+) (Ln = Y, Gd) solid-solution phosphors. The blue-shift of the Eu(2+) emission with increasing Sr/Ba ratio was ascribed to the variation of the crystal field strength that the 5d orbital of Eu(2+) ion experiences, and a new model based on the Eu-O bond length and released neighboring-cation stress in disordered Ba(2+)/Sr(2+)/Ln(3+) sites is proposed.

  5. Different response of osteoblastic cells to Mg(2+), Zn(2+) and Sr(2+) doped calcium silicate coatings.

    PubMed

    Hu, Dandan; Li, Kai; Xie, Youtao; Pan, Houhua; Zhao, Jun; Huang, Liping; Zheng, Xuebin

    2016-03-01

    Mg(2+), Zn(2+) and Sr(2+) substitution for Ca(2+) in plasma sprayed calcium silicate (Ca-Si) coatings have been reported to impede their degradation in physiological environment and, more importantly, to improve their biological performance. The reason for the improved biological performance is still elusive and, especially, the contribution of the dopant ions is lack of obvious and direct evidence. In this study, we aim to identify the effect of Mg(2+), Zn(2+) and Sr(2+) incorporation on the osteogenic ability of Ca-Si based coatings (Ca2MgSi2O7, Ca2ZnSi2O7 and Sr-CaSiO3) by minimizing the influence of Ca and Si ions release and surface physical properties. Similar surface morphology, crystallinity and roughness were achieved for all samples by optimizing the spray parameters. As expected, Ca and Si ions release from all the coatings showed the comparable concentration with immersing time. The response of MC3T3-E1 cells onto Mg(2+), Zn(2+) and Sr(2+) doped Ca-Si coatings were studied in terms of osteoblastic adhesion, proliferation, differentiation and mineralization. The results showed that the level of cell adhesion and proliferation increased the most on the surface of Mg-modified coating. Gene expressions of early markers of osteoblast differentiation (COL-I and ALP mRNA) were obviously improved on Zn-modified coating. Gene expressions of later markers for osteoblast differentiation (OPN and OC mRNA) and mineralized nodules formation were obviously accelerated on the surface of Sr-modified coating. Since Mg(2+), Zn(2+) and Sr(2+) play a regulatory role in different stages of osteogenesis, it may be possible to utilize this in the development of new coating materials for orthopedic application.

  6. Multi-level resistive switching behaviors and retention characteristics in ZnO/Nb:SrTiO3 heterojunction

    NASA Astrophysics Data System (ADS)

    Ren, Yong; Li, Jiachen; Zhang, Weifeng; Jia, Caihong

    2017-10-01

    Epitaxial ZnO thin films were grown on SrTiO3:Nb (NSTO) substrates by rf magnetron sputtering method. The multi-level resistance states were observed by applying different amplitudes and/or polarities of voltage pulses, which is supposed to be related to the drift of oxygen vacancies. Furthermore, the decay of retention is also corresponding to the migration of oxygen vacancies. The retention and cycle stability implies that the ZnO/Nb:SrTiO3 heterojunctions are promising for high density memory application.

  7. Luminescent properties of SrZn2(PO4)2:Tb3+ and its luminescence improvement by incorporating A+ (A=Li, Na, and K)

    NASA Astrophysics Data System (ADS)

    Li, Panlai; Wang, Zhijun; Yang, Zhiping; Guo, Qinglin

    2014-12-01

    A novel green phosphor SrZn2(PO4)2:Tb3+ is synthesized by a high temperature solid-state method, and its luminescent property is investigated. X-ray diffraction patterns of SrZn2(PO4)2:Tb3+ indicate a similarity crystalline phase to SrZn2(PO4)2. SrZn2(PO4)2:Tb3+ shows green emission under 369 nm excitation, and the prominent luminescence in green (544 nm) due to 5D4-7F5 transition of Tb3+. For the 544 nm emission, excitation spectrum has several excitation band from 200 nm to 400 nm. Emission intensity of SrZn2(PO4)2:Tb3+ is influenced by Tb3+ concentration, and concentration quenching effect of Tb3+ in SrZn2(PO4)2 is also observed. With incorporating A+ (A=Li, Na, and K) as compensator charge, the emission intensity of SrZn2(PO4)2:Tb3+ can be obviously enhanced. CIE color coordinates of SrZn2(PO4)2:Tb3+ locate in the green region. The results indicate this phosphor may be a potential application in white LEDs.

  8. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices—CCSD(T) calculations and atomic site occupancies

    NASA Astrophysics Data System (ADS)

    Davis, Barry M.; McCaffrey, John G.

    2016-01-01

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ṡ RG ground state interaction potentials. The y1P←a1S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ṡ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (<130 cm-1). All of the M ṡ RG diatomics have bond lengths considerably longer than those of the rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr2 while this transition is quenched in Ba2. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba2 indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  9. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices—CCSD(T) calculations and atomic site occupancies

    SciTech Connect

    Davis, Barry M.; McCaffrey, John G.

    2016-01-28

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y{sup 1}P←a{sup 1}S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (<130 cm{sup −1}). All of the M ⋅ RG diatomics have bond lengths considerably longer than those of the rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr{sub 2} while this transition is quenched in Ba{sub 2}. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba{sub 2} indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  10. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices--CCSD(T) calculations and atomic site occupancies.

    PubMed

    Davis, Barry M; McCaffrey, John G

    2016-01-28

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y(1)P ← a(1)S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (<130 cm(-1)). All of the M ⋅ RG diatomics have bond lengths considerably longer than those of the rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr2 while this transition is quenched in Ba2. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba2 indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  11. Enhanced microwave dielectric properties of Ba0.4Sr0.6TiO3 ceramics doping by metal Fe powders

    NASA Astrophysics Data System (ADS)

    Zhang, Qiwei; Zhai, Jiwei; Ben, Qianqian; Yu, Xian; Yao, Xi

    2012-11-01

    Ba0.4Sr0.6TiO3 ceramics by adding mental Fe powders have been fabricated via the solid-state reaction method. The microstructures and optical properties of samples are systematically studied in order to establish the effects of Fe powder additives on microwave dielectric properties of Ba0.4Sr0.6TiO3 ceramics by x-ray diffraction, x-ray photoelectron spectroscopy, and optical reflective spectrum. The results show the coexistence of Fe2+ and Fe3+ in Ba0.4Sr0.6TiO3 ceramics, the decrease of O vacancy concentrations, and their incorporation into the B-site (Ti) of the Ba0.4Sr0.6TiO3 host lattice give rise to excellent microwave dielectric properties. All samples have a higher Q value above 290 while maintaining relatively high tunability above 16.6%. In particular, the sample with the composition of x = 0.035 mol has the dielectric constant of 889, Q × f value of 826 (at 1.370 GHz), and tunability of 24%, which are very promising for high power tunable devices. In comparison, Fe2O3 oxide doped Ba0.4Sr0.6TiO3 ceramics with the same molar ratios of Fe exhibit inferior microwave properties. It indicates that additives of the metal Fe powders can more effectively improve dielectric properties of BaxSr1-xTiO3 system than Fe2O3 oxide.

  12. The crystal structure of bøgvadite (Na2SrBa2Al4F20)

    NASA Astrophysics Data System (ADS)

    Balić-Žunić, Tonči

    2014-08-01

    The crystal structure of bøgvadite, Na2SrBa2Al4F20, has been solved and refined to a R1 factor of 4.4 % from single-crystal data (Mo Kα X-ray diffraction, CCD area detector) on a sample from the cryolite deposit at Ivittuut, SW Greenland. Bøgvadite is monoclinic, P21/ n space group, with unit cell parameters a = 7.134(1), b = 19.996(3) and c = 5.3440(8) Å, β = 90.02(1)o. A close proximity of the crystal structure to an orthorhombic symmetry and the presence of the two twin components in a nearly 1:1 ratio suggest that the investigated bøgvadite crystal has originally formed as a high-temperature orthorhombic polymorph which on cooling transformed to the stable low temperature monoclinic structure. The bøgvadite crystal structure has groupings of cation-fluoride coordination polyhedra similar to those found in the crystal structures of the genetically closely associated minerals jarlite and jørgensenite. However, its structure type is different from the latter two. The fluoridoaluminate framework of bøgvadite consists of infinite zig-zag chains of cis-connected AlF6 coordination octahedra. The 1 ∞[AlF5] chains are interconnected by infinite chains of Na-F coordination polyhedra which extend in the same direction. Na is coordinated by nine F atoms if its full surrounding is taken in consideration, but makes significant chemical bonds only to closest five. The chains of AlF6 and NaF9 coordination polyhedra form double layers. In the centre of layers, relatively large voids in the form of pentagonal antiprisms are occupied by Sr atoms which make chemical bonds with the closest six F atoms. Between the SrF10 coordinations in the centre of layers run empty channels. The double layers are interconnected by Ba atoms which are coordinated by eight F atoms and fill the spaces between the layers. Bøgvadite belongs to the group of fluoridoaluminates with infinite chains of cis-connected AlF6 coordination octahedra, alike those found in the crystal structures of Ba-fluoridoaluminates.

  13. Sr7Ge6, Ba7Ge6 and Ba3Sn2 -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge π-bonding character

    NASA Astrophysics Data System (ADS)

    Siggelkow, Lisa; Hlukhyy, Viktor; Fässler, Thomas F.

    2012-07-01

    The germanides Sr7Ge6 and Ba7Ge6 as well as the stannide Ba3Sn2 were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr7Ge6 and Ba7Ge6 crystallize in the Ca7Sn6 structure type (space group Pmna, Z=4: a=7.777(2) Å, b=23.595(4) Å, c=8.563(2) Å, wR2=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr7Ge6 and a=8.0853(6) Å, b=24.545(2) Å, c=8.9782(8) Å, wR2=0.085 (all data), 2307 independent reflections, 64 variable parameters for Ba7Ge6). Ba3Sn2 crystallizes in an own structure type with the space group P43212, Z=4, a=6.6854(2) Å, c=17.842(2) Å, wR2=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr7Ge6 and Ba7Ge6 the Ge atoms are arranged as Ge2 dumbbells and Ge4 four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba3Sn2 presents Sn2 dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba3Sn2 reveals semiconducting behaviour, all germanides Ae7Ge6 (Ae=Ca, Sr, and Ba) show metallic properties and a considerable π-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The π-bonding character of the germanides is best reflected by the resonance hybrid structures {[Ge-Ge]6-/[Ge-....Ge-....Ge-....Ge]8-}↔{[Ge=Ge]4-/[Ge-Ge-Ge-Ge]10-}.

  14. Effects of Sr{sup 2+} substitution on photoluminescence characteristics of Ba{sub 1−x−y}Sr{sub y}ZrSi{sub 3}O{sub 9}:xEu{sup 2+} phosphors

    SciTech Connect

    Chiang, Chung-Hao; Gong, Syuan-Jhih; Lin, Han-Yu; Zhan, Ting-Shi; Chu, Sheng-Yuan

    2014-12-14

    In this work, single-phase Ba{sub 1−x−y}Sr{sub y}ZrSi{sub 3}O{sub 9}:xEu{sup 2+} phosphors were synthesized via the solid-state reaction method. The crystal structure and luminescence properties were investigated using X-ray diffraction and photoluminescence measurements, respectively. An increase of the dopant Sr{sup 2+} increased the emission intensity of the phosphors. The peak intensity of the samples was at y = 0.4 under near-ultraviolet light excitation (397 nm). The wavelength of the emission peaks red-shifts slightly from 477 to 483 nm due to the splitting of the 5d energy level. Sr{sup 2+} ions have a smaller ionic radius than that of Ba{sup 2+} ions, and thus the dopant changes the crystal structure, improving the energy transfer efficiency between luminescence centers. More Eu{sup 2+} solid solubility was found in Ba{sub 0.6−x}Sr{sub 0.4}ZrSi{sub 3}O{sub 9}:xEu{sup 2+} phosphors (10 mol. %) than in the host BaZrSi{sub 3}O{sub 9} (6 mol. %), which enhanced the emission intensity. In addition, the thermal reliability of the phosphors was studied.

  15. Biological responses of human bone marrow mesenchymal stem cells to Sr-M-Si (M = Zn, Mg) silicate bioceramics.

    PubMed

    Zhang, Meili; Wu, Chengtie; Lin, Kaili; Fan, Wei; Chen, Lei; Xiao, Yin; Chang, Jiang

    2012-11-01

    Strontium (Sr), Zinc (Zn), magnesium (Mg), and silicon (Si) are reported to be essential trace elements for the growth and mineralization of bone. We speculated that the combination of these bioactive elements in bioceramics may be effective to regulate the osteogenic property of bone-forming cells. In this study, two Sr-containing silicate bioceramics, Sr(2)ZnSi(2)O(7) (SZS) and Sr(2)MgSi(2)O(7) (SMS), were prepared. The biological response of human bone marrow mesenchymal stem cells (BMSCs) to the two bioceramics (in the forms of powders and dense ceramic bulks) was systematically studied. In powder form, the effect of powder extracts on the viability and alkaline phosphatase (ALP) activity of BMSCs was investigated. In ceramic disc form, both direct and indirect coculture of BMSCs with ceramic discs were used to investigate their biological response, including attachment, proliferation, ALP activity, and bone-related genes expression. Beta-tricalcium phosphate (β-TCP) and akermanite (Ca(2)MgSi(2)O(7), CMS) were used as control materials. The results showed that the Sr, Zn, and Si (or Sr, Mg, and Si)-containing ionic products from SZS and SMS powders enhanced ALP activity of BMSCs, compared to those from β-TCP. Both SZS and SMS ceramic discs supported the growth of BMSCs, and most importantly, significantly enhanced the ALP activity and bone-related genes expression of BMSCs as compared to β-TCP. The results suggest that the specific combination of bioactive ions (Sr, Zn, Si, e.g.) in bioceramics is a viable way to improve the biological performance of biomaterials, and the form of materials and surface properties were nonnegligible factors to influence cell response.

  16. Crystallite size characterization and magnetism properties of composite (BaFe12O19)1-X-(SrTiO3)X

    NASA Astrophysics Data System (ADS)

    Novizal, Manaf, Azwar; Doni, Rahmad

    2013-09-01

    A study conducted on the magnetic properties of composite material made of two materials i.e. BaFe12O19 (Barium Hexaferrite) and SrTiO3 (Strontium Titanate) using mechanical Alloy method. Composition proportion refers to the equation (BaFe12O19)1-X(SrTiO3)X X=20%, 50%,and 80% wt. Each BaFe12O19 material produced from base material of BaCO3 and Fe2O3 powder, SrTiO3 produced from mixture of SrCO3 and TiO2 powder. Each material are milled for 80 hours, of which on interval 20 hours, powder is extracted for particle measurement only for X=20 % wt composition, the X=50% wt and 80 % wt compositions are not measured. Next the material was made into bulk with 70 kN pressure die, and sintered at temperature of 1100°C for 4 hours, characterized with XRD, then magnetic character is measured with fermagraph.

  17. A New Ba0.6 Sr0.4 TiO3 -Silicon Hybrid Metamaterial Device in Terahertz Regime.

    PubMed

    Wu, Liang; Du, Ting; Xu, Ningning; Ding, Chunfeng; Li, Hui; Sheng, Quan; Liu, Ming; Yao, Jianquan; Wang, Zhiyong; Lou, Xiaojie; Zhang, Weili

    2016-05-01

    Metamaterials, offering unprecedented functionalities to manipulate electromagnetic waves, have become a research hotspot in recent years. Through the incorporation of active media, the exotic electromagnetic behavior of metamaterials can be dramatically empowered by dynamic control. Many ferroelectric materials such as BaSrTiO3 (abbreviated as BST), exhibiting strong response to external electric field, hold great promise in both microwave and terahertz tunable devices. A new active Ba0.6 Sr0.4 TiO3 -silicon hybrid metamaterial device, namely, a SRR (square split-ring resonator)-BaSrTiO3 thin film-silicon three-layer structure is fabricated and intensively studied. The active Ba0.6 Sr0.4 TiO3 thin film hybrid metamaterial, with nanoscale thickness, delivers a transmission contrast up to ≈79% due to electrically enabled carrier transport between the ferroelectric thin film and silicon substrate. This work has significantly increased the low modulation rate of ferroelectric based devices in terahertz range, a major problem in this field remaining unresolved for many years. The proposed BST metamaterial is promising in developing high-performance real world photonic devices for terahertz technology.

  18. Toward Complete Isotopic Analysis of Individual Presolar Silicon Carbide Grains: C, N, Si, Sr, Zr, Mo, and Ba in Single Grains of Type X

    NASA Technical Reports Server (NTRS)

    Pellin, M. J.; Calaway, W. F.; Davis, A. M.; Lewis, R. S.; Amari, S.; Clayton, R. N.

    2000-01-01

    The isotopic compositions of Sr, Ba, Zr and Mo in single presolar SiC grains from supernovae are different from those expected from either of the dominant heavy element neutron capture nucleosynthesis mechanisms, the s-process and the r-process.

  19. In vitro synthesis of amorphous Mg-, Ca-, Sr- and Ba-carbonates: What do we learn about intracellular calcification by cyanobacteria?

    NASA Astrophysics Data System (ADS)

    Cam, N.; Georgelin, T.; Jaber, M.; Lambert, J.-F.; Benzerara, K.

    2015-07-01

    Some cyanobacteria, including Candidatus Gloeomargarita lithophora, which was isolated from Lake Alchichica (Mexico), can form intracellular carbonates. This contradicts the common paradigm that cyanobacterial calcification is always extracellular and suggests that calcification might be controlled by these cyanobacterial species. Intracellular carbonates have several peculiar characteristics: they are relatively small (between 60 and 500 nm), they are poorly crystalline, and they have Sr/Ca and Ba/Ca ratios much higher than the solution in which the cells grow. It is therefore crucial to understand whether these unique features may indicate the involvement of specific biological processes. Here, in vitro abiotic syntheses were performed to synthesize Mg-, Ca-, Sr- and Ba-containing carbonates with compositions, crystallinities and sizes close to those observed in intracellularly calcifying cyanobacteria. Precipitates were characterized by scanning and transmission electron microscopies coupled with energy dispersive X-ray spectroscopy, thermogravimetric analysis and X-ray diffraction. The size and the poor crystallinity of cyanobacterial intracellular carbonates could be mimicked under these abiotic conditions. It was shown that similarly to Mg, elements such as Sr and Ba can favor stabilization of poorly crystalline carbonates. In contrast, the differential partitioning of Sr, Ba and Ca between the solution and the solids as observed in cyanobacteria could not be mimicked in vitro. This provides keys to a better understanding of biological processes involved in the formation of intracellular carbonates by some cyanobacteria, including the involvement of membrane transporters.

  20. White-light-emitting diodes based on Ba2+ co-doped Sr3SiO5: Ce3+, Li+ phosphor

    NASA Astrophysics Data System (ADS)

    Shen, Changyu; Li, Ke; Yang, Yi

    2009-11-01

    A yellow-orange-emitting Ba2+ codoped Sr3SiO5: Ce3+, Li+ phosphor was prepared by high-temperature solid-state reaction. Through transitions of 5d-->4f in Ce3+, the phosphor showed a very broad and strong yellow emission under near ultraviolet (UV) or blue light excitation. The shifts of the emission band to longer wavelength (yellow-orange) of the Sr3SiO5: Ce3+, Li+ yellow phosphor under the 450-470 nm excitation range have been achieved by adding the element Ba2+ in the Sr3SiO5 host. White light could be obtained by combining this phosphor with 460nm light-emitting diodes. As the concentrations of the Ba2+, Ce3+ and Li+ ions in the phosphor were 0.35mol, 0.024mol and 0.024mol respectively, the InGaN-based Ba2+ codoped Sr3SiO5: Ce3+, Li+ LED presented intense white emitting and good color rendering of 88.

  1. Blockage of domain growth by nanoscale heterogeneities in a relaxor ferroelectric Sr0.61Ba0.39Nb2O6

    NASA Astrophysics Data System (ADS)

    Pertsev, N. A.; Gainutdinov, R. V.; Bodnarchuk, Ya. V.; Volk, T. R.

    2015-01-01

    The growth of localized subsurface domains in a relaxor ferroelectric Sr0.61Ba0.39Nb2O6 is studied using the technique of piezoresponse force microscopy (PFM). Ferroelectric domains are created by applying moderate voltages of 10-50 V to the conductive tip of a scanning force microscope brought into contact with a nonpolar face of a Sr0.61Ba0.39Nb2O6 crystal. PFM images of written domains are acquired and analyzed quantitatively to determine the domain length along the polar axis and its width in the transverse direction. The dependences of domain sizes on the applied voltage, pulse duration, and the time passed after completion of the voltage pulse are reported and analyzed theoretically. It is shown that the observed kinetics of domain growth can be explained by the creep of domain boundaries occurring in the presence of random electric fields inherent in Sr0.61Ba0.39Nb2O6. The comparison of measured domain sizes with their equilibrium values calculated with the aid of the thermodynamic theory demonstrates that the growth of subsurface domains in Sr0.61Ba0.39Nb2O6 is blocked by nanoscale heterogeneities characteristic of this relaxor ferroelectric. These results may have important implications for the development of nonlinear optical devices based on nanoheterogeneous ferroelectrics.

  2. (1 - x)(Bi,Na)TiO3- x (Ba,Sr)TiO3 lead-free piezoelectric ceramics for piezoelectric energy harvesting

    NASA Astrophysics Data System (ADS)

    Kwon, Young-Hoon; Shin, Dong-Jin; Koh, Jung-Hyuk

    2015-04-01

    Lead-free piezoelectric (1 - x)(Bi0.5Na0.5)TiO3- x (Ba0.5Sr0.5)TiO3 ( x = 0, 0.03, 0.06, 0.08, 0.12) ceramics were fabricated by using a conventional ceramic sintering method. The piezoelectric properties of (1 - x)(Bi0.5Na0.5)TiO3- x (Ba0.5Sr0.5)TiO3 lead-free ceramics were investigated. The crystallinity and the microstructure of (1 - x)(Bi0.5Na0.5)TiO3- x (Ba0.5Sr0.5)TiO3 ceramics were observed employing X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The morphotropic phase boundary (MPB) of the rhombohedral and the tetragonal phases was detected at x = 0.08 by using the XRD patterns. In addition, the piezoelectric and the dielectric properties of (1 - x)(Bi0.5Na0.5)TiO3- x (Ba0.5Sr0.5)TiO3 were characterized. A piezoelectric coefficient d33 of 118 pC/N, an electromechanical coupling factor k p of 35.17%, a generated output power of 17.15 nW, and a figure of merit of 2.85 pm2/N were obtained.

  3. Synthesis, crystal structures, and magnetic properties of double perovskites SrLaNiOsO6 and BaLaNiOsO6

    NASA Astrophysics Data System (ADS)

    Feng, Hai L.; Schnelle, Walter; Tjeng, Liu Hao; Jansen, Martin

    2016-10-01

    New double perovskite oxides SrLaNiOsO6 and BaLaNiOsO6 were synthesized by solid state reactions from the respective binary metal oxides, and their crystal structures and magnetic properties were characterized. At room temperature SrLaNiOsO6 and BaLaNiOsO6 crystallize in ordered double perovskite structures with space groups of P21/n (monoclinic) and I4/m (tetragonal), respectively. They are electrically semiconducting with an activation energy of ≈0.35 eV. Specific heat and magnetic measurements indicate that SrLaNiOsO6 shows predominantly antiferromagnetic correlations and displays antiferromagnetic transition around 60 K. However, for the isoelectronic BaLaNiOsO6 ferromagnetic correlations are predominant and there is no clear feature of a magnetic transition detectable. The remarkable change in magnetic properties of ALaNiOsO6 (A = Sr and Ba) can be related to the degree of structure distortions, i.e. the bending of the O-B-O (B = Ni,Os) links.

  4. Theoretical Calculations of Mechanical, Electronic, and Chemical Bonding in CaN2, SrN2, and BaN2

    NASA Astrophysics Data System (ADS)

    Zhang, Li-Qin; Cheng, Yan; Niu, Zhen-Wei; Piao, Chang-Ge; Ji, Guang-Fu

    2014-12-01

    We present a first-principles density functional theory-based study about the impact of pressure on the structural and elastic properties of bulk CaN2, SrN2, and BaN2. Non-spin and spin polarized calculations indicate that the non-spin polarized ground state was more favourable with magnetic moments of 1.049 μB, 1.059 μB, and 1.014 μB for CaN2, SrN2, and BaN2, respectively, and these were in good agreement with previous experimental and theoretical data. The high bulk modulus of CaN2, SrN2, and BaN2 confirm that those compounds have low compressibility and high hardness. The obtained bulk modulus, N-N bond length, and optimized structure parameters are similar to those from previous studies.With an increase in applied pressure the independent elastic constants of CaN2, SrN2, and BaN2 indicated the presence of mechanical instability at 20, 15, and 10 GPa, which is possibly related to phase transitions in addition to a decrease in N-N bond length.

  5. The effect of diameter ratio between transducers and reactor in sonication-assisted synthesis of Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3} nanoparticles

    SciTech Connect

    Manaf, A. Fahmi, Agam Aidil; Yustanti, Erlina

    2016-04-19

    This paper describes the particle size characterization of mechanically alloyed Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3} prepared with the aid of a high-power ultrasonic destruction. Analytical-grade BaCO{sub 3}, TiO{sub 2} and SrCO{sub 3} with a purity greater than 99 wt.% were used as precursors for Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3}. The mechanically powders were respectively sintered at 1200 °C for 3 hours to form crystalline powders. This work is aimed at studying the effect of diameter ratio between reactor and transducer of a high power sonicator on the Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3} nanoparticles formation. The presence of a single phase of the two materials was confirmed by X-Ray Diffraction (XRD). The concentration of the particles in demineralized water was 3.0 g / 100 mL which become the object of 3 hours ultrasonic destruction subjected to the application of transducer in which the ratio between the diameter of the reactor and the transducer (D/d) was fixed at 1.4, 1.6 and 1.8 respectively. It was found that the mean particle size before the ultrasonic destruction was 538 nm for Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and 480 nm for Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3}. With D/d of 1.8, the mean particle size of the two materials was found to decrease drastically to 38 nm and 24 nm, respectively. These mean particle sizes were respectively comparable with that of the crystallite size of the particles derived using the Whole Powder Pattern Modelling (WPPM) from which the mean crystallite size of 22 nm for Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and 14 nm for Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3} were obtained. It is then confirmed single nanocrystallite Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Ba{sub 0.3}Sr{sub 0.7}TiO{sub 3} particles were already achieved. We can conclude that the ultrasonic destruction to mechanically milled crystalline particles would be one

  6. SrAgZn and EuAgZn with KHg{sub 2}-type structure—Structure, magnetic properties, and {sup 151}Eu Mössbauer spectroscopy

    SciTech Connect

    Gerke, Birgit; Rodewald, Ute Ch.; Niehaus, Oliver; Pöttgen, Rainer

    2013-07-15

    Samples of SrAgZn and EuAgZn were synthesized by reaction of the elements in sealed tantalum crucibles. Both structures were refined on the basis of single crystal X-ray diffractometer data: KHg{sub 2}-type, Imma, a=476.7(1), b=780.9(2), c=810.1(2) pm, R{sub 1}/wR{sub 2}=0.0189/0.0119, 381 F² values for SrAg{sub 1.12}Zn{sub 0.88} and a=474.43(9), b=760.8(2), c=799.0(2) pm, R{sub 1}/wR{sub 2}=0.0226/0.0483, 370 F² values for EuAg{sub 1.17}Zn{sub 0.83} with 13 variables per refinement. Silver and zinc are randomly distributed on the Hg position and build up three-dimensional networks. EuAgZn shows ferromagnetic ordering at 29(1) K. In the temperature range from 75 to 300 K the sample shows Curie–Weiss behaviour with μ{sub eff}=7.87(1) μ{sub B}/Eu atom and θ{sub P}=37.1(1) K, indicating divalent europium. {sup 151}Eu Mössbauer spectroscopic measurements confirmed the divalent state with an isomer shift of −9.31 mm/s at 78 K. Temperature dependent {sup 151}Eu data show first magnetic hyperfine field splitting at 25 K and a saturated magnetization of 17 T at 5.2 K. The temperature dependence can be described by an S=7/2 Brillouin function. - Graphical abstract: The near neighbor coordination of the strontium and europium atoms in SrAg{sub 1.12}Zn{sub 0.88}, EuAg{sub 1.17}Zn{sub 0.83}, and EuAuZn. - Highlights: • Synthesis of new intermetallic zinc compounds SrAgZn and EuAgZn. • Ferromagnetic ordering of EuAgZn at 29 K. • Magnetic hyperfine field splitting in the {sup 151}Eu Mössbauer spectrum.

  7. Heterojunction band offsets and dipole formation at BaTiO{sub 3}/SrTiO{sub 3} interfaces

    SciTech Connect

    Balaz, Snjezana; Zeng, Zhaoquan; Brillson, Leonard J.

    2013-11-14

    We used a complement of photoemission and cathodoluminescence techniques to measure formation of the BaTiO{sub 3} (BTO) on SrTiO{sub 3} (STO) heterojunction band offset grown monolayer by monolayer by molecular beam epitaxy. X-ray photoemission spectroscopy (XPS) provided core level and valence band edge energies to monitor the valence band offset in-situ as the first few crystalline BTO monolayers formed on the STO substrate. Ultraviolet photoemission spectroscopy (UPS) measured Fermi level positions within the band gap, work functions, and ionization potentials of the growing BTO film. Depth-resolved cathodoluminescence spectroscopy measured energies and densities of interface states at the buried heterojunction. Kraut-based XPS heterojunction band offsets provided evidence for STO/BTO heterojunction linearity, i.e., commutativity and transitivity. In contrast, UPS and XPS revealed a large dipole associated either with local charge transfer or strain-induced polarization within the BTO epilayer.

  8. LETTER TO THE EDITOR: Collective modes of tri-nuclear molecules of the type 96Sr+ 10Be+ 146Ba

    NASA Astrophysics Data System (ADS)

    Hess, P. O.; Scheid, W.; Greiner, W.; Hamilton, J. H.

    1999-12-01

    The collective modes of the tri-nuclear molecule 96Sr+ 10Be+ 146Ba, observed in recent cold fission decay of 252Cf into three clusters, are theoretically investigated. The main excitations are rotations, the butterfly and belly-dancer modes and icons/Journals/Common/beta" ALT="beta" ALIGN="TOP"/>- and icons/Journals/Common/gamma" ALT="gamma" ALIGN="TOP"/>-vibrations. Due to the presence of the Be nucleus, butterfly excitation energies are shifted up to 2 MeV. There are only a few collective states below 1 MeV which are not rotational. The first rotational level of spin 2+ lies at an energy of about 6 keV. Proposals of how these collective modes may be measured are suggested.

  9. Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi3 (A = Sr and Ba)

    NASA Astrophysics Data System (ADS)

    Shao, D. F.; Luo, X.; Lu, W. J.; Hu, L.; Zhu, X. D.; Song, W. H.; Zhu, X. B.; Sun, Y. P.

    2016-02-01

    Recently, Bi-based compounds have attracted attentions because of the strong spin-orbit coupling (SOC). In this work, we figured out the role of SOC in ABi3 (A = Sr and Ba) by theoretical investigation of the band structures, phonon properties, and electron-phonon coupling. Without SOC, strong Fermi surface nesting leads to phonon instabilities in ABi3. SOC suppresses the nesting and stabilizes the structure. Moreover, without SOC the calculation largely underestimates the superconducting transition temperatures (Tc), while with SOC the calculated Tc are very close to those determined by measurements on single crystal samples. The SOC enhanced superconductivity in ABi3 is due to not only the SOC induced phonon softening, but also the SOC related increase of electron-phonon coupling matrix elements. ABi3 can be potential platforms to construct heterostructure of superconductor/topological insulator to realize topological superconductivity.

  10. Spin-orbit coupling enhanced superconductivity in Bi-rich compounds ABi₃ (A = Sr and Ba).

    PubMed

    Shao, D F; Luo, X; Lu, W J; Hu, L; Zhu, X D; Song, W H; Zhu, X B; Sun, Y P

    2016-02-19

    Recently, Bi-based compounds have attracted attentions because of the strong spin-orbit coupling (SOC). In this work, we figured out the role of SOC in ABi3 (A = Sr and Ba) by theoretical investigation of the band structures, phonon properties, and electron-phonon coupling. Without SOC, strong Fermi surface nesting leads to phonon instabilities in ABi3. SOC suppresses the nesting and stabilizes the structure. Moreover, without SOC the calculation largely underestimates the superconducting transition temperatures (Tc), while with SOC the calculated Tc are very close to those determined by measurements on single crystal samples. The SOC enhanced superconductivity in ABi3 is due to not only the SOC induced phonon softening, but also the SOC related increase of electron-phonon coupling matrix elements. ABi3 can be potential platforms to construct heterostructure of superconductor/topological insulator to realize topological superconductivity.

  11. The photo-catalytic activities of MP (M = Ba, Ca, Cu, Sr, Ag; P = PO43-, HPO42-) microparticles

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Shi, Yuanji; Zhao, Zongshan; Song, Weijie; Cheng, Yang

    2014-02-01

    For the good performance of apatite-based materials in the removal of dyes and their environment-friendly advantage, five kinds of apatite microparticles of MP (M = Ba, Ca, Cu, Sr, Ag; P = PO43-, HPO42-) were synthesized by a simple precipitation method and their photo-catalytic properties were invested. Better performance in the decolorization of methyl orange (MO) under the assistance of H2O2 than that of TiO2 were obtained for all the MPs. The photo-catalytic activity was mainly affected by surface area, energy band, impurity, crystallinity and crystal structure. The DFT calculation results demonstrated that the 2p of O and 3p of P in PO43- played the main role in the photo-catalytic process. This work would be helpful to design and synthesize low cost apatite materials with good photo-catalytic performance.

  12. Optical and spectral studies on pure and europium doped olgite type Na(Sr,Ba)PO4 ceramics.

    PubMed

    Jawaher, K Rackesh; Jagannathan, R; Das, S Jerome; Krishnan, S

    2015-04-05

    Europium ion doped olgite type Na(Sr,Ba)PO4 ceramics, a new generation of light emitting bulb, was prepared by a high temperature solid-state reaction method. The synthesized materials were subjected to various characterizations such as X-ray powder diffraction, Scanning electron microscopy and FT-IR spectra measurements. The EPR spectrum of the sample exhibits a well-resolved hyperfine structure of 151Eu2+ and 153Eu2+ isotopes and the g value has been calculated. Fluorescence spectra revealed that europium ions were present in divalent as well as in the trivalent oxidation states. The critical distance for energy transfer between Eu2+ and Eu2+ ion is calculated as 20Å, which is in good agreement with that of experimental data. The FTIR analysis reveals all the vibrations of PO4(3-) ions.

  13. Optical and spectral studies on pure and europium doped olgite type Na(Sr,Ba)PO4 ceramics

    NASA Astrophysics Data System (ADS)

    Jawaher, K. Rackesh; Jagannathan, R.; Das, S. Jerome; Krishnan, S.

    2015-04-01

    Europium ion doped olgite type Na(Sr,Ba)PO4 ceramics, a new generation of light emitting bulb, was prepared by a high temperature solid-state reaction method. The synthesized materials were subjected to various characterizations such as X-ray powder diffraction, Scanning electron microscopy and FT-IR spectra measurements. The EPR spectrum of the sample exhibits a well-resolved hyperfine structure of 151Eu2+ and 153Eu2+ isotopes and the g value has been calculated. Fluorescence spectra revealed that europium ions were present in divalent as well as in the trivalent oxidation states. The critical distance for energy transfer between Eu2+ and Eu2+ ion is calculated as 20 Å, which is in good agreement with that of experimental data. The FTIR analysis reveals all the vibrations of PO43- ions.

  14. Unconventional Electronic Reconstruction in Undoped (Ba,Sr)Fe2As2 Across the Spin Density Wave Transition

    SciTech Connect

    Yi, M.

    2010-06-02

    Through a systematic high-resolution angle-resolved photoemission study of the iron pnictide compounds (Ba,Sr)Fe{sub 2}As{sub 2}, we show that the electronic structures of these compounds are significantly reconstructed across the spin density wave transition, which cannot be described by a simple folding scenario of conventional density wave ordering. Moreover, we find that LDA calculations with an incorporated suppressed magnetic moment of 0.5{mu}{sub B} can match well the details in the reconstructed electronic structure, suggesting that the nature of magnetism in the pnictides is more itinerant than local, while the origin of suppressed magnetic moment remains an important issue for future investigations.

  15. First-Principles Prediction of Two-Dimensional Electron Gas Driven by Polarization Discontinuity in Nonpolar/Nonpolar AHfO3/SrTiO3 (A = Ca, Sr, and Ba) Heterostructures.

    PubMed

    Cheng, Jianli; Nazir, Safdar; Yang, Kesong

    2016-11-23

    By using first-principles electronic structure calculations, we explored the possibility of producing two-dimensional electron gas (2DEG) in nonpolar/nonpolar AHfO3/SrTiO3 (A = Ca, Sr, and Ba) heterostructures. Two types of nonpolar/nonpolar interfaces, (AO)(0)/(TiO2)(0) and (HfO2)(0)/(SrO)(0), each with AO and HfO2 surface terminations, are modeled, respectively. The polarization domain and resulting interfacial electronic property are found to be more sensitive to the surface termination of the film rather than the interface model. As film thickness increases, an insulator-to-metal transition is found in all the heterostructures with HfO2 surface termination: for (AO)(0)/(TiO2)(0) interfaces, predicted critical film thickness for an insulator-to-metal transition is about 7, 6, and 3 unit cells for CaHfO3/SrTiO3, SrHfO3/SrTiO3, and BaHfO3/SrTiO3, respectively; for (HfO2)(0)/(SrO)(0) interfaces, the critical film thickness is about 7.5, 5.5, and 4.5 unit cells, respectively. In contrast, for the heterostructures with AO surface termination, CaHfO3/SrTiO3 exhibits a much larger critical film thickness about 11-12 unit cells for an insulator-to-metal transition; while SrHfO3/SrTiO3 and BaHfO3/SrTiO3 do not show any polarization behavior even film thickness increases up to 20 unit cells. The strain-induced polarization behavior was well-elucidated from energy versus polarization profile. This work is expected to stimulate further experimental investigation to the interfacial conductivity in the nonpolar/nonpolar AHfO3/SrTiO3 HS.

  16. Microwave loss mechanisms in Ba0.25Sr0.75TiO3 thin film varactors

    NASA Astrophysics Data System (ADS)

    Vorobiev, A.; Rundqvist, P.; Khamchane, K.; Gevorgian, S.

    2004-10-01

    Parallel-plate Au(Pt )/Ba0.25Sr0.75TiO3/(Pt)Au thin film varactors were fabricated on high resistance Si substrates and characterized at dc, rf, and microwave frequencies. In the frequency range 10-45 GHz the varactors show relatively low losses, with loss tangent less than 0.025 at 45 GHz. Due to the thick and highly conductive Pt/Au electrodes the metal losses are less than 10%. However, the loss tangent of the ferroelectric film is still three to five times higher than that in Ba0.27Sr0.73TiO3 single crystal. The analysis of the dc field dependences of loss tangent and permittivity in a wide frequency range shows that these additional losses are mainly due to the charged defects. Extrapolation of measured low frequency (1 MHz) loss tangents to the microwave region using the power law ω1/3 is in good agreement with experiment. The dc current through the varactor is found to be controlled by Schottky emission and Poole-Frenkel mechanisms depending on the polarity. The Poole-Frenkel mode is associated with field enhanced thermal excitation of charge carriers from internal traps. The trap activation energy (about 0.15 eV) determined from the Poole-Frenkel mode agrees well with the energy level of the oxygen vacancy. We assume that the oxygen vacancies within the grain boundaries of the ferroelectric film act as charged defects and cause additional (extrinsic) microwave losses. The possible correlation between the film's internal strains and density of the oxygen vacancies are discussed. The knowledge of the extrinsic loss mechanism and corresponding microstructure defects is useful in optimization of the varactor design, deposition, annealing process, and further improvement of the varactor performance.

  17. Synthesis, crystal structure refinement, electrical and magnetic properties of BaV{sub 13}O{sub 18} and SrV{sub 13}O{sub 18}

    SciTech Connect

    Iwasaki, Kouta; Takizawa, Hirotsugu; Yamane, Hisanori; Kubota, Shunichi; Takahashi, Junichi; Uheda, Kyota; Endo, Tadashi

    2003-01-01

    Polycrystalline samples of BaV{sub 13}O{sub 18} and SrV{sub 13}O{sub 18} were prepared by solid-state reaction of BaCO{sub 3}, SrCO{sub 3}, V{sub 2}O{sub 5} and V at 1773-2073 K in flowing Ar. The crystal structures of BaV{sub 13}O{sub 18} (R-3, a{sub h}=12.6293(10) A, c{sub h}=7.0121(4) A) and SrV{sub 13}O{sub 18} (a{sub h}=12.5491(7) A, c{sub h}=6.9878(3) A) were refined by the Rietveld method using X-ray diffraction data. BaV{sub 13}O{sub 18} exhibited semiconducting behavior with electrical resistivity from 5.8x10{sup -3} to 2.7x10{sup -3} {omega} cm at 100-300 K. Electrical resistivity of SrV{sub 13}O{sub 18} ranged from 1.5x10{sup -3} to 1.8x10{sup -3} {omega} cm, and it increased slightly up to around 250 K and decreased above 250 K with increasing temperature. Negative Seebeck coefficients of both compounds at 100-300 K indicated that electron was the dominant carrier. BaV{sub 13}O{sub 18} and SrV{sub 13}O{sub 18} showed paramagnetism with the effective magnetic moment of 0.11{mu}{sub B} and 0.15{mu}{sub B}, respectively, at 10-100 K.

  18. Influence of Co-substitution on the structural and magnetic properties of nanocrystalline Ba0.5Sr0.5Fe12O19

    NASA Astrophysics Data System (ADS)

    Ezhil Vizhi, R.; Harikrishnan, V.; Saravanan, P.; Rajan Babu, D.

    2016-10-01

    One-step citrate gel combustion method followed by annealing (800 °C/2 h) was employed to synthesize cobalt substituted barium strontium hexaferrite with a chemical composition of Ba0.5Sr0.5Fe12-xCoxO19 (x=0, 0.5, 0.7, and 0.9). A combination of thermo-gravimetric analysis and differential scanning calorimetry was employed to understand the thermo-chemical behavior of Ba0.5Sr0.5Fe12O19. X-ray diffraction (XRD) was used to evaluate the hexagonal phase evolution for the barium strontium ferrite nanopowders and a formation of secondary phase: α-Fe2O3 is evident for the Ba0.5Sr0.5Fe12O19. Raman spectroscopy confirmed the presence of different sublattices of Fe3+ present in the hexaferrite structure. Fourier transform infrared spectroscopy demonstrated the usual stretching vibrations of tetrahedral and octahedral M-O bands. The morphology and chemical composition of the samples were analyzed by transmission electron microscopy and field emission scanning electron microscopy attached with energy dispersive X-ray analysis, respectively. Selected area electron diffraction studies showed the nanocrystalline nature of the samples. The magnetic parameters such as saturation magnetization MS, coercivity, HC and remanent magnetization, MR were estimated from the hysteresis loops. Maximum value of MS (70.5 emu/g) was obtained for the Ba0.5Sr0.5Fe11.5Co0.5O19 nanoparticles. A possible growth mechanism on the crystallization of Ba0.5Sr0.5Fe12O19 hexagonal platelets during the citrate gel combustion synthesis is highlighted.

  19. Exchange bias in Ba0.4Sr0.6TiO3/La0.7Sr0.3MnO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Singamaneni, Srinivasa Rao; Prater, John T.; Narayan, Jagdish

    2017-05-01

    This work relates to the integration of the two-layer stack of the proposed multiferroic structure onto silicon substrates. Ba1-xSrxTiO3 is an excellent material for room-temperature voltage-tunable dielectric applications due to its high (ɛ=6000) dielectric constant. In this study we choose a composition of Ba0.4Sr0.6TiO3 (BST), which is cubic and paraelectric at 300K, and transforms to a ferroelectric tetragonal phase upon cooling through the Curie temperature (TC) at 200K. The main focus of the present work is to study what happens when BST is placed in contact with a room temperature ferromagnetic layer such as La0.7Sr0.3MnO3 (LSMO). In this study, the magnetic properties of a BST (200nm)/LSMO (63nm) heterostructure was compared to that of a single LSMO layer (63nm). Both films were deposited onto MgO/TiN buffered Si (100) using pulsed laser deposition (PLD) and a domain matching epitaxy (DME) paradigm. X-ray diffraction (XRD) measurements showed that these films were of single phase and epitaxial in nature, with an unrelaxed lattice strain of ˜0.2% that was predominately composed of thermal and defect-induced strain. The magnetic measurements showed that the Curie temperature (TC) of LSMO remained unchanged at 350K when the BST was in contact with the LSMO layer. Interestingly, at 4K both the coercive field (Hc) and the exchange bias (HEB) of the BST/LSMO heterostructure as compared to the lone LSMO film increased significantly from 400 to 800 Oe and from 155 to 305 Oe, respectively. These differences were found to disappear above 200 K, the ferroelectric TC of the BST over-layer. This strongly suggests that the observed changes in the magnetic behavior of the heterostructure was the result of stress and/or charge redistributions that resulted when the BST layer transformed from the cubic (paraelectric) to tetragonal (ferroelectric) phase at low temperature.

  20. The role of Sr2+ on the structure and reactivity of SrO-CaO-ZnO-SiO2 ionomer glasses.

    PubMed

    Boyd, Daniel; Towler, Mark R; Watts, Sally; Hill, Robert G; Wren, Anthony W; Clarkin, Owen M

    2008-02-01

    The suitability of Glass Polyalkenoate Cements (GPCs) for use in orthopaedics is retarded by the presence in the glass phase of aluminium, a neurotoxin. Unfortunately, the aluminium ion plays an integral role in the setting process of GPCs and its absence is likely to hinder cement formation. However, the authors have previously shown that aluminium free GPCs may be formulated based on calcium zinc silicate glasses and these novel materials exhibit significant potential as hard tissue biomaterials. To further improve their potential, and given that Strontium (Sr) based drugs have had success in the treatment of osteoporosis, the authors have substituted Calcium (Ca) with Sr in the glass phase of a series of aluminium free GPCs. However to date little data exists on the effect SrO has on the structure and reactivity of SrO-CaO-ZnO-SiO(2) glasses. The objective of this work was to characterise the effect of the Ca/Sr substitution on the structure of such glasses, and evaluate the subsequent reactivity of these glasses with an aqueous solution of Polyacrylic acid (PAA). To this end (29)Si MAS-NMR, differential scanning calorimetry (DSC), X-ray diffraction, and network connectivity calculations, were used to characterize the structure of four strontium calcium zinc silicate glasses. Following glass characterization, GPCs were produced from each glass using a 40 wt% solution of PAA (powder:liquid = 2:1.5). The working times and setting times of the GPCs were recorded as per International standard ISO9917. The results acquired as part of this research indicate that the substitution of Ca for Sr in the glasses examined did not appear to significantly affect the structure of the glasses investigated. However it was noted that increasing the amount of Ca substituted for Sr did result in a concomitant increase in setting times, a feature that may be attributable to the higher basicity of SrO over CaO.

  1. Uniaxial ferroelectric quantum criticality in multiferroic hexaferrites BaFe12O19 and SrFe12O19

    PubMed Central

    Rowley, S. E.; Chai, Yi-Sheng; Shen, Shi-Peng; Sun, Young; Jones, A. T.; Watts, B. E.; Scott, J. F.

    2016-01-01

    BaFe12O19 is a popular M-type hexaferrite with a Néel temperature of 720 K and is of enormous commercial value ($3 billion/year). It is an incipient ferroelectric with an expected ferroelectric phase transition extrapolated to lie at 6 K but suppressed due to quantum fluctuations. The theory of quantum criticality for such uniaxial ferroelectrics predicts that the temperature dependence of the electric susceptibility χ diverges as 1/T3, in contrast to the 1/T2 dependence found in pseudo-cubic materials such as SrTiO3 or KTaO3. In this paper we present evidence of the susceptibility varying as 1/T3, i.e. with a critical exponent γ = 3. In general γ = (d + z – 2)/z, where the dynamical exponent for a ferroelectric z = 1 and the dimension is increased by 1 from deff = 3 + z to deff = 4 + z due to the effect of long-range dipole interactions in uniaxial as opposed to multiaxial ferroelectrics. The electric susceptibility of the incipient ferroelectric SrFe12O19, which is slightly further from the quantum phase transition is also found to vary as 1/T3. PMID:27185343

  2. Uniaxial ferroelectric quantum criticality in multiferroic hexaferrites BaFe12O19 and SrFe12O19

    NASA Astrophysics Data System (ADS)

    Rowley, S. E.; Chai, Yi-Sheng; Shen, Shi-Peng; Sun, Young; Jones, A. T.; Watts, B. E.; Scott, J. F.

    2016-05-01

    BaFe12O19 is a popular M-type hexaferrite with a Néel temperature of 720 K and is of enormous commercial value ($3 billion/year). It is an incipient ferroelectric with an expected ferroelectric phase transition extrapolated to lie at 6 K but suppressed due to quantum fluctuations. The theory of quantum criticality for such uniaxial ferroelectrics predicts that the temperature dependence of the electric susceptibility χ diverges as 1/T3, in contrast to the 1/T2 dependence found in pseudo-cubic materials such as SrTiO3 or KTaO3. In this paper we present evidence of the susceptibility varying as 1/T3, i.e. with a critical exponent γ = 3. In general γ = (d + z – 2)/z, where the dynamical exponent for a ferroelectric z = 1 and the dimension is increased by 1 from deff = 3 + z to deff = 4 + z due to the effect of long-range dipole interactions in uniaxial as opposed to multiaxial ferroelectrics. The electric susceptibility of the incipient ferroelectric SrFe12O19, which is slightly further from the quantum phase transition is also found to vary as 1/T3.

  3. Uniaxial ferroelectric quantum criticality in multiferroic hexaferrites BaFe12O19 and SrFe12O19.

    PubMed

    Rowley, S E; Chai, Yi-Sheng; Shen, Shi-Peng; Sun, Young; Jones, A T; Watts, B E; Scott, J F

    2016-05-17

    BaFe12O19 is a popular M-type hexaferrite with a Néel temperature of 720 K and is of enormous commercial value ($3 billion/year). It is an incipient ferroelectric with an expected ferroelectric phase transition extrapolated to lie at 6 K but suppressed due to quantum fluctuations. The theory of quantum criticality for such uniaxial ferroelectrics predicts that the temperature dependence of the electric susceptibility χ diverges as 1/T(3), in contrast to the 1/T(2) dependence found in pseudo-cubic materials such as SrTiO3 or KTaO3. In this paper we present evidence of the susceptibility varying as 1/T(3), i.e. with a critical exponent γ = 3. In general γ = (d + z - 2)/z, where the dynamical exponent for a ferroelectric z = 1 and the dimension is increased by 1 from deff = 3 + z to deff = 4 + z due to the effect of long-range dipole interactions in uniaxial as opposed to multiaxial ferroelectrics. The electric susceptibility of the incipient ferroelectric SrFe12O19, which is slightly further from the quantum phase transition is also found to vary as 1/T(3).

  4. Effects of element substitution on the pyroelectric phase transition of stuffed-tridymite-type BaZnGeO4

    NASA Astrophysics Data System (ADS)

    Nagai, Takayuki; Asai, Shinichiro; Okazaki, Ryuji; Terasaki, Ichiro; Taniguchi, Hiroki

    2015-10-01

    Effects of element substitution on the phase transition between different pyroelectric phases of the stuffed-tridymite-type oxide, BaZnGeO4, are examined by dielectric measurements on BaZn1-xMxGeO4 (M=Ni, Co, and Mn) with x=0.05 and 0.10. The Ni2+-substitution is found to suppress strongly the phase transition, in marked contrast to the cases of Co2+ and Mn2+ that have only subtle influences on the transition temperature. Internal distortions of MO4 tetrahedra due to the Jahn-Teller effect might play a major role in the variation of transition temperature induced by the element substitution.

  5. Local structure of Ba(1-x)Sr(x)TiO3 and BaTi(1-y)Zr(y)O3 nanocrystals probed by X-ray absorption and X-ray total scattering.

    PubMed

    Rabuffetti, Federico A; Brutchey, Richard L

    2013-12-23

    The effect of isovalent chemical substitution on the magnitude and coherence length of local ferroelectric distortions present in sub-20 nm Ba(1-x)Sr(x)TiO3 (x = 0.0, 0.30, 0.50, 1.0) and BaTi(1-y)Zr(y)O3 (y = 0.0, 0.15, 0.50, 1.0) nanocrystals synthesized at room temperature is investigated using X-ray absorption near edge structure (XANES) and pair distribution function analysis of X-ray total scattering data (PDF). Although the average crystal structure of the nanocrystals is adequately described by a centrosymmetric, cubic Pm3m space group, local ferroelectric distortions due to the displacement of the titanium atom from the center of the perovskite lattice are observed for all compositions, except BaZrO3. The symmetry of the ferroelectric distortions is adequately described by a tetragonal P4mm space group. The magnitude of the local displacements of the titanium atom in BaTiO3 nanocrystals is comparable to that observed in single crystals and bulk ceramics, but the coherence length of their ferroelectric coupling is much shorter (≤20 Å). Substitution of Sr(2+) for Ba(2+) and of Zr(4+) for Ti(4+) induces a tetragonal-to-cubic transition of the room temperature local crystal structure, analogous to that observed for single crystals and bulk ceramics at similar compositions. This transition is driven by a reduction of the magnitude of the local displacements of the titanium atom and/or of the coherence length of their ferroelectric coupling. Replacing 50% of Ba(2+) with Sr(2+) slightly reduces the magnitude of the titanium displacement, but the coherence length is not affected. In contrast, replacing 15% of the ferroelectrically active Ti(4+) with Zr(4+) leads to a significant reduction of the coherence length. Deviations from the ideal solid solution behavior are observed in BaTi(1-y)Zr(y)O3 nanocrystals and are attributed to an inhomogeneous distribution of the barium atoms in the nanocrystal. Composition-structure relationships derived for Ba(1-x)Sr(x)TiO3

  6. Hexamer clusters in MeF2:Yb3+ (Me = Ca,Sr,Ba)

    NASA Astrophysics Data System (ADS)

    Chernyshev, V. A.; Nikiforov, A. E.; Nazemnikh, A. D.

    2011-10-01

    The electronic structure and g factors of simple impurity centers and hexamer ytterbium clusters in fluorites have been calculated in terms of the exchange charge model. Preliminarily, their local crystal structures have been calculated in the framework of the shell model with the inclusion of lattice distortions near the impurity. Crystal structure and g factors have been calculated of linear cluster Yb-F-Yb-F oriented along a trigonal axis in BaF2.

  7. Surface structures of ternary iron arsenides AFe2As2 ( A=Ba , Sr, or Ca)

    NASA Astrophysics Data System (ADS)

    Gao, Miao; Ma, Fengjie; Lu, Zhong-Yi; Xiang, Tao

    2010-05-01

    By the first-principles electronic structure calculations, we find that energetically the most favorable cleaved AFe2As2(001) surface is A -terminated with either 2×2 or 1×2 order. For BaFe2As2 , the surface Ba atoms are predominantly in a 2×2 order. A low-temperature cleaving may generate a metastable As-terminated surface. The As-terminated surface in the antiferromagnetic orthorhombic BaFe2As2 also takes a 2×2 order, resulting from the buckling of the surface As atoms and giving rise to a switchable 2×2 scanning tunneling microscopy (STM) pattern upon varying the applied bias. In a 1×2 -ordered A -terminated surface, the high-density spots in the STM image do not directly correspond to the positions of surface atoms. Our results are consistent with the STM observations and resolve the discrepancy between different experimental groups. The study helps establish a physical picture to understand the cleaved AFe2As2 surfaces.

  8. Development of BaO-ZnO-B2O3 glasses as a radiation shielding material

    NASA Astrophysics Data System (ADS)

    Chanthima, N.; Kaewkhao, J.; Limkitjaroenporn, P.; Tuscharoen, S.; Kothan, S.; Tungjai, M.; Kaewjaeng, S.; Sarachai, S.; Limsuwan, P.

    2017-08-01

    The effects of the BaO on the optical, physical and radiation shielding properties of the xBaO: 20ZnO: (80-x)B2O3, where x=5, 10, 15, 20 and 25 mol%, were investigated. The glasses were developed by the conventional melt-quenching technique at 1400 °C with high purity chemicals of H3BO3, ZnO, and BaSO4. The optical transparency of the glasses indicated that the glasses samples were high, as observed by visual inspections. The mass attenuation coefficients (μm), the effective atomic numbers (Zeff), and the effective electron densities (Ne) were increased with the increase of BaO concentrations, and the decrease of gamma-ray energy. The developed glass samples were investigated and compared with the shielding concretes and glasses in terms of half value layer (HVL). The overall results demonstrated that the developed glasses had good shielding properties, and highly practical potentials in the environmental friendly radiation shielding materials without an additional of Pb.

  9. Visible to near-infrared luminescence properties of Nd{sup 3+}-doped La{sub 2}BaZnO{sub 5} phosphor

    SciTech Connect

    Cao, Renping Cao, Chunyan; Yu, Xiaoguang; Sun, Xinyuan; Tang, Pengjie; Ao, Hui

    2014-07-01

    La{sub 2}BaZnO{sub 5}:Nd{sup 3+} phosphors are synthesized by a conventional high temperature solid state reaction method, and its crystal structure and luminescence properties are investigated. Photoluminescence bands peaking at ∼496, 540, 630, 670, 905, 1070, and 1350 nm of La{sub 2}BaZnO{sub 5}:Nd{sup 3+} phosphors are observed at room temperature due to f–f transition of Nd{sup 3+} ion. The optimum Nd{sup 3+} doped concentration is ∼0.03. Lifetimes of La{sub 1.97}BaZnO{sub 5}:0.03Nd{sup 3+} phosphor with 496 and 1070 nm monitoring wavelengths are ∼280 and 250 µs, respectively. The luminescence mechanism is explained by using simplified energy lever diagram of Nd{sup 3+} ion. La{sub 2}BaZnO{sub 5}:Nd{sup 3+} material can be applied to powerful solid-state lasers as high efficient light sources. - Graphical abstract: PL spectra of La{sub 2}BaZnO{sub 5}:Nd{sup 3+} phosphor in the visible and near-infrared regions and their corresponding to PLE at room temperature. - Highlights: • La{sub 2}BaZnO{sub 5}:Nd{sup 3+} phosphor is synthesized. • PL spectrum is observed in the visible region. • PL spectrum is observed in the near-infrared region.

  10. Synthesis of nanostructured framework of novel ZnBaO2 nanopowder via wet chemical approach and hepatocytotoxicity response

    NASA Astrophysics Data System (ADS)

    Athar, Taimur; Vishwakarma, Sandeep Kumar; Alabass, Razzaq; Alqaralosy, Ahmed; Khan, Aleem Ahmed

    2016-08-01

    Wet synthetic process is an effective and facile method at low cost, environmentally benign process for easy scaling-up and then used for fabrication of multi-utility devices. Self-assembling of nanobrick leads to architecture framework with new functional properties which help to make its vast applications as nanodevices with their intrinsic shape, size and functional properties. The bimetallic oxide nanostructure with phase structure was characterized by FTIR, UV-visible electronic absorption, XRD, thermal studies, SEM, TEM, DLS and fluorescence. Nanocrystalline ZnBaO2 powder can be used due to its chemical stability and excellent transmission in the visible region. It was observed that the annealing rate plays an important role to redefine the structural and other physicochemical properties which finally help to change gel into crystalline functional properties with porosity. Wet chemical approach can be used for the synthesis of other metal oxide nanopowders which can be easily scale up for production level. Along with synthesis and characterization, we also assessed biological responses of human hepatocytes exposed to ZnBaO2 nanopowder. Cell membrane permeability and ammonia detoxification were investigated against various concentrations of nanoparticles on in vitro cultured hepatocytes. Our results suggest that low concentrations (<40 μg/ml) of ZnBaO2 nanopowder have no cytotoxic effect on hepatocytes viability, proliferation and detoxification, whereas concentrations above 40 μg/ml depict significant toxicity on cells.

  11. New Fluoride-arsenide Diluted Magnetic Semiconductor (Ba,K)F(Zn,Mn)As with Independent Spin and Charge Doping

    NASA Astrophysics Data System (ADS)

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Liu, Qingqing; Gu, C. Z.; Hu, F. X.; Shen, B. G.; Frandsen, Benjamin; Cheung, Sky; Lian, Liu; Uemura, Yasutomo J.; Ding, Cui; Guo, Shengli; Ning, Fanlong; Munsie, Timothy J. S.; Wilson, Murray Neff; Cai, Yipeng; Luke, Graeme; Guguchia, Zurab; Yonezawa, Shingo; Li, Zhi; Jin, Changqing

    2016-11-01

    We report the discovery of a new fluoride-arsenide bulk diluted magnetic semiconductor (Ba,K)F(Zn,Mn)As with the tetragonal ZrCuSiAs-type structure which is identical to that of the “1111” iron-based superconductors. The joint hole doping via (Ba,K) substitution & spin doping via (Zn,Mn) substitution results in ferromagnetic order with Curie temperature up to 30 K and demonstrates that the ferromagnetic interactions between the localized spins are mediated by the carriers. Muon spin relaxation measurements confirm the intrinsic nature of the long range magnetic order in the entire volume in the ferromagnetic phase. This is the first time that a diluted magnetic semiconductor with decoupled spin and charge doping is achieved in a fluoride compound. Comparing to the isostructure oxide counterpart of LaOZnSb, the fluoride DMS (Ba,K)F(Zn,Mn)As shows much improved semiconductive behavior that would be benefit for further application developments.

  12. New Fluoride-arsenide Diluted Magnetic Semiconductor (Ba,K)F(Zn,Mn)As with Independent Spin and Charge Doping

    PubMed Central

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Liu, Qingqing; Gu, C. Z.; Hu, F. X.; Shen, B. G.; Frandsen, Benjamin; Cheung, Sky; Lian, Liu; Uemura, Yasutomo J.; Ding, Cui; Guo, Shengli; Ning, Fanlong; Munsie, Timothy J. S.; Wilson, Murray Neff; Cai, Yipeng; Luke, Graeme; Guguchia, Zurab; Yonezawa, Shingo; Li, Zhi; Jin, Changqing

    2016-01-01

    We report the discovery of a new fluoride-arsenide bulk diluted magnetic semiconductor (Ba,K)F(Zn,Mn)As with the tetragonal ZrCuSiAs-type structure which is identical to that of the “1111” iron-based superconductors. The joint hole doping via (Ba,K) substitution & spin doping via (Zn,Mn) substitution results in ferromagnetic order with Curie temperature up to 30 K and demonstrates that the ferromagnetic interactions between the localized spins are mediated by the carriers. Muon spin relaxation measurements confirm the intrinsic nature of the long range magnetic order in the entire volume in the ferromagnetic phase. This is the first time that a diluted magnetic semiconductor with decoupled spin and charge doping is achieved in a fluoride compound. Comparing to the isostructure oxide counterpart of LaOZnSb, the fluoride DMS (Ba,K)F(Zn,Mn)As shows much improved semiconductive behavior that would be benefit for further application developments. PMID:27874044

  13. Breaking the Tetra-Coordinated Framework Rule: New Clathrate Ba8 M24 P28+δ (M=Cu/Zn).

    PubMed

    Dolyniuk, Juli-Anna; Zaikina, Julia V; Kaseman, Derrick C; Sen, Sabyasachi; Kovnir, Kirill

    2017-02-20

    A new clathrate type has been discovered in the Ba/Cu/Zn/P system. The crystal structure of the Ba8 M24 P28+δ (M=Cu/Zn) clathrate is composed of the pentagonal dodecahedra common to clathrates along with a unique 22-vertex polyhedron with two hexagonal faces capped by additional partially occupied phosphorus sites. This is the first example of a clathrate compound where the framework atoms are not in tetrahedral or trigonal-pyramidal coordination. In Ba8 M24 P28+δ a majority of the framework atoms are five- and six-coordinated, a feature more common to electron-rich intermetallics. The crystal structure of this new clathrate was determined by a combination of X-ray and neutron diffraction and was confirmed with solid-state (31) P NMR spectroscopy. Based on chemical bonding analysis, the driving force for the formation of this new clathrate is the excess of electrons generated by a high concentration of Zn atoms in the framework. The rattling of guest atoms in the large cages results in a very low thermal conductivity, a unique feature of the clathrate family of compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. New Fluoride-arsenide Diluted Magnetic Semiconductor (Ba,K)F(Zn,Mn)As with Independent Spin and Charge Doping.

    PubMed

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Liu, Qingqing; Gu, C Z; Hu, F X; Shen, B G; Frandsen, Benjamin; Cheung, Sky; Lian, Liu; Uemura, Yasutomo J; Ding, Cui; Guo, Shengli; Ning, Fanlong; Munsie, Timothy J S; Wilson, Murray Neff; Cai, Yipeng; Luke, Graeme; Guguchia, Zurab; Yonezawa, Shingo; Li, Zhi; Jin, Changqing

    2016-11-22

    We report the discovery of a new fluoride-arsenide bulk diluted magnetic semiconductor (Ba,K)F(Zn,Mn)As with the tetragonal ZrCuSiAs-type structure which is identical to that of the "1111" iron-based superconductors. The joint hole doping via (Ba,K) substitution &spin doping via (Zn,Mn) substitution results in ferromagnetic order with Curie temperature up to 30 K and demonstrates that the ferromagnetic interactions between the localized spins are mediated by the carriers. Muon spin relaxation measurements confirm the intrinsic nature of the long range magnetic order in the entire volume in the ferromagnetic phase. This is the first time that a diluted magnetic semiconductor with decoupled spin and charge doping is achieved in a fluoride compound. Comparing to the isostructure oxide counterpart of LaOZnSb, the fluoride DMS (Ba,K)F(Zn,Mn)As shows much improved semiconductive behavior that would be benefit for further application developments.

  15. Strain induced enhancement of magnetization in Ba{sub 2}FeMoO{sub 6} based heterostructure with (Ba{sub x}Sr{sub 1-x})TiO{sub 3}

    SciTech Connect

    Kim, Kyeong-Won; Norton, David P.; Ghosh, Siddhartha Buvaev, Sanal; Hebard, Arthur F.

    2016-05-14

    High quality epitaxial Ba{sub 2}FeMoO{sub 6} thin films and Ba{sub 2}FeMoO{sub 6}–(Ba{sub x}Sr{sub 1−x})TiO{sub 3} bi-layer (BL) and superlattice (SL) structures were grown via pulsed laser deposition under low oxygen pressure, and their structural, magnetic, and magneto-transport properties were examined. Superlattice and bi-layer structures were confirmed by X-ray diffraction patterns. Low temperature magnetic measurement shows that the saturation magnetization (M{sub S}) is significantly higher for SLs and almost similar or lower for BLs, when compared to phase pure Ba{sub 2}FeMoO{sub 6} thin films. The variation of the coercive field (H{sub C}) follows exact opposite trend, where BL samples have higher H{sub C} and SL samples have lower H{sub C} than pure Ba{sub 2}FeMoO{sub 6} thin films. Also, a significant decrease of the Curie temperature is found in both BL and SL structures compared to pure Ba{sub 2}FeMoO{sub 6} thin films. Negative magneto-resistance is seen in all the BL and SL structures as well as in pure Ba{sub 2}FeMoO{sub 6} thin films. In contrast to the magnetic properties, the magneto-transport properties do not show much variation with induced strain.

  16. Fully gapped superconductivity in Ni-pnictide superconductors BaNi2As2 and SrNi2P2

    NASA Astrophysics Data System (ADS)

    Kurita, N.; Ronning, F.; Miclea, C. F.; Tokiwa, Y.; Bauer, E. D.; Subedi, A.; Singh, D. J.; Sakai, H.; Thompson, J. D.; Movshovich, R.

    2011-01-01

    We have performed low-temperature specific heat C and thermal conductivity κ measurements on the Ni-pnictide superconductors BaNi2As2 (Tc = 0.7K) and SrNi2P2 (Tc = 1.4K). The temperature dependences C(T) and κ(T) of the two compounds are similar to the results of a number of s-wave superconductors. Furthermore, the concave field responses of the residual κ for BaNi2As2 rules out the presence of nodes on the Fermi surfaces. We postulate that fully gapped superconductivity could be universal for Ni-pnictide superconductors. Specific heat data on Ba0.6La0.4Ni2As2 shows a mild suppression of Tc and Hc2 relative to BaNi2As2.

  17. Large-scale synthesis of Ba{sub x}Sr{sub 1−x}TiO{sub 3} nanowires with controlled stoichiometry

    SciTech Connect

    Tang, Haixiong E-mail: hsodano@ufl.edu; Zhou, Zhi; Sodano, Henry A. E-mail: hsodano@ufl.edu

    2014-04-07

    This study demonstrates a highly efficient method for large-scale synthesis BaTiO{sub 3} nanowires (NWs) using a two-step hydrothermal reaction. This synthesis process provides a facile approach to the growth of BaTiO{sub 3} NWs with high yield and control over the stoichiometry of the Ba{sub x}Sr{sub 1−x}TiO{sub 3} solid solution. The ferroelectricity of the BaTiO{sub 3} NWs is directly characterized using atomic force microscopy with the piezoelectric strain coupling coefficient (d{sub 33}) reaching 31.1 pm/V. This work provide an avenue for high volume manufacturing of ferroelectric NWs, allowing both fundamental investigation of nanoscale ferroelectricity as well as their future application in the electrical devices.

  18. High ferroelectric polarization in c-oriented BaTiO3 epitaxial thin films on SrTiO3/Si(001)

    NASA Astrophysics Data System (ADS)

    Scigaj, M.; Chao, C. H.; Gázquez, J.; Fina, I.; Moalla, R.; Saint-Girons, G.; Chisholm, M. F.; Herranz, G.; Fontcuberta, J.; Bachelet, R.; Sánchez, F.

    2016-09-01

    The integration of epitaxial BaTiO3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO3/LaNiO3/SrTiO3 heterostructure is grown monolithically on Si(001). The BaTiO3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm2. This result paves the way towards the fabrication of lead-free BaTiO3 ferroelectric memories on silicon platforms.

  19. High ferroelectric polarization in c-oriented BaTiO3 epitaxial thin films on SrTiO3/Si(001)

    SciTech Connect

    Scigaj, M.; Chao, C. H.; Gázquez, J.; Fina, I.; Moalla, R.; Saint-Girons, G.; Chisholm, M. F.; Herranz, G.; Fontcuberta, J.; Bachelet, R.; Sánchez, F.

    2016-09-21

    The integration of epitaxial BaTiO3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO3/LaNiO3/SrTiO3 heterostructure is grown monolithically on Si(001). The BaTiO3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm2. Lastly, this result paves the way towards the fabrication of lead-free BaTiO3 ferroelectric memories on silicon platforms.

  20. High ferroelectric polarization in c-oriented BaTiO3 epitaxial thin films on SrTiO3/Si(001)

    SciTech Connect

    Scigaj, M.; Chao, C. H.; Gázquez, J.; Fina, I.; Moalla, R.; Saint-Girons, G.; Chisholm, M. F.; Herranz, G.; Fontcuberta, J.; Bachelet, R.; Sánchez, F.

    2016-09-21

    The integration of epitaxial BaTiO3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO3/LaNiO3/SrTiO3 heterostructure is grown monolithically on Si(001). The BaTiO3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm2. Lastly, this result paves the way towards the fabrication of lead-free BaTiO3 ferroelectric memories on silicon platforms.

  1. High ferroelectric polarization in c-oriented BaTiO3 epitaxial thin films on SrTiO3/Si(001)

    DOE PAGES

    Scigaj, M.; Chao, C. H.; Gázquez, J.; ...

    2016-09-21

    The integration of epitaxial BaTiO3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO3/LaNiO3/SrTiO3 heterostructure is grown monolithically on Si(001). The BaTiO3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm2. Lastly, this result paves the way towards the fabrication of lead-free BaTiO3 ferroelectric memories on silicon platforms.

  2. Pressure-Induced Structural and Electronic Transition in Sr2ZnWO6 Double Perovskite.

    PubMed

    Li, Nana; Manoun, Bouchaib; Tang, Lingyun; Ke, Feng; Liu, Fengliang; Dong, Haini; Lazor, Peter; Yang, Wenge

    2016-07-05

    High-pressure structural and electrical properties of Sr2ZnWO6 double perovskite were investigated using in situ angle-dispersive synchrotron X-ray diffraction (XRD), Raman, and alternating current (AC) impedance spectroscopy. A structural transition from monoclinic (P21/n) to triclinic (P1̅) phase around 9 GPa was observed due to the pressure-induced distortion of (W, Zn)O6 octahedron. In situ high-pressure Raman spectroscopy showed the increasing interaction among O-W-O in WO6 octahedron with pressure and a transition pressure consistent with the XRD results. From the AC impedance spectroscopy measurements, the resistivity increased steeply by ∼1 order of magnitude around 11 GPa, indicating an electronic transition accompanying the symmetry change. The increase in the interaction among O-W-O enhances the attraction of O(2-) electrons toward W(6+), thus increasing the covalence, which in turn lowers the charge transfer energy between O(2-) and W(6+) and induces the resistivity increase under high pressure.

  3. Mechanochemical synthesis, structure, and properties of solid solutions of alkaline earth metal fluorides: Ma1-xMbxF2 (M: Ca, Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Heise, M.; Scholz, G.; Düvel, A.; Heitjans, P.; Kemnitz, E.

    2016-10-01

    The capability of mechanochemical synthesis for the formation of solid solutions of alkaline earth metal fluorides Ma1-xMbxF2 (M: Ca, Sr, Ba) was tested by fluorination of metal acetates and metal hydroxides with ammonium fluoride directly at milling. Evidence was found for a mutual substitution of cations on their lattice positions in Ca1-xSrxF2 and Ba1-xSrxF2 samples. For the Ba/Ca-system this synthesis route is only partially successful. X-ray diffraction and 19F MAS NMR spectroscopy were used to characterize all samples concerning their crystal structure and local fluorine coordination. Calculations of 19F chemical shifts with the superposition model along with probability calculations for the intensity of the individual 19F lines, performed in dependence on the molar composition of the samples, perfectly agree with the experimental findings. The fluoride ion conductivity of as-prepared samples, determined by temperature dependent DC conductivity measurements, is significantly higher than those of crystalline binary fluorides. Moreover, a higher F- ion conductivity is observed for samples with higher mixing grade in the Ca/Sr-and the Ba/Sr-systems.

  4. Synthesis and Microwave Dielectric Properties of A16V18O61 (A = Ba, Sr and Ca) Ceramics for LTCC Applications

    NASA Astrophysics Data System (ADS)

    Suresh, E. K.; Prasad, K.; Arun, N. S.; Ratheesh, R.

    2016-06-01

    Low-temperature co-firable A16V18O61 (A = Ba, Sr, Ca) ceramics have been prepared through the solid state ceramic route. The structural features of these ceramics have been studied using the x-ray diffraction (XRD) technique. The existence of the A16V18O61 (A = Ba, Sr, Ca) ceramic phase was confirmed through laser Raman spectroscopic studies. Scanning electron microscopy analysis revealed a dense microstructure for the ceramics with closely packed polygonal grains. Among the samples studied, Ba16V18O61 ceramic was prepared in the ultralow sintering temperature of 620°C for 1 h, which can be co-firable with an aluminium electrode. XRD and electron dispersive spectroscopy analyses showed that the samples under study have excellent compatibility with metal electrodes. The microwave dielectric properties measured using a vector network analyzer revealed that A16V18O61 (A = Ba, Sr, Ca) ceramics have excellent unloaded quality factors.

  5. Electronic structure and bonding interactions in Ba1- x Sr x Zr0.1Ti0.9O3 ceramics

    NASA Astrophysics Data System (ADS)

    Mangaiyarkkarasi, Jegannathan; Sasikumar, Subramanian; Saravanan, Olai Vasu; Saravanan, Ramachandran

    2017-06-01

    An investigation on the precise electronic structure and bonding interactions has been carried out on Ba1- x Sr x Zr0.1Ti0.9O3 (short for BSZT, x = 0, 0.05, 0.07 and 0.14) ceramic systems prepared via high-temperature solid state reaction technique. The influence of Sr doping on the BSZT structure has been examined by characterizing the prepared samples using PXRD, UV-visible spectrophotometry, SEM and EDS. Powder profile refinement of X-ray data confirms that all the synthesized samples have been crystallized in cubic perovskite structure with single phase. Charge density distribution of the BSZT systems has been completely analyzed by the maximum entropy method (MEM). Co-substitution of Sr at the Ba site and Zr at the Ti site into the BaTiO3 structure presents the ionic nature between Ba and O ions and the covalent nature between Ti and O ions, revealed from MEM calculations. Optical band gap values have been evaluated from UV-visible absorption spectra. Particles with irregular shapes and well defined grain boundaries are clearly visualized from SEM images. The phase purity of the prepared samples is further confirmed by EDS qualitative spectral analysis.

  6. Theoretical survey on M@C80 (M = Ca, Sr, and Ba): Behavior of different alkaline earth metal impacting the chemical stability and electronic properties

    NASA Astrophysics Data System (ADS)

    Cui, Jin-Bo; Guo, Yi-Jun; Li, Qiao-Zhi; Zhao, Pei; Zhao, Xiang

    2016-08-01

    Structures of mono-metallofullerenes M@C80 (M = Ca, Sr, and Ba) that separated in early experiment are determined owning the C2v(31920)-C80 cage. The change rule of properties for M@C80 (M = Ca, Sr, and Ba) influenced by different inner metal are discussed. As the trapped metal changes from calcium to barium, performance of thermodynamic stabilities for M@C2v(31920)-C80, M@C2v(31922)-C80, and M@D5h(31923)-C80 are significantly different. Orbital analysis suggests that the lowest unoccupied molecular orbitals (LUMOs) of Ca@C2v(31920)-C80 and Ca@D5h(31923)-C80 are mostly located on the trapped metal, whereas reduction reactions of Ca@C2v(31920)-C80 and Ca@D5h(31923)-C80 occur on the fullerene cage. Natural electron configuration analyses demonstrates that the decentralized electron back-donation of Ba@C2v(31920)-C80 would take responsible for the instability of itself. Electronic properties such as electron affinities and ionization potentials are significantly affected by encapsulated metal are also found. Computational UV-visible-NIR spectra for M@C2v(31920)-C80 (M = Ca, Sr, Ba) are in perfect accord with the spectra obtained experimentally.

  7. Concentrations and ratios of Sr, Ba and Ca along an estuarine river to the Gulf of Mexico - implication for sea level rise effects on trace metal distribution

    NASA Astrophysics Data System (ADS)

    He, S.; Xu, Y. J.

    2015-11-01

    Strontium and barium to calcium ratios are often used as proxies for tracking animal movement across salinity gradients. As sea level rise continues, many estuarine rivers in the world face saltwater intrusion, which may cause changes in mobility and distribution of these metals upstream. Despite intensive research on metal adsorption and desorption in marine systems, knowledge of the spatiotemporal distribution of these elements along estuarine rivers is still limited. In this study, we conducted an intensive monitoring of Sr and Ba dynamics along an 88 km long estuary, the Calcasieu River in South Louisiana, USA, which has been strongly affected by saltwater intrusion. Over the period from May 2013 to August 2015, we collected monthly water samples and performed in-situ water quality measurements at six sites from the upstream to the river mouth, with a salinity range from 0.02 to 29.50 ppt. Water samples were analyzed for Sr, Ba, and Ca concentrations. In-situ measurements were made on salinity, pH, water temperature, dissolved oxygen concentration, and specific conductance. We found that the Sr and Ca concentrations and the Sr / Ca ratio all increased significantly with increasing salinity. The average Sr concentration at the site closest to the Gulf of Mexico (site 6) was 46.21 μmol L-1, which was about 130 times higher than that of the site furthest upstream (site 1, 0.35 μmol L-1). The average Ca concentration at site 6 was 8.19 mmol L-1, which was about 60 times higher than that of site 1 (0.13 mmol L-1). The average Sr / Ca ratio at site 6 (8.41 mmol mol-1) was about 3 times the average Sr / Ca ratio at site 1 (2.89 mmol mol-1). However, the spatial variation in Ba concentration was marginal, varying from 0.36 μmol L-1 at site 6 to 0.47 at site 5. The average Ba / Ca ratio at site 1 (4.82 mmol mol-1) was about 54 times the average Ba / Ca ratio at site 6 (0.09 mmol mol-1), showing a clear negative relation between the Ba / Ca ratio and increasing

  8. Les Néandertaliens étaient-ils essentiellement carnivores ? Résultats préliminaires sur les teneurs en Sr et en Ba de la paléobiocénose mammalienne de Saint-CésaireWere Neandertalians essentially carnivores? Sr and Ba preliminary results of the mammalian palaeobiocoenosis of Saint-Césaire

    NASA Astrophysics Data System (ADS)

    Balter, Vincent; Person, Alain; Labourdette, Nathalie; Drucker, Dorothée; Renard, Maurice; Vandermeersch, Bernard

    2001-01-01

    Strontium-calcium (Sr/Ca) and barium-calcium (Ba/Ca) ratios are reduced constantly between diet and bioapatite in mammal organisms. This phenomenon leads to a reduction in the Sr/Ca and Ba/Ca ratios at higher trophic level in predator-prey mammalian communities, and is applied here to the reconstruction of a castelperronian food web, which includes a Neanderthal specimen. Adapted chemical pretreatment allows to isolate bioapatite from diagenetic compounds for analysis of Ca, Sr and Ba. Sr/Ca and Ba/Ca results of the fauna are consistent with trophic predictions. Initial results for the Neandertal suggest that he was mostly carnivorous. Distribution of Ba/Ca values of bones of herbivorous taxa reveals that ruminant animals can be distinguished from non-ruminants. The biosegregation model predicts that the diet of the Neandertal was composed by about 97 % in weight of meat with a weak contribution of vegetable or fish, and that the association of fish and plant is excluded in any proportion.

  9. On the characterization of Bi MO 2NO 3 ( M=Pb, Ca, Sr, Ba) materials related with the Sillén X 1 structure

    NASA Astrophysics Data System (ADS)

    Ziegler, Peter; Grigoraviciute, Inga; Gibson, Katharina; Glaser, Jochen; Kareiva, Aivaras; Meyer, H.-Jürgen

    2004-10-01

    The compounds BiMO2NO3, with M=Pb, Ca, Sr, and Ba, were obtained as single-phase products from solid-state reactions in an atmosphere of nitrous gases. The oxide nitrates with Pb and Ca crystallize in the tetragonal space group I4/mmm with two formula units per unit cell; the oxide nitrates with Sr and Ba crystallize in the orthorhombic space group Cmmm with four formula units per unit cell. Lattice parameters at room temperature are a=397.199(4), c=1482.57(2) pm for M=Pb; a=396.337(5), c=1412.83(3) pm for M=Ca; a=1448.76(3), b=567.62(1), c=582.40(1) pm for M=Sr and a=1536.50(8), b=571.67(3), c=597.55(3) pm for M=Ba. The structures, which were refined by powder X-ray diffraction, consist of alternating [BiMO2]+ and [NO3]- layers stacked along the direction of the long axis. IR and thermogravimetric data are also given. The various M2+ cations in BiMO2NO3 are compatible with each other; therefore and because of their layer-type structure, these compounds are interesting precursors for oxide materials, e.g., the HTSC compounds (Bi,Pb)2Sr2Can-1CunOx.

  10. Effect of Sr doping on the electrochemical properties of bi-functional oxygen electrode PrBa1-xSrxCo2O5+δ

    NASA Astrophysics Data System (ADS)

    Wu, Zhouling; Sun, Li-Ping; Xia, Tian; Huo, Li-Hua; Zhao, Hui; Rougier, Aline; Grenier, Jean-Claude

    2016-12-01

    Sr-doped double perovskite oxides PrBa1-xSrxCo2O5+δ (x = 0.0-1.0) are prepared and characterized by X-ray diffraction, X-ray photoelectron spectra, cyclic voltammetry and linear sweep voltammetry, respectively. Sr2+ doping is found to promote the electrocatalytic activity towards both oxygen evolution reduction and oxygen reduction reaction, due to the concentration enhancement of Co4+ (eg = 1) on the oxide surface. The PrBa0.25Sr0.75Co2O5.95 catalyst, with the highest concentration of Co4+, exhibits the superior electrocatalytic activity. The onset potential, Tafel slope and the overpotential at given current density of 10.0 mA·cmgeom-2 for the OER are 1.52 V, 75.8 mV·dec-1 and 0.42 V, respectively, comparable to the currently reported high performance OER catalysts. At the same time, the onset potential, Tafel slope, limiting current density and electron transfer number of PrBa0.25Sr0.75Co2O5.95 for ORR are 0.753 V, 58.3 mV·dec-1, 4.081 mA·cmgeom-2 and n = 3.92, respectively, implying much improved ORR activity.

  11. Diagnosis of Oxidation Reactions in Metalorganic Chemical Vapor Deposition of (Ba,Sr)TiO3 Films by In Situ Fourier Transform Infrared Spectroscopy

    NASA Astrophysics Data System (ADS)

    Momose, Shun; Sahara, Ryusuke; Nakamura, Toshihiro; Tachibana, Kunihide

    2001-09-01

    We studied the oxidation reactions of source Ti(t-BuO)2(DPM)2 and Sr(DPM)2 molecules during metalorganic chemical vapor deposition (MOCVD) by in situ Fourier transform infrared spectroscopy (FT-IR). We used O2 and N2O gases as oxidizing agents and investigated the difference in oxidation effect between the two gases. From measurements of IR absorption spectra, we found that O2 is more reactive than N2O in the gas phase, and selectively attacks low-electron-density sites in the source molecules. We deposited strontium oxide and (Ba,Sr)TiO3 films in O2 and N2O ambients, and investigated the relationship between the qualities of deposited films and the gas-phase reactions measured by FT-IR spectroscopy. In terms of the suppression of carbon contamination and the increase in the Ti/(Ba+Sr) atomic ratio, we found that O2 is more suitable than N2O for the deposition of (Ba,Sr)TiO3 films.

  12. Site-related near-infrared luminescence in MAl{sub 12}O{sub 19} (M = Ca, Sr, Ba):Fe{sup 3+} phosphors

    SciTech Connect

    Li, Y.J.; Ma, Y.Y.; Ye, S.; Hu, G.P.; Zhang, Q.Y.

    2014-03-01

    Graphical abstract: - Highlights: • Intense 700–850 nm NIR emissions in MAl{sub 12}O{sub 19} (M = Ca, Sr, Ba):1%Fe{sup 3+} has been obtained. • The NIR emissions can be ascribed to the octahedral Fe{sup 3+} sites. • The site symmetry of Fe{sup 3+} in CA{sub 6} and SA{sub 6} may be lower than that in BA{sub 6}. • The phosphors may be potentially applied in the high-resolution bioimaging. - Abstract: Intense and broad near-infrared (NIR) photoluminescence (PL) peaks locating at 777, 808 and 810 nm is observed for BaAl{sub 12}O{sub 19} (BA{sub 6}):1%Fe{sup 3+}, CaAl{sub 12}O{sub 19} (CA{sub 6}):1%Fe{sup 3+} and SrAl{sub 12}O{sub 19} (SA{sub 6}):1%Fe{sup 3+}, respectively. Electron paramagnetic resonance (EPR) spectra show that Fe{sup 3+} ions substitute for the different types of Al{sup 3+} sites simultaneously. Meanwhile, the luminescence of Fe{sup 3+} in MAl{sub 12}O{sub 19} (M = Ca, Sr and Ba) are ascribed to octahedral Fe{sup 3+}. In addition, the site symmetry of Fe{sup 3+} in CA{sub 6}/SA{sub 6} is lower compared with BA{sub 6}, deduced from the photoluminescence excitation (PLE), EPR and Fourier-transform infrared (FT-IR) spectra. These phosphors can be considered as good candidates for the applications in the field of high-resolution bioimaging.

  13. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

    DOE PAGES

    Fang, C.  M.; Biswas, Koushik

    2015-07-22

    Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer themore » B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.« less

  14. Explaining the Ba, Y, Sr, and Eu abundance scatter in metal-poor halo stars: constraints to the r-process

    NASA Astrophysics Data System (ADS)

    Cescutti, G.; Chiappini, C.

    2014-05-01

    Context. Thanks to the heroic observational campaigns carried out in recent years we now have large samples of metal-poor stars for which measurements of detailed abundances exist. In particular, large samples of stars with metallicities -5 < [Fe/H] <-1 and measured abundances of Sr, Ba, Y, and Eu are now available. These data hold important clues on the nature of the contribution of the first stellar generations to the enrichment of our Galaxy. Aims: We aim to explain the scatter in Sr, Ba, Y, and Eu abundance ratio diagrams unveiled by the metal-poor halo stars. Methods: We computed inhomogeneous chemical evolution models for the Galactic halo assuming different scenarios for the r-process site: the electron-capture (EC) supernovae and the magnetorotationally driven (MRD) supernovae scenarios. We also considered models with and without the contribution of fast-rotating massive stars (spinstars) to an early enrichment by the s-process. A detailed comparison with the now large sample of stars with measured abundances of Sr, Ba, Y, Eu, and Fe is provided (both in terms of scatter plots and number distributions for several abundance ratios). Results: The scatter observed in these abundance ratios of the very metal-poor stars (with [Fe/H] <-2.5) can be explained by combining the s-process production in spinstars, and the r-process contribution coming from massive stars. For the r-process we have developed models for both the EC and the MRD scenarios that match the observations. Conclusions: With the present observational and theoretical constraints we cannot distinguish between the EC and the MRD scenarios in the Galactic halo. Independently of the r-process scenarios adopted, the production of elements by an s-process in spinstars is needed to reproduce the spread in abundances of the light neutron capture elements (Sr and Y) over heavy neutron capture elements (Ba and Eu). We provide a way to test our suggestions by means of the distribution of the Ba isotopic

  15. In vitro and in vivo studies on biodegradable CaMgZnSrYb high-entropy bulk metallic glass.

    PubMed

    Li, H F; Xie, X H; Zhao, K; Wang, Y B; Zheng, Y F; Wang, W H; Qin, L

    2013-11-01

    In order to enhance the corrosion resistance of the Ca65Mg15Zn20 bulk metallic glass, which has too fast a degradation rate for biomedical applications, we fabricated the Ca20Mg20Zn20Sr20Yb20 high-entropy bulk metallic glass because of the unique properties of high-entropy alloys. Our results showed that the mechanical properties and corrosion behavior were enhanced. The in vitro tests showed that the Ca20Mg20Zn20Sr20Yb20 high-entropy bulk metallic glass could stimulate the proliferation and differentiation of cultured osteoblasts. The in vivo animal tests showed that the Ca20Mg20Zn20Sr20Yb20 high-entropy bulk metallic glass did not show any obvious degradation after 4 weeks of implantation, and they can promote osteogenesis and new bone formation after 2 weeks of implantation. The improved mechanical properties and corrosion behavior can be attributed to the different chemical composition as well as the formation of a unique high-entropy atomic structure with a maximum degree of disorder.

  16. Impact of antiphase domain boundaries on the dielectric response of Ba_xSr_1-xTiO3 thin films

    NASA Astrophysics Data System (ADS)

    Naumov, Ivan; Rabe, Karin; Cohen, Morrel

    2003-03-01

    Epitaxial Ba_xSr_1-xTiO3 (BST) films grown on MgO substrates have a high density of anti-phase domain boundaries (ADB's). These defects are belived to be one of the primary causes for the lowering of the dielectric constant of the films compared to bulk. We investigate the impact of ADBs on the dielectric constants of BST films combining first-principles pseudopotential plane-wave density functional calculations with a Landau-Ginzburg approach. We found that the ADBs act to lower the in-plane dielectric constant in several different ways. First, the dielectric response perpendicular to the ADBs is reduced due to the breaking of the infinite Ti-O chains normal to the boundaries. To show this we have calculated the dielectric properties of SrTiO3 with an ordered array of ADBs. Comparing with the dielectric response of ideal SrTiO_3, we found that the dielectric response perpendicular to the ADBs is reduced by a factor of 4-8. Second, within a Landau-Ginzburg analysis we find that the ADBs parallel to the electric field also lead to a significant reduction in the dielectric constant, as their effective width is given by the coherence length. Finally, the dielectric constant may be even further reduced by a segregation effect near the ADBs. Using ordered supercells and the virtual crystal approximation we discovered that in BST with Ba/Sr-rich APB's, enhancement of the relative Ba/Sr concentration near the boundaries is energetically favorable, raising the Sr concentration in the remainder of the film. This should stabilize the paraelectric state and, consequently, lower the net dielectric constant.

  17. Tl 2Ba 2- xSr xCuO 6: A system exhibiting a compositionally controlled superconductor-metal transition

    NASA Astrophysics Data System (ADS)

    Ganguli, A. K.; Subramanian, M. A.

    1991-02-01

    Strontium-substituted thallium cuprates of the type Tl 2Ba 2- xSr xCuO 6 have been synthesized for various values of x. Single phases were obtained for x ≤ 1.2. The compounds crystallize in the tetragonal structure with space group {I4}/{mmm} as the parent Tl 2Ba 2CuO 6 oxide. Both a and c lattice parameter decrease with increase in x. Tc decreases gradually from 92 to 77 K ( x = 0.8). Beyond x = 1.0 superconductivity is lost. The x = 1.2 comparison is metallic down to 4.2 K.

  18. Sintering of BaCe(0.85)Y(0.15)O3-(Beta) With/Without SrTiO Dopant

    NASA Technical Reports Server (NTRS)

    Dynys, Fred; Sayir, Ali; Heimann, Paula J.

    2004-01-01

    The sintering behavior of BaCe(0.85)Y(0.15)O3-(Beta) doped with SrTiO is described. Complete reaction and crystallization of perovskite phase by solid state was achieved by calcining at 1200 degrees C for 24 hours.Smaples were sintered at 1450 degrees C, 1550 degrees C, and 1650 degrees C. SrTiOsub3 enhanced sintering, while optimal dopant level was different for powders synthesized by solid state and co-precipitation. Both powders exhibit similar grain growth behavior.

  19. Epitaxial Ba2IrO4 thin-films grown on SrTiO3 substrates by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Nichols, J.; Korneta, O. B.; Terzic, J.; Cao, G.; Brill, J. W.; Seo, S. S. A.

    2014-03-01

    We have synthesized epitaxial Ba2IrO4 (BIO) thin-films on SrTiO3 (001) substrates by pulsed laser deposition and studied their electronic structure by dc-transport and optical spectroscopic experiments. We have observed that BIO thin-films are insulating but close to the metal-insulator transition boundary with significantly smaller transport and optical gap energies than its sister compound, Sr2IrO4. Moreover, BIO thin-films have both an enhanced electronic bandwidth and electronic-correlation energy. Our results suggest that BIO thin-films have great potential for realizing the interesting physical properties predicted in layered iridates.

  20. Investigation of the Properties of Ba-Substituted La0.7Sr0.3- x Ba x MnO3 Perovskite Manganite Films for Resistive Switching Applications

    NASA Astrophysics Data System (ADS)

    Choi, Sun Gyu; Lee, Hong-Sub; Yeom, Geun Young; Park, Hyung-Ho

    2013-06-01

    La0.7Sr0.3- x Ba x MnO3 (LSBMO: x = 0.09, 0.18, and 0.27) thin films were prepared on Pt-coated Si substrates using a radiofrequency magnetron sputtering technique at a substrate heating temperature of 450°C. The effects of varying the amount of substituted Ba2+ on the physical, chemical, and electrical properties of the perovskite manganite films were systematically investigated. X-Ray diffraction showed that the growth orientation and crystallinity of films were not affected by the amount of substituted Ba cations. Raman spectroscopy was used to determine the tilt of MnO6 octahedra and the Jahn-Teller-type distortion variation of the manganite films. The change in covalent characteristics of Mn-O bonds with increasing amounts of Ba2+ substituent was analyzed by x-ray photoelectron spectroscopy, specifically to examine the effects of bond characteristics on the resistive switching properties of LSBMO. The resistance of the LSBMO films increased with increasing Ba2+ content due to an increase in the covalent nature of Mn-O bonds. The resistive switching ratio increased with increasing Ba2+ amount, and relationships among resistive switching, Jahn-Teller distortion, and Mn-O bond character of LSBMO films were interpreted.

  1. Luna 16 - Some Li, K, Rb, Sr, Ba, rare-earth, Zr, and Hf concentrations.

    NASA Technical Reports Server (NTRS)

    Philpotts, J. A.; Schnetzler, C. C.; Schuhmann, S.; Thomas , H. H.; Bottino, M. L.

    1972-01-01

    Concentrations of Li, K, Rb, Sr, Na, rare-earths, Zr and Hf have been determined for some Luna 16 core materials by mass-spectrometric isotope-dilution. Two regolith fines samples from different depths in the core, and four rock-chips, including both igneous rocks and breccias, have similar trace-element concentrations. The Luna 16 materials have general lunar trace-element characteristics but differ from other returned lunar samples in a manner that suggests the presence of excess feldspar. Unless the Luna 16 igneous rocks are fused soils, they appear to represent either partial plagioclase cumulates or the least differentiated igneous material yet returned from the moon. The similarity in trace-element concentrations of the igneous rocks and the fines would then suggest largely local derivation of the Luna 16 regolith.

  2. Structural, elastic and electronic properties of C14-type Al2M (M=Mg, Ca, Sr and Ba) Laves phases

    NASA Astrophysics Data System (ADS)

    Lishi, Ma; Yonghua, Duan; Runyue, Li

    2017-02-01

    The structural and mechanical properties, Debye temperatures and anisotropic sound velocities of the Laves phases Al2M (M=Mg, Ca, Sr and Ba) with C14-type structure were investigated using the first-principles corresponding calculations. The corresponding calculated structural parameters and formation enthalpies are in good agreement with the available theoretical values, and Al2Ca has the best phase stability. The mechanical properties, including elastic constants, bulk modulus B, shear modulus G, Young's modulus E, and Poisson ratio ν, were deduced within the Voigt-Reuss-Hill approximation. The brittleness and ductility were estimated by the values of Poisson ratio, B/G and Cauchy pressure. Moreover, the elastic anisotropy was investigated by calculating and discussing several anisotropy indexes. Finally, the electronic structures were used to illustrate the bonding characteristics of C14-Al2M (M=Mg, Ca, Sr and Ba) phases.

  3. Abnormal thermal conductivity in tetragonal tungsten bronze Ba{sub 6−x}Sr{sub x}Nb{sub 10}O{sub 30}

    SciTech Connect

    Kolodiazhnyi, T. Sakurai, H.; Vasylkiv, O.; Borodianska, H.; Mozharivskyj, Y.

    2014-03-17

    Ba{sub 6−x}Sr{sub x}Nb{sub 10}O{sub 30} solid solution with 0 ≤ x ≤ 6 crystallizes in centrosymmetric tetragonal “tungsten bronze” structure (space group P4/mbm). We report on the x dependence of thermal conductivity of polycrystalline samples measured in the 2–400 K temperature interval. Substitution of Sr for Ba brings about a significant decrease in thermal conductivity at x ≥ 3 accompanied by development of a low-temperature (T ≈ 10–30 K) “plateau” region reminiscent of a glass-like compounds. We explain this behaviour based on a size-driven site occupancy and atomic displacement parameters associated with an alkaline earth atomic positions in the title compounds.

  4. Structural and complex AC impedance spectroscopic studies of A 2CoNbO 6 (A = Sr, Ba) ordered double perovskites

    NASA Astrophysics Data System (ADS)

    Bashir, J.; Shaheen, R.

    2011-05-01

    Powder X-ray diffraction has been employed to study the crystal structures of Sr 2CoNbO 6 ( SCNO) and Ba 2CoNbO 6 ( BCNO) double perovskites. Rietveld fit to the X-ray diffraction data showed that Ba 2CoNbO 6 perovskites was monoclinic with space group P2 1/ n whereas Sr 2CoNbO 6 was found to be tetragonal with space group I4/ m. Like other cobalt based perovskites, both materials exhibit high values of dielectric constant at room temperature and low frequencies. Room temperature impedance and modulus spectra, measured over the 1 Hz to 10 MHz, reveal two relaxation processes with different relaxation times which were attributed to the grain and grain boundaries.

  5. A comparative study on the magnetic and electrical properties of MFe12O19 (M=Ba and Sr)/BiFeO3 nanocomposites

    NASA Astrophysics Data System (ADS)

    Ahmed, M. A.; Mansour, S. F.; Ismael, H.

    2015-03-01

    M-type hexaferrite (MFe12O19), M=Ba or Sr nanoparticles with hexagonal crystal structure have been successfully synthesized by a citrate auto-combustion method. BiFeO3 (BFO) was prepared by the flash auto-combustion technique. Different nanocomposites were prepared according to the formula [(1-X) MFe12O19+XBiFeO3; M=Ba or Sr, X=0.3, 0.4, 0.5 and 0.6]. The structure and morphology of the obtained nanocomposites have been determined by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). From the results, it is observed that the value of saturation magnetization decreases with increasing BFO content, which was mainly due to the contribution of the volume of the weak-magnetic BFO to the total sample volume.

  6. Enhance D. C. resistivity of Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} ceramic by acceptor (Mn) doping

    SciTech Connect

    Sharma, Hakikat Arya, G. S.; Pramar, Kusum; Negi, N. S.

    2015-05-15

    In the present work, we prepared Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Mn (2 and 3 at % on Ti site) doped Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} ceramic by sol- gel method. The samples were characterized by X-ray diffraction (XRD). The XRD patterns reveled that Mn ions did not change the perovskite structure of BST (70/30). The dielectric measurements proved that dielectric constant decreased with Mn doping. The dc resistivity was studied by using I-V measurements. The dc resistivity of the BST increased with Mn doping, which suppressed the leakage current.

  7. Precise lattice parameter measurements of Sr0.72Ba0.25Nb2O5.97 single crystals

    NASA Astrophysics Data System (ADS)

    Paszkowski, R.; Wokulska, K. B.; Dec, J.; Łukasiewicz, T.

    2014-09-01

    Pure and undoped strontium-barium niobate Sr0.72Ba0.25Nb2O5.97 single crystals grown by the Czochralski method were investigated. Using X-ray Bond's method lattice parameters of this crystals are determined with high accuracy in the order of Δd/d=10-5. Based on the lattice parameter data measured at 298 K it was ascertained that the Sr0.72Ba0.25Nb2O5.97 single crystals belong to the tetragonal system. The additional analysis of the diffraction patterns performed by the Laue method confirmed the occurrence of a four-fold axis of symmetry.

  8. Temperature-dependent far-infrared reflectance of an epitaxial (BaTiO3)8/(SrTiO3)4 superlattice

    NASA Astrophysics Data System (ADS)

    Železný, V.; Caha, O.; Soukiassian, A.; Schlom, D. G.; Xi, X. X.

    2017-06-01

    Infrared reflectance spectra of the polar optic phonons in a [(BaTiO3)8/(SrTiO3)4] 50 superlattice over the temperature range 8 to 650 K are reported. The spectra exhibit lattice vibration features typical of the perovskite constituents, BaTiO3 and SrTiO3. Using the effective medium approximation for multilayer systems and a fitting procedure, we were able to successfully simulate the infrared reflectivity of the superlattice structures and extract the parameters and dielectric functions of the phonons. When applied at varying temperatures, this approach provides the parameters of the zone-center polar phonons and their temperature dependence. Comparing these results with x-ray diffraction we identified some anomalies in phonon behavior related to the phase transitions that the superlattice undergoes.

  9. Studies of EPR spectra and defect structure for Er3+ ions in BaF2 and SrF2 crystals

    NASA Astrophysics Data System (ADS)

    Li, Hui; Kuang, Xiao-Yu; Mao, Ai-Jie; Li, Cheng-Gang

    2013-02-01

    The local lattice structure and electron paramagnetic resonance (EPR) spectra have been studied systematically by diagonalizing 364 × 364 complete energy matrices for a f11 ion in a trigonal ligand-field. By simulating the calculated Stark levels and EPR parameters to the experimental results, the shift parameters are determined for Er3+ ions in BaF2 and SrF2. The results show that the trigonal center is attributed to an interstitial F- ion located at the [1 1 1] axis of the cube, and the nearest ligand close to the charge compensator has a displacement towards central ion by 0.042 Å for L center in BaF2:Er3+ and 0.026 Å for J center in SrF2:Er3+, respectively. Moreover, the relationships between g-factors and shift parameter ΔZ as well as orbit reduction factor k' are discussed.

  10. New resistance anomaly in superconducting Zn-doped Bi 2Sr 2CaCu 2O 8 single crystals

    NASA Astrophysics Data System (ADS)

    Wang, Wenhu; Zhou, Yuqin; Chen, Zhaojia; Zheng, Ping; Wang, Nanlin; Jin, Duo

    2000-11-01

    We have measured the magnetoresistance of Zn-doped superconducting Bi 2Sr 2CaCu 2O 8 single crystals and found that for a small driving current (⩽20mA) the resistance displays a very sharp rise just below Tc before the zero-resistance state is reached. The resistance anomaly disappeared when a magnetic field (≈100Gs) or a large current was applied. We proposed that the resistance peak is a quasireentrant behavior due to the superconducting phase inhomogeneous distribution resulting from the Zn doped.

  11. Surface chemistry and infrared absorbance changes during ZnO atomic layer deposition on ZrO2 and BaTiO3 particles

    NASA Astrophysics Data System (ADS)

    Ferguson, J. D.; Weimer, A. W.; George, S. M.

    2005-01-01

    ZnO atomic layer deposition (ALD) was achieved using sequential exposures of Zn(CH2CH3)2 and H2O on ZrO2 and BaTiO3 particles at 450 K. The surface chemistry of ZnO ALD was monitored in vacuum using Fourier transform infrared spectroscopy. The BaTiO3 and ZrO2 particles initially displayed vibrational features consistent with surface hydroxyl (-OH) groups. Zn(CH2CH3)2 exposure removed the surface hydroxyl groups and created Zn(CH2CH3)* surface species. The subsequent H2O exposure removed the Zn(CH2CH3)* surface species and produced ZnOH* surface species. Repeating the Zn(CH2CH3)2 and H2O exposures in an ABAB... reaction sequence at 450 K progressively deposited ZnO. Because ZnO is a semiconductor, the background infrared absorbance increased with the number of AB cycles during the deposition of the ZnO film. The increasing background infrared absorbance during long Zn(CH2CH3)2 exposures also revealed that the Zn(CH2CH3)2 reaction is not self-limiting. The background absorbance was modulated dramatically by the presence of ethyl (-CH2CH3) or hydroxyl (-OH) groups on the surface of the growing ZnO film. The infrared absorbance was higher with hydroxyl (-OH) groups and lower with ethyl (-CH2CH3) groups on the ZnO surface. The background absorbance changes were not linear with surface coverage. The large changes in absorbance after low reactant exposure suggested that the most reactive surface sites may be most influential in affecting the film conductance. Transmission electron microscopy (TEM) was used to examine the ZnO films deposited on the ZrO2 and BaTiO3 particles. The TEM images revealed ZrO2 and BaTiO3 particles encapsulated by conformal ZnO films. The ZnO films had a thickness of ~43 A˚ after 20 AB reaction cycles and ~65 A˚ after 30 AB reaction cycles, respectively. These TEM images are consistent with a ZnO ALD growth rate at 450 K of ~2.2 A˚/AB cycle.

  12. Microwave Dielectric Properties for Ba(Mg1/3Ta2/3)O3 A(Mg1/2W1/2)O3 (A=Ba, Sr, and Ca) Ceramics

    NASA Astrophysics Data System (ADS)

    Furuya, Mitsuru; Ochi, Atsushi

    1994-09-01

    For a high-Q dielectric resonator at microwave frequencies, complex perovskite-structured Ba(Mg1/3Ta2/3)O3 A(Mg1/2W1/2)O3 (A=Ba, Sr, and Ca) ceramics have been developed. A(Mg1/2W1/2)O3 effects on the crystal structure, microstructure, and microwave characteristic of Ba(Mg1/3Ta2/3)O3 (BMT) were investigated. Ba(Mg1/2W1/2)O3 (BMW) decreased the temperature coefficient of resonant frequency ( TCF) for BMT. Sr(Mg1/2W1/2)O3 (SMW) and Ca(Mg1/2W1/2)O3 (CMW) increased it. Zero TCF was obtained for the BMT/BMW=95/5 composition. With 0.5 mol% BMW content, dielectric loss quality, Q d, reached a maximum (40000 at 10 GHz).

  13. Spontaneous orientation-tuning driven by the strain variation in self-assembled ZnO-SrRuO3 heteroepitaxy

    NASA Astrophysics Data System (ADS)

    Zhu, Yuanmin; Chang, Wei Sea; Yu, Rong; Liu, Ruirui; Wei, Tzu-Chiao; He-Hau, Jr.; Chu, Ying-Hao; Zhan, Qian

    2015-11-01

    Heteroepitaxial ZnO and SrRuO3 were grown on SrTiO3 (111) substrates and formed a self-assembled wurtzite-perovskite nanostructure. Spontaneous orientation-tuning of the SrRuO3 pillars was observed, with the growth direction changing from [111]SRO to [011]SRO as the film thickness increased, which is attributed to a misfit strain transition from the biaxial strain imposed by the SrTiO3 substrate to the vertical strain provided by the ZnO matrix. The [011]-SrRuO3 and [0001]-ZnO combination presents a favorable matching in the nanocomposite films, resulting in higher charge carrier mobility. This vertically integrated configuration and regulation on the crystallographic orientations are expected to be employed in designing multi-functional nanocomposite systems for applications in electronic devices.

  14. Spontaneous orientation-tuning driven by the strain variation in self-assembled ZnO-SrRuO{sub 3} heteroepitaxy

    SciTech Connect

    Zhu, Yuanmin; Liu, Ruirui; Zhan, Qian; Chang, Wei Sea; Yu, Rong; Wei, Tzu-Chiao; He, Jr-Hau; Chu, Ying-Hao

    2015-11-09

    Heteroepitaxial ZnO and SrRuO{sub 3} were grown on SrTiO{sub 3} (111) substrates and formed a self-assembled wurtzite-perovskite nanostructure. Spontaneous orientation-tuning of the SrRuO{sub 3} pillars was observed, with the growth direction changing from [111]{sub SRO} to [011]{sub SRO} as the film thickness increased, which is attributed to a misfit strain transition from the biaxial strain imposed by the SrTiO{sub 3} substrate to the vertical strain provided by the ZnO matrix. The [011]-SrRuO{sub 3} and [0001]-ZnO combination presents a favorable matching in the nanocomposite films, resulting in higher charge carrier mobility. This vertically integrated configuration and regulation on the crystallographic orientations are expected to be employed in designing multi-functional nanocomposite systems for applications in electronic devices.

  15. Ferroelectric domain wall relaxation in Ba0.25Sr0.75TiO3 films displaying Curie-Weiss behavior

    NASA Astrophysics Data System (ADS)

    Boikov, Yu. A.; Khamchane, K.; Claeson, T.

    2004-10-01

    Ferroelectric films may be used in integrated circuits for high frequency and memory applications. Losses and interfaces between films and electrodes are problematic. This work concerns the temperature and electric field response of the complex dielectric permittivity and the relaxation of domain walls in a ferroelectric layer that is of sufficient quality to show a Curie-Weiss behavior. Laser ablation was used to deposit 1200 nm thick Ba0.25Sr0.75TiO3 layers between metallic oxide, (100 nm) SrRuO3 and (120 nm) La0.67Ca0.33MnO3, films in epitaxial heterostructures. The electric field response (E ⩽80kV/cm) of the real ε' and imaginary ε″ parts of the complex permittivity of the intermediate Ba0.25Sr0.75TiO3 layer in these parallel plane film capacitors was studied at temperatures above and below the phase transition point TCurie. The latter was determined from the temperature dependence of the inverse dielectric permittivity and its value, TCurie=145K, agrees well with that of bulk single crystal. ε' of the Ba0.25Sr0.75TiO3 layer could be suppressed about 80% by a field E =80kV/cm at temperatures close to TCurieε'(T,E) and ε″(T,E) curves were used to gain insight into the relaxation dynamics of ferroelectric domain walls (DW) in the Ba0.25Sr0.75TiO3 layer. Their influence on ε' was noticed up to T =230K, well above TCurie. The most probable relaxation time τ of the DW in Ba0.25Sr0.75TiO3 follows a relation τ =τ0exp[(ϕ-β√E )/kT], where τ0=1.2×10-10sϕ=75-105meV, and β =4.7×10-24Jm1/2V-1/2.

  16. Structural and electronic properties of Sr{sub x}Ba{sub 1-x}SnO{sub 3} from first principles calculations

    SciTech Connect

    Moreira, E.; Henriques, J.M.; Azevedo, D.L.; Caetano, E.W.S.; Freire, V.N.; Albuquerque, E.L.

    2012-03-15

    Neutron diffraction data for Sr{sub x}Ba{sub 1-x}SnO{sub 3} (x=0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) solid solutions were used as inputs to obtain optimized geometries and electronic properties using the density functional theory (DFT) formalism considering both the local density and generalized gradient approximations, LDA and GGA, respectively. The crystal structures and SnO{sub 6} octahedra tilting angles found after total energy minimization agree well with experiment, specially for the GGA data. Elastic constants were also obtained and compared with theoretical and experimental results for cubic BaSnO{sub 3}. While the alloys with cubic unit cell have an indirect band gap, tetragonal and orthorhombic alloys exhibit direct band gaps (exception made to x=1.0). The Kohn-Sham minimum electronic band gap oscillates from 1.52 eV (cubic x=0.0, LDA) to 2.61 eV (orthorhombic x=1.0, LDA), and from 0.74 eV (cubic BaSnO{sub 3}, GGA) to 1.97 eV (orthorhombic SrSnO{sub 3}, GGA). Parabolic interpolation of bands has allowed us to estimate the effective masses for charge carriers, which are shown to be anisotropic and larger for holes. - Graphical Abstract: Highlights: Black-Right-Pointing-Pointer DFT calculations were performed on Sr{sub x}Ba{sub 1-x}SnO{sub 3} solid solutions. Black-Right-Pointing-Pointer Calculated crystal structures agree well with experiment. Black-Right-Pointing-Pointer Alloys have direct or indirect gaps depending on the Sr molar fraction. Black-Right-Pointing-Pointer The Kohn-Sham gap variation from x=0.0 to x=1.0 is close to the experimental value. Black-Right-Pointing-Pointer Carrier effective masses are very anisotropic, specially for holes.

  17. Comparative studies of dipole polarizabilities in Sr{sup +}, Ba{sup +}, and Ra{sup +} and their applications to optical clocks

    SciTech Connect

    Sahoo, B. K.; Timmermans, R. G. E.; Das, B. P.; Mukherjee, D.

    2009-12-15

    Static dipole polarizabilities are calculated in the ground and metastable states of Sr{sup +}, Ba{sup +} and Ra{sup +} using the relativistic coupled-cluster method. Trends of the electron correlation effects are investigated in these atomic ions. We also estimate the Stark and black-body radiation shifts from these results for these systems for the transitions proposed for the optical frequency standards and compare them with available experimental data.

  18. Growth kinetics of induced domains in Ba0.8Sr0.2TiO3 ferroelectric thin films

    NASA Astrophysics Data System (ADS)

    Kiselev, D. A.; Afanasiev, M. S.; Levashov, S. A.; Chucheva, G. V.

    2015-06-01

    The possibility of the formation of stable domain states in Ba0.8Sr0.2TiO3 films on the initial surface and in a preliminarily polarized region of the film has been demonstrated using piezoresponse force microscopy. The velocity of lateral motion of a domain wall, coercive field, minimal domain size, and recording time for the domain formation under the applied voltage have been calculated.

  19. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    SciTech Connect

    Xia Zhengqiang; Chen Sanping; Wei Qing; Qiao Chengfang

    2011-07-15

    Two new energetic compounds, [M(BTE)(H{sub 2}O){sub 5}]{sub n} (M=Sr(1), Ba(2)) [H{sub 2}BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs linked up by two independent binding modes of H{sub 2}BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face {pi}-{pi} stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two independent binding modes of H{sub 2}BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: > Two novel alkaline earth energetic coordination polymers have been prepared.{yields} Both structures are layered based on 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two distinct H{sub 2}BTE coordination modes.{yields} The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  20. Transparent Conducting Properties of SrSnO3 and ZnSnO3

    SciTech Connect

    Ong, Khuong P.; Fan, Xiaofeng; Subedi, Alaska; Sullivan, Michael B.; Singh, David J.

    2015-04-29

    We report optical properties of doped n-type SrSnO3 and ZnSnO3 in relation to potential application as transparent conductors. We find that the orthorhombic distortion of the perovskite structure in SrSnO3 leads to absorption in the visible as the doping level is increased. This arises from interband transitions. We find that strain tuning could modify this absorption, but does not eliminate it. On the other hand, we find that ZnSnO3 although also having a non-cubic structure, can retain excellent transparency when doped, making it a good candidate transparent conductor.

  1. Strain induced enhancement of magnetization in Ba2FeMoO6 based heterostructure with (BaxSr1-x)TiO3

    NASA Astrophysics Data System (ADS)

    Kim, Kyeong-Won; Ghosh, Siddhartha; Buvaev, Sanal; Hebard, Arthur F.; Norton, David P.

    2016-05-01

    High quality epitaxial Ba2FeMoO6 thin films and Ba2FeMoO6-(BaxSr1-x)TiO3 bi-layer (BL) and superlattice (SL) structures were grown via pulsed laser deposition under low oxygen pressure, and their structural, magnetic, and magneto-transport properties were examined. Superlattice and bi-layer structures were confirmed by X-ray diffraction patterns. Low temperature magnetic measurement shows that the saturation magnetization (MS) is significantly higher for SLs and almost similar or lower for BLs, when compared to phase pure Ba2FeMoO6 thin films. The variation of the coercive field (HC) follows exact opposite trend, where BL samples have higher HC and SL samples have lower HC than pure Ba2FeMoO6 thin films. Also, a significant decrease of the Curie temperature is found in both BL and SL structures compared to pure Ba2FeMoO6 thin films. Negative magneto-resistance is seen in all the BL and SL structures as well as in pure Ba2FeMoO6 thin films. In contrast to the magnetic properties, the magneto-transport properties do not show much variation with induced strain.

  2. Crystal structures of the double perovskites Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6}

    SciTech Connect

    Fu, W.T. Akerboom, S.; IJdo, D.J.W.

    2007-05-15

    Structures of the double perovskites Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6} have been studied by the profile analysis of X-ray diffraction data. The end members, Ba{sub 2}SrWO{sub 6} and Ba{sub 2}CaWO{sub 6}, have the space group I2/m (tilt system a {sup 0} b {sup -} b {sup -}) and Fm3-barm (tilt system a {sup 0} a {sup 0} a {sup 0}), respectively. By increasing the Ca concentration, the monoclinic structure transforms to the cubic one via the rhombohedral R3-bar phase (tilt system a {sup -} a {sup -} a {sup -}) instead of the tetragonal I4/m phase (tilt system a {sup 0} a {sup 0} c {sup -}). This observation supports the idea that the rhombohedral structure is favoured by increasing the covalency of the octahedral cations in Ba{sub 2} MM'O{sub 6}-type double perovskites, and disagrees with a recent proposal that the formation of the {pi}-bonding, e.g., d {sup 0}-ion, determines the tetragonal symmetry in preference to the rhombohedral one. - Graphical abstract: Enlarged sections showing the evolution of the basic (222) and (400) reflections in Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6}. Tick marks below are the positions of Bragg's reflections calculated using the space groups I2/m (x=0), R3-bar (x=0.25, 0.5 and 0.75) and Fm3-barm (x=1), respectively.

  3. Flexoelectric characterization of BaTiO3-0.08Bi(Zn1/2Ti1/2)O3

    NASA Astrophysics Data System (ADS)

    Huang, Shujin; Kim, Taeyang; Hou, Dong; Cann, David; Jones, Jacob L.; Jiang, Xiaoning

    2017-05-01

    Flexoelectricity, the linear coupling between the strain gradient and the induced electric polarization, has been widely studied as a substitution for piezoelectricity among ceramic lead-free materials. Its potential in micro/nano-scale sensing has especially gained attention, outweighing the performance of cutting edge lead-based piezoelectric materials. In this letter, the flexoelectric coefficient of lead-free ceramic BaTiO3-0.08Bi(Zn1/2Ti1/2)O3 (BT-8BZT) was investigated in the transverse mode. The thermal dependence of flexoelectricity in BT-8BZT was investigated at temperatures ranging from 25 °C to 200 °C, and the results were compared with those of BaxSr1-xTiO3 (BST) ceramics. The effective μ12 of BT-8BZT is ˜25 μC/m at room temperature and can remain as high as ˜13 μC/m at 200 °C. This result suggests that BT-8BZT can be effectively used for micro/nano-sensing within a broad range of temperatures.

  4. Effect of manganese doping of BaSrTiO3 on diffusion and domain wall pinning

    NASA Astrophysics Data System (ADS)

    Nadaud, Kevin; Borderon, Caroline; Renoud, Raphaël; Gundel, Hartmut W.

    2015-02-01

    In the present paper, the influence of manganese doping on the dielectric properties of BaSrTiO3 thin films is presented. The real and imaginary parts of the material's permittivity have been measured in a large frequency range (100 Hz-1 MHz) and as a function of the electric field. The tunability and the figure of merit of the material have been obtained from the measurement of the permittivity under an applied DC bias electric field. For the undoped material, the dielectric losses become important for a large DC bias which leads to breakdown. At a suitable dopant rate, this effect disappears. In order to better understand the origin of the related phenomena, we measure the permittivity as a function of the AC excitation amplitude and we decompose the obtained permittivity with the hyperbolic law. This enables to extract the different contributions of the bulk (low frequency diffusion and high frequency lattice relaxation) and of the domain wall motions (vibration and pinning/unpinning) to the material's dielectric permittivity and to understand the effect of manganese doping on each contribution. Knowledge of the related mechanisms allows us to establish the optimum dopant rate (mainly conditioned by the lattice contribution) and to reduce the domain wall motion, which finally is beneficial for the desired properties of the ferroelectric thin film. A particular attention is paid to low frequency diffusion, an especially harmful effect when a DC biasing is mandatory (tunable electronic component in mobile telecommunication devices for example).

  5. Effect of manganese doping of BaSrTiO{sub 3} on diffusion and domain wall pinning

    SciTech Connect

    Nadaud, Kevin Borderon, Caroline Renoud, Raphaël; Gundel, Hartmut W.

    2015-02-28

    In the present paper, the influence of manganese doping on the dielectric properties of BaSrTiO{sub 3} thin films is presented. The real and imaginary parts of the material's permittivity have been measured in a large frequency range (100 Hz–1 MHz) and as a function of the electric field. The tunability and the figure of merit of the material have been obtained from the measurement of the permittivity under an applied DC bias electric field. For the undoped material, the dielectric losses become important for a large DC bias which leads to breakdown. At a suitable dopant rate, this effect disappears. In order to better understand the origin of the related phenomena, we measure the permittivity as a function of the AC excitation amplitude and we decompose the obtained permittivity with the hyperbolic law. This enables to extract the different contributions of the bulk (low frequency diffusion and high frequency lattice relaxation) and of the domain wall motions (vibration and pinning/unpinning) to the material's dielectric permittivity and to understand the effect of manganese doping on each contribution. Knowledge of the related mechanisms allows us to establish the optimum dopant rate (mainly conditioned by the lattice contribution) and to reduce the domain wall motion, which finally is beneficial for the desired properties of the ferroelectric thin film. A particular attention is paid to low frequency diffusion, an especially harmful effect when a DC biasing is mandatory (tunable electronic component in mobile telecommunication devices for example)

  6. [Spectroscopic properties of Er3+ : Ba0.65Sr0.35TiO nanopowders].

    PubMed

    Wu, Ji-qing; Zhang, Tian-jin; Wang, Jing-yang; Yu, Lin; Pan, Rui-kun

    2010-11-01

    Ba0.65Sr0.35TiO2 (BST) nanopowders doped with Er3+ were prepared by sol-gel method. The absorption spectrum and photoluminescence (PL) spectrum of Er3+ : BST nanopowders was measured at room temperature. Based on the Judd-Ofelt theory, the intensity parameters of Er3+ in BST nanopowders were determined, omega2 = 0.993 x 10(-20) cm2, omega4 = 1.665 x 10(-20) cm2 and omega = 0.540 x 10(-20) cm2, and then the values of the line strengths, radiative transition probabilities and branching ratios of Er3+ were calculated. According to the PL spectrum, the emission bands centered at about 522, 545, 654 and 851 nm corresponding to 2H(11/2)-->4S(3/2-->4I(15/2), 4F(9/2)-->4I(15/2), and 4S(3/2-->4I(13/2) transition were observed, and the emission properties were also discussed. The results show that the Er3+ : BST nanomaterials are prospective candidates for applications in new photoelectric devices.

  7. Redetermination of the structure of ALa2WO7 (A=Ba, Sr) with fluorite-like metal ordering

    NASA Astrophysics Data System (ADS)

    Fu, W. T.; IJdo, D. J. W.; Bontenbal, A.

    2013-05-01

    The crystal structures of ALa2WO7 (A=Ba, and Sr) at room temperature were re-determined by the Rietveld method using the combined X-ray and neutron powder diffraction data. The compounds are confirmed to be isomorphic, crystallizing in the space group P1121/b. In ALa2WO7 the ordering of metal atoms is fluorite-like, but it differs from that of the fluorite-defect compounds of the formula Ln3MO7 (Ln=lanthanide or Y, M=pentavalent metal). The structure of ALa2WO7 consists of isolated WO6 octahedra, whereas in the normal Ln3MO7 the MO6 octahedra share corners forming one-dimensional chains. Although ALa2WO7 has a centric space group, La ions are not situate at the centre of symmetry, which explains the 5D0→7F2 transition being dominant in emission spectrum of Eu-doped materials.

  8. Electronic structures and ferroelectric instabilities of cubic AV O3 (A = Sr, Ba, and Pb) perovskites by first-principles calculations

    NASA Astrophysics Data System (ADS)

    Yan, Shu-yao; Xie, Ying; Liu, Tao; Yu, Hai-tao

    2010-03-01

    The electronic properties and ferroelectric transition behaviors of three AV O3 (A = Sr, Ba, and Pb) compounds are investigated by first-principles density functional theory (FP-DFT) in combination with soft-mode theory. The band structures and projection density of states (PDOS) confirm that the bonding properties of SrV O3 and BaV O3 are rather similar to each other, but different to that of PbV O3. The bonding differences determine the ferroelectric transition behaviors of these compounds. For SrV O3 and BaV O3, no ferroelectric instability is observed and they possess cubic structures. The covalent interactions of Pb-O pairs are very important for the ferroelectric instability of PbV O3. In comparison to PbTiO3, we found that the V-O interactions further enhance the ferroelectric instability of PbV O3, and therefore PbV O3 shows a much larger tetragonal distortion than PbTiO3.

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

    NASA Astrophysics Data System (ADS)

    Aharbil, Y.; Labrim, H.; Benmokhtar, S.; Ait Haddouch, M.; Bahmad, L.; Laanab, L.

    2016-08-01

    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.

  10. Band-gap tuning and magnetic properties of heterovalent ions (Ba, Sr and Ca) substituted BiFeO3 nanoparticles

    NASA Astrophysics Data System (ADS)

    Chauhan, Sunil; Kumar, Manoj; Katyal, S. C.

    2016-05-01

    A Comparative study of heterovalent Ba, Sr and Ca ions substitution on the structural, vibrational, optical and magnetic properties of BiFeO3 nanoparticles was carried out. The distorted rhombohedral structure was confirmed from both X-ray diffraction and Raman spectroscopy techniques in pure BiFeO3 and Bi0.85A0.15FeO3 (A= Ba, Sr and Ca) samples. UV-Visible spectroscopy results show that the band-gap of BiFeO3 nanoparticles can be tuned by heterovalent ions substitution from 2.12 eV for BiFeO3 to 2.10, 2.06 and 2.03 eV for Ca, Sr and Ba substituted BiFeO3 nanoparticles respectively. The magnetic measurements indicate enhancement in magnetization for heterovalent A2+ substituted BiFeO3 samples and the magnetization increases with increase of ionic radius of the substituted ions.

  11. Synthesis of MSnO{sub 3} (M = Ba, Sr) nanoparticles by reverse micelle method and particle size distribution analysis by whole powder pattern modeling

    SciTech Connect

    Ahmed, Jahangeer; Blakely, Colin K.; Bruno, Shaun R.; Poltavets, Viktor V.

    2012-09-15

    Highlights: ► BaSnO{sub 3} and SrSnO{sub 3} nanoparticles synthesized using the reverse micelle method. ► Particle size and size distribution studied by whole powder pattern modeling. ► Nanoparticles are of optimal size for investigation in dye-sensitized solar cells. -- Abstract: Light-to-electricity conversion efficiency in dye-sensitized solar cells critically depends not only on the dye molecule, semiconducting material and redox shuttle selection but also on the particle size and particle size distribution of the semiconducting photoanode. In this study, nanocrystalline BaSnO{sub 3} and SrSnO{sub 3} particles have been synthesized using the microemulsion method. Particle size distribution was studied by whole powder pattern modeling which confirmed narrow particle size distribution with an average size of 18.4 ± 8.3 nm for SrSnO{sub 3} and 15.8 ± 4.2 nm for BaSnO{sub 3}. These values are in close agreement with results of transmission electron microscopy. The prepared materials have optimal microstructure for successive investigation in dye-sensitized solar cells.

  12. Effect of cations on methane adsorption by NaY, MgY, CaY, SrY, and BaY zeolites

    SciTech Connect

    Talu, O.; Zhang, S.Y.; Hayhurst, D.T. )

    1993-12-09

    Methane isotherms on NaY, MgY, CaY, SrY, and BaY zeolites are measured between 25 and 70[degree]C and upto 6760 kPa. All isotherms are of type I. The initial heat of adsorption for divalent cationic forms decreased with decreasing charge density (CaY > MgY > SrY > BaY) except for MgY. Similar anamoly was observed for methane adsorption on MgX (Zhang, S. Y.; Talu, O.; Hayhurst, D. T. J. Phys. Chem. 1991, 95, 1722) and it is attributed to incomplete dehydration (activation) at normal activation temperatures. The cation type significantly affected adsorption properties even at loadings as high as 7.5 molecules/cavity. CaY has the largest capacity per weight, but the methane pore density decreased in order of decreasing cationic size (BaY > SrY > CaY > MgY > NaY) at 25[degrees]C and 5200 kPa fugacity. This unexpected result is attributed to possible differences in molecular packing around the cations at high loadings. The data were satisfactorily correlated by the virial isotherm model. 29 refs., 6 figs., 3 tabs.

  13. Synchrotron X-ray diffraction study of the Ba{sub 1−x}SrSnO{sub 3} solid solution

    SciTech Connect

    Prodjosantoso, Anti K.; Zhou, Qingdi; Kennedy, Brendan J.

    2013-04-15

    At room temperature the sequence of phases with increasing amounts of strontium in the stannate perovskite system Ba{sub 1−x}SrSnO{sub 3} has been established from high resolution synchrotron X-ray powder diffraction. The observed sequence orthorhombic (Pbnm), orthorhombic (Ibmm), tetragonal (I4/mcm), and cubic (Pm3-bar m) is a consequence of the sequential introduction of cooperative tilting of the corner sharing SnO{sub 6} octahedra. The cell volume changes smoothly across the series with no obvious discontinuities associated with the phase transitions. - Graphical abstract: Portions of the synchrotron X-ray diffraction profiles (λ=0.82453 Å) from selected Ba{sub 1−x}Sr{sub x}SnO{sub 3} samples together with the results of fitting by the Rietveld method. Highlights: ► Structures of the stannate perovskites Ba{sub 1−x}SrSnO{sub 3} refined from synchrotron XRD. ► The sequence Pm3-bar m→I4/mcm→Ibmm→Pbnm results from tilting of the octahedra. ► The tilting maintains optimal bonding of the cations seen from the BVS analysis.

  14. Band-gap tuning and magnetic properties of heterovalent ions (Ba, Sr and Ca) substituted BiFeO{sub 3} nanoparticles

    SciTech Connect

    Chauhan, Sunil Kumar, Manoj; Katyal, S. C.

    2016-05-23

    A Comparative study of heterovalent Ba, Sr and Ca ions substitution on the structural, vibrational, optical and magnetic properties of BiFeO{sub 3} nanoparticles was carried out. The distorted rhombohedral structure was confirmed from both X-ray diffraction and Raman spectroscopy techniques in pure BiFeO{sub 3} and Bi{sub 0.85}A{sub 0.15}FeO{sub 3} (A= Ba, Sr and Ca) samples. UV-Visible spectroscopy results show that the band-gap of BiFeO{sub 3} nanoparticles can be tuned by heterovalent ions substitution from 2.12 eV for BiFeO{sub 3} to 2.10, 2.06 and 2.03 eV for Ca, Sr and Ba substituted BiFeO{sub 3} nanoparticles respectively. The magnetic measurements indicate enhancement in magnetization for heterovalent A{sup 2+} substituted BiFeO{sub 3} samples and the magnetization increases with increase of ionic radius of the substituted ions.

  15. The Solid Solution Sr(1-x)Ba(x)Ga2: Substitutional Disorder and Chemical Bonding Visited by NMR Spectroscopy and Quantum Mechanical Calculations.

    PubMed

    Pecher, Oliver; Mausolf, Bernhard; Lamberts, Kevin; Oligschläger, Dirk; Niewieszol, Carina; Englert, Ulli; Haarmann, Frank

    2015-09-28

    Complete miscibility of the intermetallic phases (IPs) SrGa2 and BaGa2 forming the solid solution Sr(1-x)Ba(x)Ga2 is shown by means of X-ray diffraction, thermoanalytical and metallographic studies. Regarding the distances of Sr/Ba sites versus substitution degree, a model of isolated substitution centres (ISC) for up to 10% cation substitution is explored to study the influence on the Ga bonding situation. A combined application of NMR spectroscopy and quantum mechanical (QM) calculations proves the electric field gradient (EFG) to be a sensitive measure of different bonding situations. The experimental resolution is boosted by orientation-dependent NMR on magnetically aligned powder samples, revealing in first approximation two different Ga species in the ISC regimes. EFG calculations using superlattice structures within periodic boundary conditions are in fair agreement with the NMR spectroscopy data and are discussed in detail regarding their application on disordered IPs. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Characteristics of quenched Y-Ba-Cu-O thin films on SrTiO/sub 3/ (100),(110) grown by organometallic chemical vapor deposition

    SciTech Connect

    Tsuruoka, T.; Takahashi, H.; Kawasaki, R.; Kanamori, T.

    1989-05-01

    A thin Y-Ba-Cu-O film was formed by the organometallic chemical vapor deposition (OMCVD) method. The substrates used were (100) and (110) SrTiO/sub 3/. After forming Y-Ba-Cu-O at 800 /sup 0/C, it was cooled at a rate of 100 /sup 0/C/min in O/sub 2/ under 1 atm. This film was c-axis oriented, with its (001) surface grown in parallel to the (100) surface of SrTiO/sub 3/ and T/sub c/ = 88 K. The (110) surface of Y-Ba-Cu-O was grown in parallel to the substrate crystal and T/sub c/ = 84 K on the (110) surface of SrTiO/sub 3/. After forming, these films were quenched in air from 800 /sup 0/C to room temperature. The change in resistance of the quenched sample with temperature was metallic, T/sub onset/ = 75 K, and T/sub c/ = 60 K.

  17. Influence of MO/MF2 modifiers (M = Ca, Sr, Ba) on spectroscopic properties of Eu3+ ions in germanate and borate glasses

    NASA Astrophysics Data System (ADS)

    Zur, Lidia; Janek, Joanna; Pietrasik, Ewa; Sołtys, Marta; Pisarska, Joanna; Pisarski, Wojciech A.

    2016-11-01

    Series of Eu3+-doped lead-free germanate and borate glasses were synthesized. The MO glass modifiers (M = Ca, Sr or Ba) were partially or totally substituted by MF2 in chemical composition. In contrast to samples modified by CaO/CaF2 or SrO/SrF2, the germanate glass samples containing BaO and/or BaF2 are fully amorphous, while the lead-free borate glasses are fully amorphous, independently from glass modifiers. Effect of glass modifiers on spectroscopic properties of Eu3+ were systematically investigated. For that reason, excitation and emission spectra of Eu3+ ions in examined systems were registered. Based on the emission spectra, ratio of integrated luminescence intensity of the 5D0 → 7F2 transition to that of the 5D0 → 7F1 transition (R factor) was calculated. Moreover, the luminescence decay curves were collected and the luminescence lifetimes of the 5D0 excited state of Eu3+ ions were determined in function of MF2 concentration.

  18. Response of Acropora digitifera to ocean acidification: constraints from δ11B, Sr, Mg, and Ba compositions of aragonitic skeletons cultured under variable seawater pH

    NASA Astrophysics Data System (ADS)

    Tanaka, Kentaro; Holcomb, Michael; Takahashi, Asami; Kurihara, Haruko; Asami, Ryuji; Shinjo, Ryuichi; Sowa, Kohki; Rankenburg, Kai; Watanabe, Tsuyoshi; McCulloch, Malcolm

    2015-12-01

    The response of Acropora digitifera to ocean acidification is determined using geochemical proxy measurements of the skeletal composition of A. digitifera cultured under a range of pH levels. We show that the chemical composition (δ11B, Sr/Ca, Mg/Ca, and Ba/Ca) of the coral skeletons can provide quantitative constraints on the effects of seawater pH on the pH in the calcification fluid (pHCF) and the mechanisms controlling the incorporation of trace elements into coral aragonite. With the decline of seawater pH, the skeletal δ11B value decreased, while the Sr/Ca ratio showed an increasing trend. The relationship between Mg/Ca and Ba/Ca versus seawater pH was not significant. Inter-colony variation of δ11B was insignificant, although inter-colony variation was observed for Ba/Ca. The decreasing trend of pHCF calculated from δ11B was from ~8.5, 8.4, and 8.3 for seawater pH of ~8.1, 7.8, and 7.4, respectively. Model calculations based on Sr/Ca and pHCF suggest that upregulation of pHCF occurs via exchange of H+ with Ca2+ with kinetic effects (Rayleigh fractionation), reducing Sr/Ca relative to inorganic deposition of aragonite from seawater. We show that it is possible to constrain the overall carbonate chemistry of the calcifying fluid with estimates of the carbonate saturation of the calcifying fluid ( Ω CF) being derived from skeletal Sr/Ca and pHCF (from δ11B). These estimates suggest that the aragonite saturation state of the calcifying fluid Ω CF is elevated by a factor of 5-10 relative to ambient seawater under all treatment conditions.

  19. Surface organization of a DPPC monolayer on concentrated SrCl2 and ZnCl2 solutions.

    PubMed

    Adams, Ellen M; Verreault, Dominique; Jayarathne, Thilina; Cochran, Richard E; Stone, Elizabeth A; Allen, Heather C

    2016-11-30

    Transition metals are known to be enriched in organic-coated marine aerosols, but the impact these cations have on their surface properties is not well understood. Here the effect of Zn(2+) enrichment on the surface properties of a dipalmitoylphosphatidylcholine (DPPC) monolayer was investigated and compared to that of the alkaline earth metal Sr(2+), an ion not enriched in aerosols. Phase behavior of the DPPC film on concentrated aqueous solutions was probed with surface pressure-area isotherms while domain morphology was monitored with Brewster angle microscopy (BAM). Infrared reflection-absorption spectroscopy (IRRAS) and vibrational sum frequency generation (VSFG) spectroscopy were used to assess the impact of cations on the conformation and orientation of alkyl chains as well as the hydration state of the carbonyl and phosphatidylcholine (PC) moieties. Results of compression isotherms and BAM show that Zn(2+) strongly interacts with DPPC molecules, and induces condensation of the monolayer while Sr(2+) only weakly interacts with the monolayer in expanded phases. Conformational order and orientation of alkyl chains in the condensed phase are not significantly altered by either cation. IRRAS indicates that Sr(2+) has weak interactions with the PC headgroup. Zn(2+) ions cause dehydration of carbonyl groups and binds to the phosphate group in a 2 : 1 bridging complex. Findings here suggest that Sr(2+) is not enriched in aerosols because it behaves similar to a monovalent ion and only weakly interacts with the monolayer, while enrichment of Zn(2+) is due to strong binding to the lipid film.

  20. Structural dependence of the photocatalytic properties of double perovskite compounds A2InTaO6 (A = Sr or Ba) doped with nickel.

    PubMed

    Lv, Meilin; Wang, Yawei; Lu, Lingwei; Wang, Ruinan; Ni, Shuang; Liu, Gang; Xu, Xiaoxiang

    2016-08-03

    The crystal structure of photocatalysts generally plays a pivotal role in controlling their electronic structure as well as catalytic performance. In this work, a series of double perovskite compounds A2InTaO6 (A = Sr or Ba) and their Ni doped counterparts were investigated with the aim of understanding how doping and structural modification will affect their photocatalytic activity. Our results show that Ni doping is effective in improving the optical absorption of these wide band gap semiconductors and accommodating the Sr cation in the A sites leads to severe structural distortion, i.e. the In(Ni)-O-Ta bond angle deviates largely from 180°. A better photocatalytic performance was observed for samples with Ni doping and Ba in the A sites. The best photocatalytic hydrogen production rate recorded was ∼293.6 μmol h(-1) for Ba2In0.9Ni0.1TaO6 under full range irradiation, corresponding to an apparent quantum efficiency of 2.75%. DFT calculations reveal the role of Ni doping by forming additional spin-polarized bands inside the intrinsic band gap of the native perovskite. The better photocatalytic activity of Ba2In0.9Ni0.1TaO6 can then be understood as a result of a reduced band gap as well as a linear In(Ni)-O-Ta bond arrangement that is favorable for the strong metal-oxygen-metal interactions.

  1. Synthesis and characterization of Sr(ZnZr) x Fe 12-2 xO 19-PANI composites

    NASA Astrophysics Data System (ADS)

    Yuan, C. L.; Hong, Y. S.; Lin, C. H.

    2011-07-01

    Strontium zinc zirconium hexaferrites/polyaniline (Sr(ZnZr) xFe 12-2 xO 19-PANI, x=0, 0.5, 1.0) composites were synthesized by oxidative chemical polymerization of aniline in the presence of ammonium peroxydisulfate (APS). The structure and morphology of the product was characterized by FTIR, TGA and SEM. The particle size of the core material was found to be about 250-500 nm. After coating with polyaniline, the particle size of Sr(ZnZr) 0.5Fe 11O 19-PANI composites grew upto 0.5-1.0 μm. XRD of the ferrites indicated that the structure of the core materials is hexagonal, with lattice constants around 5.886-5.885 Å. It was found that the saturation magnetization ( MS) and coercivity ( HC) for Sr(ZnZr) xFe 12-2 xO 19-PANI composites decreased after polyaniline coating. The composite under applied magnetic field, exhibited ferromagnetic hysteretic loops with high saturation magnetization ( MS=18.9-3.8 emu/g) and coercivity ( HC=3850.0-583.91 Oe).

  2. Eu(2+)-Activated Alkaline-Earth Halophosphates, M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) for NUV-LEDs: Site-Selective Crystal Field Effect.

    PubMed

    Kim, Donghyeon; Kim, Sung-Chul; Bae, Jong-Seong; Kim, Sungyun; Kim, Seung-Joo; Park, Jung-Chul

    2016-09-06

    Eu(2+)-activated M5(PO4)3X (M = Ca, Sr, Ba; X = F, Cl, Br) compounds providing different alkaline-earth metal and halide ions were successfully synthesized and characterized. The emission peak maxima of the M5(PO4)3Cl:Eu(2+) (M = Ca, Sr, Ba) compounds were blue-shifted from Ca to Ba (454 nm for Ca, 444 nm for Sr, and 434 nm for Ba), and those of the Sr5(PO4)3X:Eu(2+) (X = F, Cl, Br) compounds were red-shifted along the series of halides, F → Cl → Br (437 nm for F, 444 nm for Cl, and 448 nm for Br). The site selectivity and occupancy of the activator ions (Eu(2+)) in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) crystal lattices were estimated based on theoretical calculation of the 5d → 4f transition energies of Eu(2+) using LCAO. In combination with the photoluminescence measurements and theoretical calculation, it was elucidated that the Eu(2+) ions preferably enter the fully oxygen-coordinated sites in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) compounds. This trend can be well explained by "Pauling's rules". These compounds may provide a platform for modeling a new phosphor and application in the solid-state lighting field.

  3. Low temperature preparation of nanocrystalline Sr{sub 0.5}Ba{sub 0.5}Nb{sub 2}O{sub 6} powders using an aqueous organic gel route

    SciTech Connect

    Li Yao; Zhao Jiupeng; Wang Biao

    2004-03-01

    Nano-sized Sr{sub 0.5}Ba{sub 0.5}Nb{sub 2}O{sub 6} (SBN50) ceramic powders have been synthesized by an aqueous organic gel route. Homogeneous Sr-Ba-Nb precursor gels are prepared with Ba-EDTA, Sr-EDTA, and Nb-citrate complex as source of Sr, Ba, and Nb, respectively. Citric acid and ethylenediaminetetraacetic acid (EDTA) were used as the chelating agents. The structural variation of the SBN powder with annealing temperature was studied by TG-DTA, FT-IR and XRD. The precursor gel on calcination at 800 deg. C for 2 h produces a pure tungsten bronze SBN phase and the corresponding average particle size is 30-50 nm. The influences of the pH and the molar ratio of citric acid:Nb cation on the formation of homogeneous Sr-Ba-Nb precursor gels were also studied. The results show that a homogeneous Sr-Ba-Nb precursor gel with no precipitate is formed at pH 8 and the optimum molar ratio of citric acid and the metal cations is 3:1.

  4. Noncollinear magnetic order in the S=(1)/(2) magnet Sr3ZnRhO6

    NASA Astrophysics Data System (ADS)

    Hillier, A. D.; Adroja, D. T.; Kockelmann, W.; Chapon, L. C.; Rayaprol, S.; Manuel, P.; Michor, H.; Sampathkumaran, E. V.

    2011-01-01

    The compound Sr3ZnRhO6 with S=1/2 belongs to a family of pseudo-one-dimensional (1D) spin-chain systems with general formula A3A'BO6. The nature of the ground state of Sr3ZnRhO6 is investigated using microscopic techniques such as muon spin relaxation (μSR) and powder neutron diffraction in addition to bulk characterization using magnetization, ac-susceptibility, and heat capacity. Our μSR study clearly reveals the presence of three frequencies, below 16 K, whose temperature dependence follow a mean-field order parameter indicating long-range magnetic ordering of the Rh4+ moment. Powder neutron diffraction reveals the presence of four weak magnetic Bragg peaks below 16 K, indexed by the propagation vector k=(0,(1)/(2),1) in the hexagonal setting of the space group R3̲c. Analysis of the magnetic diffraction pattern constrained to symmetry-adapted magnetic modes reveals a noncollinear magnetic structure with an ordered magnetic moment of Rh4+=0.7(1) μB. This is the first compound in this spin chain family which exhibits noncollinear magnetic order with the moment tilting away from the c axis, highlighting the important role of interchain and intrachain interactions.

  5. Design of a new family of inorganic compounds Ae2F2SnX3 (Ae = Sr, Ba; X = S, Se) using rock salt and fluorite 2D building blocks.

    PubMed

    Kabbour, Houria; Cario, Laurent; Danot, Michel; Meerschaut, Alain

    2006-01-23

    We could predict the structure of a new family of compounds Ae(2)F(2)SnX(3) (Ae = Sr, Ba; X = S, Se) from the stacking of known 2D building blocks of the rock salt and fluorite types. With a high-temperature ceramic method we have then succeeded to synthesize the four compounds Ba(2)F(2)SnS(3), Ba(2)F(2)SnSe(3), Sr(2)F(2)SnS(3), and Sr(2)F(2)SnSe(3). The structure refinements from X-ray powder diffraction patterns have confirmed the structure predictions and showed their good accuracy. The structure of the four compounds results from the alternated stacking of fluorite [Ae(2)F(2)] (Ae = Sr, Ba) and distorted rock salt [SnX(3)] (X = S, Se) 2D building blocks. As shown by band structure calculations, these blocks behave as a charge reservoir and a charge acceptor, respectively. Sr(2)F(2)SnS(3) and Ba(2)F(2)SnS(3) are transparent with optical gaps of 3.06 and 3.21 eV, respectively. However, an attempt to obtain a transparent conductor by substituting Ba per La in Ba(2)F(2)SnS(3) was unsuccessful.

  6. Preparation and electromagnetic properties of Polyaniline(polypyrrole)-BaFe12O19/Ni0.8Zn0.2Fe2O4 ferrite nanocomposites

    NASA Astrophysics Data System (ADS)

    Wang, Yan; Huang, Ying; Wang, Qiufen; He, Qian; Chen, Lin

    2012-10-01

    The nanocomposite of hard (BaFe12O19)/soft ferrite (Ni0.8Zn0.2 Fe2O4) was prepared by the sol-gel process, and then the polyaniline(PANI)/polypyrrole(PPY)-BaFe12O19/Ni0.8Zn0.2Fe2O4 was produced by in situ polymerization method. The structures, morphology and electromagnetic properties of the samples were characterized by various instruments. XRD, TEM, and FTIR analysis indicated that BaFe12O19/Ni0.8Zn0.2Fe2O4 ferrite were homogenously enwrapped by PANI(PPY) coating. The VSM and SDY-4 measurement show that the magnetic properties of the composites decreased with the increase in PANI(PPY) amount, However, the electrical conductivity is on the contrary. The electromagnetic properties of the composites were much better than BaFe12O19/Ni0.8Zn0.2Fe2O4 in the frequency range of 2-15 GHz, which mainly depends on the dielectric loss of PANI(PPY). A minimum reflection loss of the PANI(PPY)-BaFe12O19/Ni0.8Zn0.2Fe2O4 ferrite nanocomposite is -19.7 dB(-21.5 dB) at the frequency of 7.3 GHz (10.7 GHz).

  7. Quaternary system SrO-CaO-BaO-CuO at 950 C. 1: Phase relationships in the limiting ternary system SrO-CaO-CuO

    SciTech Connect

    Lebbou, K.; Abraham, R.; Trosset, S.; Cohen-Adad, M.T.; Jorda, J.L.

    1997-08-01

    Knowledge of the succession of phases in dependence on composition and temperature is essential in order to control the formation of pure superconducting thallium-based cuprates (Tl/Pb){sub m}Sr{sub 2}Ca{sub n{minus}1}Cu{sub n}O{sub x}. Mixtures (Sr/Ba)O-CaO-CuO are used as precursors in their elaboration. In the first stage of their investigation, the ternary system SrO-CaO-CuO has been reinvestigated at 950 C, in order to determine precisely the phase relationships in the ternary subsystem. In the second stage, the study will be extended to the quaternary BaO-SrO-CaO-CuO system. The present paper reports the results concerning the polyphased fields in the ternary system under isothermal conditions at 950 C under 1 bar of oxygen. A comparison with literature data shows that new domains are observed. Solid phases mentioned in the literature are confirmed, but the observed three phases equilibria are not the same.

  8. First-Principles Study of the Structural, Optical, Dynamical and Thermodynamic Properties of BaZnO2 Under Pressure

    NASA Astrophysics Data System (ADS)

    Wang, Yi-Xian; Hu, Cui-E.; Chen, Yang-Mei; Cheng, Yan; Ji, Guang-Fu

    2016-11-01

    The structural, optical, dynamical, and thermodynamic properties of BaZnO2 under pressure are studied based on the density functional theory. The calculated structural parameters are consistent with the available experimental data. In the ground state, the electronic band structure and density of states indicate that BaZnO2 is an insulator with a direct gap of 2.2 eV. The Mulliken charges are also analyzed to characterize the bonding property. After the structural relaxation, the optical properties are studied. It is found that the dielectric function of E Vert x and EVert y are isotropic, whereas the EVert x and EVert z are anisotropic. The effect of pressure on the energy-loss function in the ultraviolet region becomes more obvious as the pressure increases. Furthermore, the dynamical properties under different pressures are investigated using the finite displacement method. We find that the P3121 phase of BaZnO2 is dynamically stable under the pressure ranging from 0 GPa to 30 GPa. The phonon dispersion curves, phonon density of states, vibrational modes and atoms that contribute to these vibrations at {{\\varvec{Γ }}} point under different pressures are also reported in this work. Finally, by employing the quasi-harmonic approximation, the thermodynamic properties such as the temperature dependence of the thermal expansion coefficient, specific heat, entropy and Gibbs free energy under different pressures are investigated. It is found that the influences of the temperature on the heat capacity are much more significant than that of the pressure on it.

  9. Oxygen Partial Pressure during Pulsed Laser Deposition: Deterministic Role on Thermodynamic Stability of Atomic Termination Sequence at SrRuO3/BaTiO3 Interface.

    PubMed

    Shin, Yeong Jae; Wang, Lingfei; Kim, Yoonkoo; Nahm, Ho-Hyun; Lee, Daesu; Kim, Jeong Rae; Yang, Sang Mo; Yoon, Jong-Gul; Chung, Jin-Seok; Kim, Miyoung; Chang, Seo Hyoung; Noh, Tae Won

    2017-08-16

    With recent trends on miniaturizing oxide-based devices, the need for atomic-scale control of surface/interface structures by pulsed laser deposition (PLD) has increased. In particular, realizing uniform atomic termination at the surface/interface is highly desirable. However, a lack of understanding on the surface formation mechanism in PLD has limited a deliberate control of surface/interface atomic stacking sequences. Here, taking the prototypical SrRuO3/BaTiO3/SrRuO3 (SRO/BTO/SRO) heterostructure as a model system, we investigated the formation of different interfacial termination sequences (BaO-RuO2 or TiO2-SrO) with oxygen partial pressure (PO2) during PLD. We found that a uniform SrO-TiO2 termination sequence at the SRO/BTO interface can be achieved by lowering the PO2 to 5 mTorr, regardless of the total background gas pressure (Ptotal), growth mode, or growth rate. Our results indicate that the thermodynamic stability of the BTO surface at the low-energy kinetics stage of PLD can play an important role in surface/interface termination formation. This work paves the way for realizing termination engineering in functional oxide heterostructures.

  10. Microstructural and dielectric properties of Ba0.6Sr0.4Ti1-xZrxO3 based combinatorial thin film capacitors library

    NASA Astrophysics Data System (ADS)

    Liu, Guozhen; Wolfman, Jérôme; Autret-Lambert, Cécile; Sakai, Joe; Roger, Sylvain; Gervais, Monique; Gervais, François

    2010-12-01

    Epitaxial growth of Ba0.6Sr0.4Ti1-xZrxO3 (0≤x≤0.3) composition spread thin film library on SrRuO3/SrTiO3 layer by combinatorial pulsed laser deposition (PLD) is reported. X-ray diffraction and energy dispersive x-ray spectroscopy studies showed an accurate control of the film phase and composition by combinatorial PLD. A complex evolution of the microstructure and morphology with composition of the library is described, resulting from the interplay between epitaxial stress, increased chemical pressure, and reduced elastic energy upon Zr doping. Statistical and temperature-related capacitive measurements across the library showed unexpected variations in the dielectric properties. Doping windows with enhanced permittivity and tunability are identified, and correlated to microstructural properties.

  11. Effects of BaTiO3 and SrTiO3 as the buffer layers of epitaxial BiFeO3 thin films

    NASA Astrophysics Data System (ADS)

    Feng, Yu; Wang, Can; Tian, ShiLu; Zhou, Yong; Ge, Chen; Guo, HaiZhong; He, Meng; Jin, KuiJuan; Yang, GuoZhen

    2017-06-01

    BiFeO3 (BFO) thin films with BaTiO3 (BTO) or SrTiO3 (STO) as buffer layer were epitaxially grown on SrRuO3-covered SrTiO3 substrates. X-ray diffraction measurements show that the BTO buffer causes tensile strain in the BFO films, whereas the STO buffer causes compressive strain. Different ferroelectric domain structures caused by these two strain statuses are revealed by piezoelectric force microscopy. Electrical and magnetical measurements show that the tensile-strained BFO/BTO samples have reduced leakage current and large ferroelectric polarization and magnetization, compared with compressively strained BFO/STO. These results demonstrate that the electrical and magnetical properties of BFO thin films can be artificially modified by using a buffer layer.

  12. Shrinking of anionic polyacrylate coils induced by Ca2+, Sr2+ and Ba2+: A combined light scattering and ASAXS study

    NASA Astrophysics Data System (ADS)

    Schweins, R.; Goerigk, G.; Huber, K.

    2006-10-01

    Anionic polyacrylate chains (NaPA) form precipitates if alkaline earth cations are added in stoichiometric amounts. Accordingly, precipitation thresholds were established for three different alkaline earth cations Ca2+, Sr2+ and Ba2+. Close to the precipitation threshold, the NaPA chains significantly decrease in size. This shrinking process was followed by means of combined static and dynamic light scattering. Intermediates were generated by varying the ratio [MCl2]/[NaPA] with M denoting the respective alkaline earth cation. All experiments were performed at an inert salt level of 0.01M NaCl. Similar coil-to-sphere transitions could be observed with all three alkaline earth cations Ca2+, Sr2+ and Ba2+. Based on these findings, supplementary conventional and anomalous small-angle X-ray scattering experiments using selected intermediates close to the precipitation threshold of SrPA were performed. The distribution of Sr counterions around the polyacrylate chains in aqueous solution provided the desired scattering contrast. Energy-dependent scattering experiments enabled successful separation of the pure-resonant terms, which solely stem from the counterions. The Sr2+ scattering roughly reflects the monomer distribution of the polyacrylate chains. Different ratios of the concentrations of [SrCl2]/[NaPA] revealed dramatic changes in the scattering curves. The scattering curve at the lowest ratio indicated an almost coil-like behaviour, while at the higher ratios the scattering curves supported the model of highly contracted polymer chains. Most of X-ray scattering experiments on intermediate states revealed compact structural elements which were significantly smaller than the respective overall size of the NaPA particles.

  13. Shrinking of anionic polyacrylate coils induced by Ca2+, Sr2+ and Ba2+: a combined light scattering and ASAXS study.

    PubMed

    Schweins, R; Goerigk, G; Huber, K

    2006-10-01

    Anionic polyacrylate chains (NaPA) form precipitates if alkaline earth cations are added in stoichiometric amounts. Accordingly, precipitation thresholds were established for three different alkaline earth cations Ca(2+), Sr(2+) and Ba(2+). Close to the precipitation threshold, the NaPA chains significantly decrease in size. This shrinking process was followed by means of combined static and dynamic light scattering. Intermediates were generated by varying the ratio [MCl(2)]/[NaPA] with M denoting the respective alkaline earth cation. All experiments were performed at an inert salt level of 0.01M NaCl. Similar coil-to-sphere transitions could be observed with all three alkaline earth cations Ca(2+), Sr(2+) and Ba(2+). Based on these findings, supplementary conventional and anomalous small-angle X-ray scattering experiments using selected intermediates close to the precipitation threshold of SrPA were performed. The distribution of Sr counterions around the polyacrylate chains in aqueous solution provided the desired scattering contrast. Energy-dependent scattering experiments enabled successful separation of the pure-resonant terms, which solely stem from the counterions. The Sr(2+) scattering roughly reflects the monomer distribution of the polyacrylate chains. Different ratios of the concentrations of [ SrCl(2)]/[NaPA] revealed dramatic changes in the scattering curves. The scattering curve at the lowest ratio indicated an almost coil-like behaviour, while at the higher ratios the scattering curves supported the model of highly contracted polymer chains. Most of X-ray scattering experiments on intermediate states revealed compact structural elements which were significantly smaller than the respective overall size of the NaPA particles.

  14. Comparative Investigation on the Photocatalytic Degradation of 2,4,6-Trichlorophenol Using Pure and M-Doped (M = Ba, Ce, Mg) ZnO Spherical Nanoparticles.

    PubMed

    Selvam, N Clament Sagaya; Jesudoss, S K; Rajan, P Iyyappa; Kennedy, L John; Vijaya, J Judith

    2015-08-01

    Pure and M-doped (Ba, Ce, Mg) ZnO spherical nanoparticles are synthesized by a simple low temperature co-precipitation method, and were characterized by X-ray diffraction (XRD), high resolution scanning electron microscopy (HR-SEM), and high resolution transmission electron microscopy (HR-TEM). The XRD results showed the formation of single phase ZnO with wurtzite crystal structure and the electron microscopic studies supported the validity for the formation of pure and M-doped (Ba, Ce, Mg) ZnO spherical nanoparticles. Photocatalytic degradation (PCD) of 2,4,6-trichlorophenol, a potent endocrine disrupting chemical in aqueous medium was investigated by both pure and M-doped (Ba, Ce, Mg) ZnO spherical nanoparticles under UV-light irradiation. The influence of the metal dopants on the structure and photocatalytic (PC) activity of ZnO was investigated systematically. Furthermore, the effect of different parameters such as 2,4,6-trichlorophenol concentration, photocatalyst amount, pH and dopant wt% on the resulting PC activity was investigated. The kinetics of the photocatalytic degradation of 2,4,6-trichlorophenol was found to follow the pseudo-first order reaction, and it was established that Ba-doped ZnO is photocatalytically more active than the other photocatalysts.

  15. Cytocompatibility and early inflammatory response of human endothelial cells in direct culture with Mg-Zn-Sr alloys.

    PubMed

    Cipriano, Aaron F; Sallee, Amy; Tayoba, Myla; Cortez Alcaraz, Mayra C; Lin, Alan; Guan, Ren-Guo; Zhao, Zhan-Yong; Liu, Huinan

    2017-01-15

    Crystalline Mg-Zinc (Zn)-Strontium (Sr) ternary alloys consist of elements naturally present in the human body and provide attractive mechanical and biodegradable properties for a variety of biomedical applications. The first objective of this study was to investigate the degradation and cytocompatibility of four Mg-4Zn-xSr alloys (x=0.15, 0.5, 1.0, 1.5wt%; designated as ZSr41A, B, C, and D respectively) in the direct culture with human umbilical vein endothelial cells (HUVEC) in vitro. The second objective was to investigate, for the first time, the early-stage inflammatory response in cultured HUVECs as indicated by the induction of vascular cellular adhesion molecule-1 (VCAM-1). The results showed that the 24-h in vitro degradation of the ZSr41 alloys containing a β-phase with a Zn/Sr at% ratio ∼1.5 was significantly faster than the ZSr41 alloys with Zn/Sr at% ∼1. Additionally, the adhesion density of HUVECs in the direct culture but not in direct contact with the ZSr41 alloys for up to 24h was not adversely affected by the degradation of the alloys. Importantly, neither culture media supplemented with up to 27.6mM Mg(2+) ions nor media intentionally adjusted up to alkaline pH 9 induced any detectable adverse effects on HUVEC responses. In contrast, the significantly higher, yet non-cytotoxic, Zn(2+) ion concentration from the degradation of ZSr41D alloy was likely the cause for the initially higher VCAM-1 expression on cultured HUVECs. Lastly, analysis of the HUVEC-ZSr41 interface showed near-complete absence of cell adhesion directly on the sample surface, most likely caused by either a high local alkalinity, change in surface topography, and/or surface composition. The direct culture method used in this study was proposed as a valuable tool for studying the design aspects of Zn-containing Mg-based biomaterials in vitro, in order to engineer solutions to address current shortcomings of Mg alloys for vascular device applications.

  16. One-dimensional SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrite nanofibers and enhancement magnetic property.

    PubMed

    Song, Fuzhan; Shen, Xiangqian; Liu, Mingquan; Xiang, Jun

    2011-08-01

    SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrite nanofibers of diameters about 100 nm with mass ratio 1:1 have been prepared by the electrospinning and calcination process. The SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrites are formed after calcined at 700 degrees C for 2 hours. The composite ferrite nanofibers are fabricated from nanosized Ni(0.5)Zn(0.5)Fe2O4 and SrFe12O19 ferrite grains with a uniform phase distribution. The ferrite grain size increases from about 11 to 36 nm for Ni(0.5)Zn(0.5)Fe12O4 and 24 to 56 nm for SrFe12O19 with the calcination temperature increasing from 700 to 1100 degrees C. With the ferrite grain size increasing, the coercivity (Hc) and remanence (Mr) for the SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrite nanofibers initially increase, reaching a maximum value of 118.4 kA/m and 31.5 Am2/kg at the grain size about 40 nm (SrFe12O19) and 24 nm (Ni(0.5)Zn(0.5)Fe2O4) respectively, and then show a reduction tendency with a further increase of the ferrite grain size. The specific saturation magnetization (Msh) of 63.2 Am2/kg for the SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrite nanofibers obtained at 900 degrees C for 2 hours locates between that for the single SrFe12O19 ferrite (48.5 Am2/kg) and the single Ni(0.5)Zn(0.5)Fe2O4 ferrite (69.3 Am2/kg). In particular, the Mr value 31.5 Am2/kg for the SrFe12O19/Ni(0.5)Zn(0.5)Fe2O4 composite ferrite nanofibers is much higher than that for the individual SrFe12O19 (25.9 Am2/kg) and Ni(0.5)Zn(0.5)Fe2O4 ferrite (11.2 Am2/kg). These enhanced magnetic properties for the composite ferrite nanofibers can be attributed to the exchange-coupling interaction in the composite.

  17. Superconductivity, magnetism and oxygen nonstoichiometry of Ba2Y( Cu1- xMx) 3Oy (M = Zn and Ni)

    NASA Astrophysics Data System (ADS)

    Liang, Ruixing; Nakamura, Takahiro; Kawaji, Hitoshi; Itoh, Mitsuru; Nakamura, Tetsurō

    1990-09-01

    The effects of both the atomic substitutions and the change of oxygen content on the superconductivity and magnetic properties of Ba2Y( Cu1- xMx) 3Oy (M = Zn and Ni) solid solution systems have been investigated. The Ni ion in the solid solution was found to be trivalent and have a magnetic moment of ≈ 2.4μ B. At the same oxygen content, the substitution of Cu by Zn always gives a steeper depression of Tc than the substitution by Ni. The dependence of Tc on the oxygen content indicates that Tc is not depressed by the change of the hole concentration through the substitutions of Cu by Zn and Ni. The Zn ion in the solid solution plays a similar role to the over-doped holes in the two aspects of (i) weakening significantly the antiferromagnetic correlation among Cu spins and (ii) inducing a deviation of the band structure from the simple Mott-Hubbard model.

  18. Structural and optical study of γ –BIMEVOX; ME: Ba{sup 2+} and Sr{sup 2+}

    SciTech Connect

    Gupta, Sakshi Singh, K.

    2015-05-15

    Bismuth oxide based compounds, such as Bi{sub 4}V{sub 2}O{sub 11-δ} (BIVOX), exhibit Aurivillus type of interleaving arrangement of (Bi{sub 2}O{sub 2}){sup 2+} and (VO{sub 3}□{sub 0.5}){sup 2-} (□: oxygen vacancies). Bi{sub 4}V{sub 2}O{sub 11-δ,} is known to have three kinds of temperature dependent interconvertible polymorphs α (monoclinic), β (orthorhombic) and γ (tetragonal). Out of all the three phases, the γ – phase is highly disordered and hence, is the most conductive one which can be stabilized by proper lower valence cation (ME) doping at V site. Bi{sub 4}V{sub 1.90}ME{sub 0.20}O{sub 11-δ} (ME: Ba{sup 2+} and Sr{sup 2+}) were prepared via splat quenching technique. The required compositions were melted at 1250 °C in an electric furnace. The as quenched samples were sintered at 800 °C for 12 hours (h). The formed phases were analyzed using X-ray diffraction on quenched and sintered samples, the peak at 32{sup °} is found to be singlet in all the samples which confirms the presence of γ-phase. Hence, the stabilization of γ-phase with tetragonal structure was found to have taken place with doping and quenching. These samples are also studied by FT-IR and UV/vis spectroscopy to investigate the effect of dopants on structure and band gaps respectively.

  19. Dual ferroic properties of hexagonal ferrite ceramics BaFe12O19 and SrFe12O19

    NASA Astrophysics Data System (ADS)

    Kostishyn, V. G.; Panina, L. V.; Timofeev, A. V.; Kozhitov, L. V.; Kovalev, A. N.; Zyuzin, A. K.

    2016-02-01

    Dual ferroic properties of a strong magnetism and large ferroelectricity have been observed in barium BaFe12O19 and strontium SrFe12O19 hexaferrite ceramics. The samples were fabricated by a modified ceramic technique from highly purified raw materials with addition of boron oxide allowing the control of grain size and enhancement of bulk resistivity. Whereas the samples of PbFe12O19 fabricated by the same technological method did not have sufficient electric resistivity to support an electric field and did not exhibit the ferroelectric properties. The structure of the samples examined by X-ray diffraction is consistent with a single hexagonal phase. The grains are randomly oriented with the average grain size of 300-400 nm coated with boron oxide. The magnetic properties are characterised by standard ferrimagnetic behavior with the Neel temperature of about 450 °C. Large spontaneous polarization was observed with the maximal values of 45-50 μC/cm2 under an applied electric field of 100-300 kV/m. A strong coupling between magnetic and electric ordering was confirmed by measuring the magnetoelectric (ME) parameter and magnetodielectric ratio. These ME characteristics are more advanced than those for well-known room temperature multiferroic BiFeO3. Furthermore, by applying an electric field, the manipulation of magnetization in the range of up to 9% was observed, which is even greater than in some substituted hexaferrites with a non-collinear magnetic structure. The obtained results on electrical polarization are similar to the values reported for the corresponding hexaferrites sintered by polymer precursor technique. This suggests a promising potential of M-type hexaferrite ceramics in devices utilizing magnetoelectric coupling.

  20. The temperature dependence of magnetic properties of Zn-Ti substituted Ba-ferrite particles for magnetic recording

    NASA Astrophysics Data System (ADS)

    Wei, Fulin; Lu, Mai; Yang, Zheng

    1999-01-01

    It was shown that the morphological and magnetic properties of Zn-Ti doped Ba-ferrite particles are suitable for magnetic recording. In order to clarify the temperature dependence of the magnetic properties of these particles, BaFe 10.8-2 xZn xTi xO 19 particles with the nominal composition x=0.0-0.50 were prepared by synthesis from salt melts. The saturation magnetization Ms, magnetic anisotropy field HA and magnetocrystalline anisotropy constant K1 of the above-mentioned particle assemblies were estimated by using the law of approach to saturation of polycrystalline ferrite, and the Curie temperature Tc was determined by the thermodynamic relation. With an increasing x, the Tc decreased, while the lattice parameters a, c and M s have an unnoticeable maximum at x=0.20. The Hc( T) curves of samples with different x show that all particles have positive temperature coefficient in the vicinity of room temperature, which decreases with increasing x. The Ms( T), H A(T) and K 1(T) were determined and discussed.

  1. Effect of doping on the surface modification of nebulizer sprayed Ba x Zn1-x O nanocrystalline thin films

    NASA Astrophysics Data System (ADS)

    Gopala Krishnan, V.; Elango, P.; Ragavendar, M.; Sathish, P.; Gowrisankar, G.

    2017-03-01

    The influence of Ba doped zinc oxide films were investigated by nebulizer spray pyrolysis technique at 673 K. X-ray diffraction reveals the polycrystalline hexagonal (wurtzite) crystal structure with (0 0 2) preferential orientation. Energy dispersive spectroscopy confirms the presence of Ba, Zn and O elements in the films. Field emission scanning electron microscopy shows that the surface morphology of the nanocrystalline films were changed from spherical shape structure to flake net-like shape and sprout like spherical structure with average grain size is ~100 nm due to the critical doping concentration. PL spectra prominent peaks corresponding to near band edge UV emission and intrinsic defect of the visible blue light region and defect related deep level green emission regions were discussed. The films are highly transparent in the visible region with a transmittance higher than 74%, and have an optical band gap energy values are increased from 3.22 eV to 4.02 eV depending on the Ba doping concentration. Interparticle like grains, grain boundary effect of deposited films is studied by complex impedance spectroscopy.

  2. The Ternary Alkaline-Earth Metal Manganese Bismuthides Sr2MnBi2 and Ba2Mn1-xBi2 (x ≈ 0.15).

    PubMed

    Ovchinnikov, Alexander; Saparov, Bayrammurad; Xia, Sheng-Qing; Bobev, Svilen

    2017-10-02

    Two new ternary manganese bismuthides have been synthesized and their structures established based on single-crystal X-ray diffraction methods. Sr2MnBi2 crystallizes in the orthorhombic space group Pnma (a = 16.200(9) Å, b = 14.767(8) Å, c = 8.438(5) Å, V = 2018(2) Å(3); Z = 12; Pearson index oP60) and is isostructural to the antimonide Sr2MnSb2. The crystal structure contains corrugated layers of corner- and edge-shared [MnBi4] tetrahedra and Sr atoms enclosed between these layers. Electronic structure calculations suggest that Sr2MnBi2 is a magnetic semiconductor possessing Mn(2+) (high-spin d(5)) ions, and its structure can be rationalized within the Zintl concept as [Sr(2+)]2[Mn(2+)][Bi(3-)]2. The temperature dependence of the resistivity shows behavior consistent with a degenerate semiconductor/poor metal, and magnetic susceptibility measurements reveal a high degree of frustration resulting from the two-dimensional nature of the structure. The compositionally similar Ba2Mn1-xBi2 (x ≈ 0.15) crystallizes in a very different structure (space group Imma, a = 25.597(8) Å, b = 25.667(4) Å, c = 17.128(3) Å, V = 11253(4) Å(3); Z = 64; Pearson index oI316) with its own structure type. The complex structure boasts Mn atoms in a variety of coordination environments and can be viewed as consisting of two interpenetrating 3D frameworks, linked by Bi-Bi bonds. Ba2Mn1-xBi2 can be regarded as a highly reduced compound with anticipated metallic behavior.

  3. Internal electrical and strain fields influence on the electrical tunability of epitaxial Ba0.7Sr0.3TiO3 thin films

    NASA Astrophysics Data System (ADS)

    Bagdzevicius, S.; Mackeviciute, R.; Ivanov, M.; Fraygola, B.; Sandu, C. S.; Setter, N.; Banys, J.

    2016-03-01

    Perpetual demand for higher transfer speed and ever increasing miniaturization of radio and microwave telecommunication devices demands new materials with high electrical tunability. We have investigated built in electrical and strain fields' influence on the electrical tunability in Ba0.7Sr0.3TiO3 thin film hetero-system grown by pulsed laser deposition technique. We observed the built in electrical field by local piezo-force microscopy (as deflected hysteresis loops) and macroscopic impedance analysis (as asymmetric tunability curves), with the calculated 88 kV/cm built in field at room temperature. Negative -1.4% misfit strain (due to clamping by the substrate) enhanced ferroelectric phase transition temperature in Ba0.7Sr0.3TiO3 thin film by more than 300 K. Built in fields do not deteriorate functional film properties—dielectric permittivity and tunability are comparable to the best to date values observed in Ba1-xSrxTiO3 thin films.

  4. ABiO2X (A = Cd, Ca, Sr, Ba, Pb; X = halogen) Sillen X1 Series: Polymorphism Versus Optical Properties.

    PubMed

    Olchowka, Jacob; Kabbour, Houria; Colmont, Marie; Adlung, Matthias; Wickleder, Claudia; Mentré, Olivier

    2016-08-01

    The Sillen X1 series of Bi(3+)A(2+)O2X (A = Cd, Ca, Sr, Ba, Pb; X = Cl, Br, I) compounds is composed of three main crystallographic types, namely, the tetragonal form (space group (S.G.) I4/mmm), the orthorhombic form (S.G. Cmcm), and the monoclinic form (S.G. P21/m). Because of Bi(3+)/A(2+) disorder the Bi(3+) based photoluminescence (PL) of the tetragonal polytypes is quenched at room temperature (RT). In the two other ordered forms, the Bi-O-Bi connectivity is different but limited, such that bluish/greenish emission occurs at RT in the monoclinic CdBiO2Cl and CaBiO2Cl and orthorhombic SrBiO2Cl and BaBiO2Cl phases. The crystal structure of BaBiO2Br was refined in the orthorhombic Cmcm space group and also shows RT emission. Focusing on the RT luminescent activity as a key parameter, the PL active compounds were investigated by means of density functional theory calculations and UV-visible reflectance spectroscopy. The influence of A and X ions on the excitation energy is discussed by analyzing the A-O-Bi and Bi-X bonding schemes and gives some insights for rational tuning of both the excitation and emission energies.

  5. Alkaline-alkaline earth fluoride carbonate crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as nonlinear optical materials.

    PubMed

    Zou, Guohong; Ye, Ning; Huang, Ling; Lin, Xinsong

    2011-12-14

    A new series of alkaline-alkaline earth fluoride carbonates (KSrCO(3)F, RbSrCO(3)F, KCaCO(3)F, RbCaCO(3)F, CsCaCO(3)F, and Cs(3)Ba(4)(CO(3))(3)F(5)) were synthesized by spontaneous crystallization with molten fluxes. Their crystal structures, except for Cs(3)Ba(4)(CO(3))(3)F(5), exhibit the stacking of [AF](∞) (A = K, Rb, Cs) and [B(CO(3))](∞) (B = Ca, Sr) layers, and the coplanar alignment of [CO(3)] triangles. The results from the UV-vis diffuse reflectance spectroscopy study of the powder samples indicated that the short-wavelength absorption edges were all below 200 nm, except for Cs(3)Ba(4)(CO(3))(3)F(5), which is about 210 nm. Second-harmonic generation (SHG) on polycrystalline samples was measured using the Kurtz and Perry technique, which indicated that these carbonates are all phase-matchable materials in both visible and the UV region, and their measured SHG coefficients were about 3.33, 3.33, 3.61, 1.11, 1.11, and 1.20 times as large as that of d(36) (KDP), respectively. © 2011 American Chemical Society

  6. Synthesis of high intensity green emitting (Ba,Sr)SiO4:Eu2+ phosphors through cellulose assisted liquid phase precursor process

    NASA Astrophysics Data System (ADS)

    Humayoun, Usama Bin; Song, Young-Hyun; Lee, MinJi; Masato, Kakihana; Abe, Hiroshi; Toda, Kenji; Sato, Yasushi; Masaki, Takaki; Yoon, Dae-Ho

    2016-01-01

    Green emitting phosphor (Ba1-x,Sr1-x)SiO4:2xEu2+, x = 0.03, 0.05, 0.1, and 0.15 were synthesized through a Liquid Phase Precursor Process (LPP). Liquid phase precursor method is reported to result in phosphors with markedly increased emission intensities compared to other synthesis methods. Here microcrystalline cellulose (MCC) and hydroxypropyl cellulose (HPC) templates were studied to achieve high efficiency green phosphors. The phase formation was investigated by XRD analysis which showed the conformation of the Ba2SiO4 (JCPDS card number 761631) phase. The obtained samples exhibited broad excitation spectra with maximum at 430 nm and a green emission centered around 520 nm. An optimized dopant concentration was selected and the effect of two different types of cellulose, i.e. MCC and HPC templates on the emission properties was considered. It was found that the samples synthesized using HPC and fired at 1050 °C under a reducing atmosphere, showed a high intensity of almost 2 times that of the MCC sample. Further experiments were conducted by varying viscosity, particle weight, and molecular weight of the HPC template. It was found that the green emission from the (Ba,Sr)SiO4:Eu2+ increased with the increase in viscosity and molecular weight of the template.

  7. Influences of alkaline earth metal substitution on the crystal structure and physical properties of magnetic RuSr1.9A0.1GdCu2O8 (A = Ca, Sr, and Ba) superconductors.

    PubMed

    Hur, Su Gil; Park, Dae Hoon; Hwang, Seong-Ju; Kim, Seung Joo; Lee, J H; Lee, Sang Young

    2005-11-24

    We have investigated the effect of alkaline earth metal substitution on the crystal structure and physical properties of magnetic superconductors RuSr(1.9)A(0.1)GdCu(2)O(8) (A = Ca, Sr, and Ba) in order to probe an interaction between the magnetic coupling of the RuO(2) layer and the superconductivity of the CuO(2) layer. X-ray diffraction and X-ray absorption spectroscopic analyses demonstrate that the isovalent substitution of Sr ions with Ca or Ba ions makes it possible to tune the interlayer distance between the CuO(2) and the RuO(2) layers. From the measurements of electrical resistance and magnetic susceptibility, it was found that, in contrast to negligible change of magnetization, both of the alkaline earth metal substitutions lead to a notable depression of zero-resistance temperature T(c) (DeltaT(c) approximately 17-19 K). On the basis of the absence of a systematic correlation between the T(c) and the interlayer distance/magnetization, we have concluded that the internal magnetic field of the RuO(2) layer has insignificant influence on the superconducting property of the CuO(2) layer in the ruthenocuprate.

  8. Interfacial dislocations in (111) oriented (Ba0.7Sr0.3)TiO3 films on SrTiO3 single crystal

    SciTech Connect

    Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; Kamo, Takafumi; Funakubo, Hiroshi; Wu, Di; Xin, Huolin L.; Su, Dong

    2015-10-08

    In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO3 films grown on (111)-oriented SrTiO3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba0.7Sr0.3)TiO3 films.

  9. Microwave Dielectric Properties of ZnNb2O6-SrTiO3 Stacked Resonators

    NASA Astrophysics Data System (ADS)

    Liou, Yi-Cheng; Wu, Yi-Cheng

    2017-04-01

    Microwave dielectric properties of ZnNb2O6-SrTiO3 (ZN/ST) stacked resonators were investigated. ZN/ST stacked resonators with a zero τ f have been obtained by adjusting the volume percentage of ST. Resonant frequency decreased from 9.27 GHz for 8.57% ST to 4.94 GHz for 27.27% ST. ɛ r increased from 24.6 for 8.57% ST to 66.2 for 27.27% ST. Q × f rapidly decreased from 48,230 GHz for 8.57% ST to 7798 GHz for 15.79% ST and then 962 GHz for 27.27% ST. A temperature-stable ZN/ST stacked resonator with τ f = 0 ppm/°C was obtained for 8.57% ST. τ f increased to 678 ppm/°C for 27.27% ST. Dielectric properties: ɛ r = 24.6, Q × f = 48,230 GHz and τ f = 0 ppm/°C are obtained for a ZN/ST stacked resonator with 8.57% ST.

  10. The structural and in-plane dielectric/ferroelectric properties of the epitaxial (Ba, Sr)(Zr, Ti)O{sub 3} thin films

    SciTech Connect

    Chan, N. Y. Wang, Y.; Chan, H. L. W.; Wang, D. Y.; Dai, J. Y.

    2014-06-21

    Epitaxial (Ba{sub 1-x}Sr{sub x})(Zr{sub 0.1}Ti{sub 0.9})O{sub 3} (BSZT, x = 0 – 0.45) thin films were deposited on (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.35} (LSAT) substrates by pulsed laser deposition. The experimental results demonstrate that the structural, dielectric, and ferroelectric properties of the BSZT thin films were greatly dependent on the strontium content. The BSZT thin films transformed from tetragonal to cubic phase when x ≥ 0.35 at room temperature. The Curie temperature and room-temperature remnant polarization decrease with increasing strontium concentration. The optimal dielectric properties were found in (Ba{sub 0.55}Sr{sub 0.45})(Zr{sub 0.1}Ti{sub 0.9})O{sub 3} thin films which is in paraelectric state, having tunability of 47% and loss tangent of 0.0338 under an electric field of 20 MV/m at 1 MHz. This suggests that BSZT thin film is a promising candidate for tunable microwave device applications.

  11. Investigation of Carbon ion-implanted waveguides in tungsten bronze (Ca0.28Ba0.72)0.25(Sr0.6Ba0.4)0.75Nb2O6 single crystal

    NASA Astrophysics Data System (ADS)

    Jiao, Yang; Wang, Chuan-Kui; Li, Zong-Liang; Ren, Ying-Ying

    2014-09-01

    Planar optical waveguides were fabricated in (Ca0.28Ba0.72)0.25(Sr0.6Ba0.4)0.75Nb2O6 (CSBN25) crystal by 6.0-MeV C+ ion implantation with fluences of 2, 4 and 6 × 1014 ions/cm2 at room temperature. The mode parameters, refractive indices profiles are measured and the refractive indices behavior in the waveguide region is discussed. The shape of nuclear energy loss distribution of the C+ implantation was similar to those of the waveguide refractive index profiles, which means an inherent relationship between the waveguide formation and the energetic energy deposition. The extraordinary refractive index has a small positive change in the surface region after the implantation.

  12. Unification of the negative electrocaloric effect in Bi1/2Na1/2TiO3-BaTiO3 solid solutions by Ba1/2Sr1/2TiO3 doping

    NASA Astrophysics Data System (ADS)

    Uddin, Sarir; Zheng, Guang-Ping; Iqbal, Yaseen; Ubic, Rick; Yang, Junhe

    2013-12-01

    The microscopic mechanisms of the negative electrocaloric effect (ECE) of the single-phase (1-x)(0.94Bi1/2Na1/2TiO3-0.06BaTiO3)-xBa1/2Sr1/2TiO3 (BNT-BT-BST) perovskite solid solutions fabricated via the sol-gel technique are explored in this study. Dielectric and mechanical relaxation analyses are employed to investigate the ferroelectric and structural transitions of the samples. The electrocaloric properties of the samples were measured by thermodynamics Maxwell relations. The difference between the depolarization temperature (Td) and the maximum dielectric constant temperature (Tm) was found to decrease with increasing BST content. Doping with BST stabilized the ferroelectric phase along with unifying the EC temperature changes (ΔT) to only negative values. The origin of the uniform negative ECE of BNT-BT-BST is discussed.

  13. Sr0.95Zn0.05Se:Eu2+ and CdSe/ZnS nanocrystals hybrid phosphors for enhancing color rendering index of white light emitting diode.

    PubMed

    Chung, Wonkeun; Jung, Hyunchul; Lee, Chang Hun; Kim, Sung Hyun

    2012-07-01

    In this study, the yellow emitting cubic structure of Sr0.95Zn0.05Se:Eu2+ phosphors were prepared by high temperature solid state reaction. The Sr0.95Zn0.05Se:Eu2+ phosphors exhibited strong excitation intensity under 400-460 nm region, and broad band emission appeared at around 545-600 nm due to the d-f transition of Eu2+. To enhance the red emission, HDA/TOP/TOPO capped CdSe/ZnS NCs were synthesized via fast nucleation and slow growth method. The narrow emission peak was located at 615 nm with 69% of high quantum yield. Bright white emission was generated by combining a 460 nm InGaN LED chip with CdSe/ZnS NCs and Sr0.95Zn0.05Se:Eu2+ hybrid phosphors. The fabricated white LEDs showed warm white light with acceptable CIE chromaticity coordinate variation from (0.343, 0.255) at 20 mA to (0.335, 0.250) at 50 mA. The addition of CdSe/ZnS NCs contributed to the extension of white light spectrum by supplement of the red region. The color rendering index was largely enhanced from 41.7 to 79.7 compared to the Sr0.95Zn0.05Se:Eu2+ based phosphors white LED.

  14. Effect of Wood Aging on Wine Mineral Composition and (87)Sr/(86)Sr Isotopic Ratio.

    PubMed

    Kaya, Ayse D; Bruno de Sousa, Raúl; Curvelo-Garcia, António S; Ricardo-da-Silva, Jorge M; Catarino, Sofia

    2017-06-14

    The evolution of mineral composition and wine strontium isotopic ratio (87)Sr/(86)Sr (Sr IR) during wood aging were investigated. A red wine was aged in stainless steel tanks with French oak staves (Quercus sessiliflora Salisb.), with three industrial scale replicates. Sampling was carried out after 30, 60, and 90 days of aging, and the wines were evaluated in terms of general analysis, phenolic composition, total polysaccharides, multielement composition, and Sr IR. Li, Be, Mg, Al, Sc, Ti, V, Mn, Co, Ni, Cu, Zn, Ga, Ge, As, Rb, Sr, Y, Zr, Mo, Sb, Cs, Ba, Pr, Nd, Sm, Eu, Dy, Ho, Er, Yb, Lu, Tl, and Pb elements and (87)Sr/(86)Sr were determined by quadrupole inductively coupled plasma mass spectrometry (Q-ICP-MS) and Na, K, Ca, and Fe by flame atomic absorption spectrometry (FAAS). Two-way ANOVA was applied to assess wood aging and time effect on Sr IR and mineral composition. Wood aging resulted in significantly higher concentrations of Mg, V, Co, Ni, and Sr. At the end of the aging period, wine exhibited statistically identical Sr IR compared to control. Study suggests that wood aging does not affect (87)Sr/(86)Sr, not precluding the use of this parameter for wine traceability purposes.

  15. Structural and dielectric properties of Sr3(MgTa2)O9 and Sr3(ZnTa2)O9

    NASA Astrophysics Data System (ADS)

    Hoque, Md. M.; Dutta, Alo; Kumar, S.; Sinha, T. P.

    2015-07-01

    Herein, we report the crystal structures and morphological properties of Sr3(MgTa2)O9 (SMT) and Sr3(ZnTa2)O9 (SZT) synthesized by solid state ceramic method along with the results of alternating current impedance spectroscopic (ACIS) study in a frequency range from 50 Hz to 1 MHz at selective temperatures between 393 and 573 K. The crystal structures of SMT and SZT have been determined by Rietveld refinement of powder X-ray diffraction pattern using an initial structural model developed on the basis of literature survey. The results indicate that both the samples possess hexagonal structure of trigonal P 3 bar m 1 space group. The lattice parameters of SMT are a=b=5.65162 Å, c=6.94440 Å, α=β=90° and γ=120° and those of SZT are a=b=5.65832 Å, c=6.95911 Å and α=β=90° and γ=120°. SMT and SZT are isostructural and they exhibit 2:1 B site ordering with the staking sequence of {-Ta-Ta-Mg (Zn)-} (Mg for SMT and Zn for SZT) layer repeat on (111) plane of the pseudocells. The characteristic vibrational bands due to Ta-O, Mg-O and Zn-O bonds have been observed in the FTIR spectra of the samples. The FESEM micrographs of the samples show that the grains size ranges between 0.40 and 3.65 μm and 0.9 to 4.2 μm for SMT and SZT, respectively. To account for the polydispersive nature of the dielectric relaxation mechanism along with the effects of dc conductivity and localized space charges the variation of real (ε‧) and imaginary (ε″) parts of dielectric constant with frequency has been analytically interpreted in the framework of modified Cole-Cole model. SMT and SZT having the activation energies of 0.35 eV and 0.33 eV, respectively (obtained from the Arrhenius plot of dc conductivity), are semiconducting in nature. The electrical current conduction in the samples occurs by polaron hopping process. Further, we have shown that chemical property of A site cations has significant role in determining the dielectric properties of A3B‧B″2O9 type perovskites

  16. Disorder effects in multiorbital s+/--wave superconductors: Implications for Zn-doped BaFe2As2 compounds

    NASA Astrophysics Data System (ADS)

    Chen, Hua; Tai, Yuan-Yen; Ting, C. S.; Graf, Matthias J.; Dai, Jianhui; Zhu, Jian-Xin

    2014-03-01

    Recent experiments on Zn-doped 122-type iron pnictides, Ba(Fe1 - x - yCoyZnx)2As2, are challenging our understanding of electron doping the 122s and the interplay between doping and impurity scattering. To resolve this enigma, we investigate the disorder effects of nonmagnetic Zn impurities on various properties of the system in the s+/--wave pairing state. The BdG is solved based on a minimal two-orbital model with an extended range of impurity concentrations. With increasing Zn concentration the density of states shows a gradual filling of the gap, revealing pair breaking effect. Both the averaged superconducting order parameter and superfluid density are dramatically suppressed towards the dirty limit, indicating the violation of the Anderson theorem and breakdown of the AG theory for impurity-averaged Green's functions. The superconductivity is fully suppressed close to the critical impurity concentration of nimp ~ 10 % , in agreement with recent experiments. NSF No.11274084, Z6110033, PHYS-1066293, 973 No. 2010CB923000, RAWF No. E-1146, LANL LDRD, CIN, U.S. DOE

  17. Order-disorder behavior in Ba(Zn1/3Ta2/3)O3

    NASA Astrophysics Data System (ADS)

    Reaney, I. M.; Qazi, I.; Lee, W. E.

    2000-12-01

    Sintered (1475 °C/2 h) pellets of Ba(Zn1/3Ta2/3)O3 were annealed at temperatures ranging from 1550 to 1625 °C/15 h and subsequently quenched into water. The degree of B-site order between the Zn and Ta cations was investigated using x-ray diffraction (XRD) and transmission electron microscopy (TEM). Samples quenched from 1575 to 1600 °C exhibit the highest degree of order by XRD. Dark-field TEM images from these samples revealed 1:2, Zn:Ta, trigonal, ordered domains approximately 0.4 μm diam near grain boundaries but 100 nm in the grain interior. Samples annealed and quenched from 1625 °C exhibited no ordered superlattice reflections by XRD. However, diffuse scatter along <111> directions and fcc rather than trigonal ordered reflections were observed in electron diffraction patterns. Disordered samples were subsequently annealed at 1500 °C/15 h (below the order-disorder phase transition ˜1625 °C) and ±1/3{hkl} superlattice reflections reappeared in XRD patterns demonstrating the reversibility of the phase transition.

  18. Sputter deposition of ZnS:Mn/SrS:Ce multilayer stacks for use as white phosphor thin film electroluminscent panels

    SciTech Connect

    Ruffner, J.A.; Tuenge, R.T.; Sun, Sey-Shing

    1995-07-01

    Sputter deposition of ZnS:Mn/SrS:Ce multilayered broad-band ``white`` emission thin film electroluminescent (TFEL) stacks has been investigated. To date, deposition of these multilayers has been limited to vacuum evaporation techniques and atomic layer epitaxy, both of which require two different substrate temperatures for growth of high quality ZnS and SrS. This repeated thermal cycling during multilayer deposition can induce stress, defects, and interdiffusion with adversely affect EL performance. Sputter deposition of ZnS and SrS produces high quality TFELs for a wider range of substrate temperatures. Both materials can be sputter deposited at a common temperature (300-350{degrees}C) which eliminates the need for thermal cycling and increases manufacturability. Luminance outputs from sputter deposited ZnS and SrS thin films are comparable to those from evaporated films, making sputtering an attractive alternative deposition technique for these materials. We report on the effects of sputter deposition parameters including chamber pressure, substrate temperature, and H2S process gas partial pressure on the resultant composition and morphology of ZnS:Mn and SrS:Ce thin films and multilayers. Their EL performance was evaluated and correlated to composition and morphology.

  19. An experimental and theoretical study of Ni impurity centers in Ba0.8Sr0.2TiO3

    NASA Astrophysics Data System (ADS)

    Sluchinskaya, I. A.; Lebedev, A. I.

    2017-08-01

    The local environment and the charge state of a nickel impurity in cubic Ba0.8Sr0.2TiO3 are studied by XAFS spectroscopy. According to the XANES data, the mean Ni charge state is 2.5+. An analysis of the EXAFS spectra and their comparison with the results of first-principle calculations of the defect geometry suggest that Ni2+ ions are in a high-spin state at the B sites of the perovskite structure and the difference of charges of Ni2+ and Ti4+ is mainly compensated by distant oxygen vacancies. In addition, a considerable amount of nickel in the sample is in a second phase BaNiO3 - δ. The measurements of the lattice parameter show a decrease in the unit cell volume upon doping, which can indicate the existence of a small amount of Ni4+ ions at the B site.

  20. Influence of applied electric field annealing on the microwave properties of (Ba0.5Sr0.5)TiO3 thin films

    NASA Astrophysics Data System (ADS)

    Cho, Kwang-Hwan; Lee, Chil-Hyoung; Kang, Chong-Yun; Yoon, Seok-Jin; Lee, Young-Pak

    2007-04-01

    The effect of heat treatment in electric field on the structure and dielectric properties at microwave range of rf magnetron sputtering derived (Ba0.5Sr0.5)TiO3 thin films have been studied. It has been demonstrated that postannealing in the proper electric field can increase the dielectric constant and the tunability. The increased out-of-plane lattice constant in the electric-annealed films indicated the formation of small polar regions with tetragonal structure, which are responsible for the increased dielectric constant and tunability. It was proposed that the segregation of Ti3+ ions caused by electric annealing could induce the formation of BaTiO3-like regions, which are ferroelectric at room temperature. And in dielectric loss, as the Ti-O bonding lengths increase, the energy scattering on the ferroelectric mode also increases. So, the value of dielectric loss is slightly increased.

  1. Fabrication of spherical CaO-SrO-ZnO-SiO₂ particles by sol-gel processing.

    PubMed

    Kim, Ill Yong; Towler, Mark R; Wren, Anthony; Ohtsuki, Chikara

    2009-11-01

    This study was concerned with the fabrication of ceramic CaO-SrO-ZnO-SiO(2) spherical particles, which are novel candidates for the glass phase in glass polyalkenoate cements (GPCs). GPCs made from these glasses have potential as bone cements because, unlike conventional GPCs, they do not contain aluminum ions, which inhibit the calcification of hydroxyapatite in the body. The glass phase of GPCs require a controllable glass morphology and particle size distribution. Sol-gel processing can potentially be used to fabricate homogenous ceramic particles with controlled morphology. However, a thorough study on preparation conditions of spherical CaO-SrO-ZnO-SiO(2) particles by sol-gel processing has, to date, not been reported. In this study, gels were prepared by hydrolysis and polycondensation of tetraethoxysilane (TEOS) in an aqueous solution containing polyethylene glycol and nitrates of calcium, strontium and zinc. It was possible to control the morphology and size of the gels by varying the H(2)O/TEOS molar ratio and the metal ion content in the starting compositions. An aliquot of 3-5 mum homogenous spherical particles were obtained at a H(2)O/TEOS molar ratio of 42.6 when the starting composition molar ratios were Sr(NO(3)):Ca(NO(3))(2):Zn(NO(3))(2):Si(OC(2)H(5))(4) = x:0.12:(0.40 - x):0.48 (0

  2. Surfactant-assisted synthesis of Ba0.7Sr0.3TiO3 nanoparticles by mechanical alloying and ultrasonic irradiation

    NASA Astrophysics Data System (ADS)

    Yustanti, Erlina; Hafizah, Mas Ayu Elita; Manaf, Azwar

    2017-01-01

    Ba0.7Sr0.3TiO3 nanoparticles were successfully synthesized by mechanical alloying and successive ultrasonic irradiation method with an addition of surfactant. Fine crystalline particles were first obtained after re-milled the sintered mechanically alloyed powders of BaCO3, TiO2 and SrCO3 precursors for 20 hours in which the size of particles was found below 300 nm. These fine particles were further refined their size under a high power ultrasonic treatment for 6 hours. Various types of surfactant namely amphoteric, cationic, anionic and non-ionic were brought into studies to find out their effectiveness in preventing the agglomeration due to strong attractive forces between fine particles. It was found that all surfactant prove effective to prevent the agglomeration. This was indicated in the distribution of particle size measurement in which mean size of particles added surfactants (139 nm-158 nm) was less than that of surfactant free (173 nm). However, among all surfactant which added in the media containing particles, only the non-ionic surfactant showed a particle size distribution with the smallest (139 nm) mean particle size. The effectiveness of surfactant in preventing the agglomeration depends on the concentration of surfactant and density of media containing particles. The study concluded that the addition of 0.1% non-ionic surfactant into media containing particles has resulted in Ba0.7Sr0.3TiO3 nanoparticles with the mean size of 139 nm.

  3. Extraordinary role of Ce-Ni elements on the electrical and magnetic properties of Sr-Ba M-type hexaferrites

    SciTech Connect

    Iqbal, Muhammad Javed; Farooq, Saima

    2009-11-15

    The structural, electrical and magnetic behavior of Sr{sub 0.5}Ba{sub 0.5-x}Ce{sub x}Fe{sub 12-y}Ni{sub y}O{sub 19} (where x = 0.00-0.10; y = 0.00-1.00) hexaferrite nanomaterials are reported in this paper. The structural analysis indicates that the Ce-Ni doped Sr-Ba M-type hexaferrite samples synthesized by the co-precipitation method are stoichiometric, single magnetoplumbite phase with crystallite sizes in the range of 35-48 nm. The dc-electrical resistivity of the pure Sr-Ba hexaferrite is enhanced to almost 10{sup 2} times by doping with Ce-Ni contents of x = 0.06; y = 0.60. The dielectric constant and dielectric loss tangent decrease to values {approx}14 and <0.2, respectively, by increasing the frequency up to 1 MHz. Small relaxation peaks at frequencies >10{sup 5} Hz are observed for the samples with Ce content of x > 0.06. The values of saturation magnetization increase from 66.32 to 84.33 emu/g and remanance magnetization from 42.64 to 56.01 emu/g but coercivity decreases from 2.85 to 1.59 kOe by substitution of Ce-Ni. Sharp ferri-paramagnetic transition is observed in the samples, which is confirmed by DSC results. Ce-Ni substitution acts to reduce the electron-hopping between Fe{sup 2+}/Fe{sup 3+} ions and also improves the magnetic properties. These characteristics are desirable for their possible use in microwave and chip devices.

  4. Polarization-Mediated Modulation of Electronic and Transport Properties of Hybrid MoS2-BaTiO3-SrRuO3 Tunnel Junctions.

    PubMed

    Li, Tao; Sharma, Pankaj; Lipatov, Alexey; Lee, Hyungwoo; Lee, Jung-Woo; Zhuravlev, Mikhail Y; Paudel, Tula R; Genenko, Yuri A; Eom, Chang-Beom; Tsymbal, Evgeny Y; Sinitskii, Alexander; Gruverman, Alexei

    2017-02-08

    Hybrid structures composed of ferroelectric thin films and functional two-dimensional (2D) materials may exhibit unique characteristics and reveal new phenomena due to the cross-interface coupling between their intrinsic properties. In this report, we demonstrate a symbiotic interplay between spontaneous polarization of the ultrathin BaTiO3 ferroelectric film and conductivity of the adjacent molybdenum disulfide (MoS2) layer, a 2D narrow-bandgap semiconductor. Polarization-induced modulation of the electronic properties of MoS2 results in a giant tunneling electroresistance effect in the hybrid MoS2-BaTiO3-SrRuO3 ferroelectric tunnel junctions (FTJs) with an OFF-to-ON resistance ratio as high as 10(4), a 50-fold increase in comparison with the same type of FTJs with metal electrodes. The effect stems from the reversible accumulation-depletion of the majority carriers in the MoS2 electrode in response to ferroelectric switching, which alters the barrier at the MoS2-BaTiO3 interface. Continuous tunability of resistive states realized via stable sequential domain structures in BaTiO3 adds memristive functionality to the hybrid FTJs. The use of narrow band 2D semiconductors in conjunction with ferroelectric films provides a novel pathway for development of the electronic devices with enhanced performance.

  5. Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces

    NASA Astrophysics Data System (ADS)

    Eglitis, Roberts I.

    2015-12-01

    The results of ab initio calculations for polar BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach, the surface relaxation has been calculated for two possible B (B = Ti or Zr) or AO3 (A = Ba, Pb or Sr) BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surface terminations. According to performed B3LYP calculations, all atoms of the first surface layer, for both terminations, relax inwards. The only exception is a small outward relaxation of the PbO3-terminated PbTiO3 (111) surface upper layer Pb atom. B3LYP calculated surface energies for BaO3, PbO3, SrO3 and PbO3-terminated BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces are considerably larger than the surface energies for Ti (Zr)-terminated (111) surfaces. Performed B3LYP calculations indicate a considerable increase of Tisbnd O (Zrsbnd O) chemical bond covalency near the BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surface relative to the BaTiO3, PbTiO3, SrZrO3 and PbZrO3 bulk. Calculated band gaps at the Γ-point near the PbTiO3, SrZrO3 and PbZrO3 (111) surfaces are reduced, but near BaTiO3 (111) surfaces increased, with respect to the BaTiO3, PbTiO3, SrZrO3 and PbZrO3 bulk band gap at the Γ-point values.

  6. An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3}

    SciTech Connect

    Hopper, H.A.; Le, J.; Cheng, J.; Weller, T.; Marschall, R.; Bloh, J.Z.; Macphee, D.E.; Folli, A.; Mclaughlin, A.C.

    2016-02-15

    The solid solution Sr{sub 1−x}Ba{sub x}MoO{sub 3} (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1–1.0. The optical properties of the metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3} have been investigated by a combination of UV–vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t{sub 2g} band to the e{sub g} band. The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. - Graphical abstract: Ultraviolet–visible absorbance spectra (converted from diffuse reflectance spectra) for SrMoO{sub 3} and BaMoO{sub 3}. - Highlights: • The solid solution Sr{sub 1-x}Ba{sub x}MoO{sub 3} has been synthesised. • A miscibility gap exists from x=0.1–1.0 in Sr{sub 1−x}Ba{sub x}MoO{sub 3.} • Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. • The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst.

  7. Interfacial charge-mediated non-volatile magnetoelectric coupling in Co0.3Fe0.7/Ba0.6Sr0.4TiO3/Nb:SrTiO3 multiferroic heterostructures

    PubMed Central

    Zhou, Ziyao; Howe, Brandon M.; Liu, Ming; Nan, Tianxiang; Chen, Xing; Mahalingam, Krishnamurthy; Sun, Nian X.; Brown, Gail J.

    2015-01-01

    The central challenge in realizing non-volatile, E-field manipulation of magnetism lies in finding an energy efficient means to switch between the distinct magnetic states in a stable and reversible manner. In this work, we demonstrate using electrical polarization-induced charge screening to change the ground state of magnetic ordering in order to non-volatilely tune magnetic properties in ultra-thin Co0.3Fe0.7/Ba0.6Sr0.4TiO3/Nb:SrTiO3 (001) multiferroic heterostructures. A robust, voltage-induced, non-volatile manipulation of out-of-plane magnetic anisotropy up to 40 Oe is demonstrated and confirmed by ferromagnetic resonance measurements. This discovery provides a framework for realizing charge-sensitive order parameter tuning in ultra-thin multiferroic heterostructures, demonstrating great potential for delivering compact, lightweight, reconfigurable, and energy-efficient electronic devices. PMID:25582090

  8. Internal residual stress studies and enhanced dielectric properties in La0.7Sr0.3CoO3 buffered (Ba,Sr)TiO3 thin films

    NASA Astrophysics Data System (ADS)

    Lu, Shengbo; Xu, Zhengkui

    2009-09-01

    Ba0.6Sr0.4TiO3 (BST) thin films were deposited on La0.7Sr0.3CoO3 (LSCO) buffered and unbuffered Pt (111)/Ti/SiO2/Si substrates by pulsed laser deposition. The former exhibits a (100) preferred orientation and the latter a random orientation, respectively. Grazing incident x-ray diffraction study revealed that the tensile residual stress observed in the latter is markedly reduced in the former. As a result, the dielectric property of the LSCO buffered BST thin film is greatly improved, which shows a larger dielectric constant and tunability, smaller loss tangent, and lower leakage current than those of the unbuffered BST thin film. The relaxation of the larger tensile residual stress is attributed to the larger grain size in the buffered BST thin film and to a closer match of thermal expansion coefficient between the BST and the LSCO buffer layer.

  9. Epitaxial Ba{sub 2}IrO{sub 4} thin-films grown on SrTiO{sub 3} substrates by pulsed laser deposition

    SciTech Connect

    Nichols, J. Korneta, O. B.; Terzic, J.; Cao, G.; Brill, J. W.; Seo, S. S. A.

    2014-03-24

    We have synthesized epitaxial Ba{sub 2}IrO{sub 4} (BIO) thin-films on SrTiO{sub 3} (001) substrates by pulsed laser deposition and studied their electronic structure by dc-transport and optical spectroscopic experiments. We have observed that BIO thin-films are insulating but close to the metal-insulator transition boundary with significantly smaller transport and optical gap energies than its sister compound, Sr{sub 2}IrO{sub 4}. Moreover, BIO thin-films have both an enhanced electronic bandwidth and electronic-correlation energy. Our results suggest that BIO thin-films have great potential for realizing the interesting physical properties predicted in layered iridates.

  10. The effect of composition on ion release from Ca-Sr-Na-Zn-Si glass bone grafts.

    PubMed

    Murphy, S; Boyd, D; Moane, S; Bennett, M

    2009-11-01

    Controlled delivery of active ions from biomaterials has become critical in bone regeneration. Some silica-based materials, in particular bioactive glasses, have received much attention due to the ability of their dissolution products to promote cell proliferation, cell differentiation and activate gene expression. However, many of these materials offer little therapeutic potential for diseased tissue. Incorporating trace elements, such as zinc and strontium, known to have beneficial and therapeutic effects on bone may provide a more viable bone graft option for those suffering from metabolic bone diseases such as osteoporosis. Rational compositional design may also allow for controlled release of these active ions at desirable dose levels in order to enhance therapeutic efficacy. In this study, six differing compositions of calcium-strontium-sodium-zinc-silicate (Ca-Sr-Na-Zn-Si) glass bone grafts were immersed in pH 7.4 and pH 3 solutions to study the effect of glass composition on zinc and strontium release in a normal and extreme physiological environment. The zinc release levels over 30 days for all zinc-containing glasses in the pH 7.4 solution were 3.0-7.65 ppm. In the more acidic pH 3 environment, the zinc levels were higher (89-750 ppm) than those reported to be beneficial and may produce cytotoxic or negative effects on bone tissue. Strontium levels released from all examined glasses in both pH environments similarly fell within apparent beneficial ranges--7.5-3500 ppm. Glass compositions with identical SrO content but lower ZnO:Na(2)O ratios, showed higher levels of Sr(2+) release. Whereas, zinc release from zinc-containing glasses appeared related to ZnO compositional content. Sustainable strontium and zinc release was seen in the pH 7.4 environment up to day 7. These results indicate that the examined Ca-Sr-Na-Zn-Si glass compositions show good potential as therapeutic bone grafts, and that the graft composition can be tailored to allow therapeutic

  11. Characterization of (Ba(0.5)Sr(0.5)) TiO3 Thin Films for Ku-Band Phase Shifters

    NASA Technical Reports Server (NTRS)

    Mueller, Carl H.; VanKeuls, Fredrick W.; Romanofsky, Robert R.; Miranda, Felix A.; Warner, Joseph D.; Canedy, Chadwick L.; Ramesh, Rammamoorthy

    1999-01-01

    The microstructural properties of (Ba(0.5)Sr(0.5)TiO3) (BSTO) thin films (300, 700, and 1400 nm thick) deposited on LaAlO3 (LAO) substrates were characterized using high-resolution x-ray diffractometry. Film crystallinity was the parameter that most directly influenced tunability, and we observed that a) the crystalline quality was highest in the thinnest film and progressively degraded with increasing film thickness; and b) strain at the film/substrate interface was completely relieved via dislocation formation. Paraelectric films such as BSTO offer an attractive means of incorporating low-cost phase shifter circuitry into beam-steerable reflectarray antennas.

  12. Optical properties of Ag nanoparticles embedded Ba0.5Sr0.5TiO3 films prepared by alternating pulsed laser deposition.

    PubMed

    Kim, Ji-Suk; Lee, Kyeong-Seok; Kim, Sang Sub

    2006-11-01

    Nanocomposite thin films consisting of nanometer-sized Ag particles embedded in amorphous Ba0.5Sr0.5TiO3 matrix were prepared on fused silica substrates by an alternating pulsed laser deposition method. Their optical nonlinearities have been studied using the Z-scan method. The surface plasmon resonance (SPR) peak shifts to red and increases with the increasing the volume fraction of Ag in the nanocomposite films. The magnitude of the third-order nonlinear susceptibility of the nanocomposite with an Ag volume fraction of 3.3% was calculated to be approximately 2 x 10(-8) esu at the SPR wavelength.

  13. Influences of Orientation on Magnetoelectric Coupling at La1-x Sr x MnO3/BaTiO3 Interface from Ab Initio Calculations

    NASA Astrophysics Data System (ADS)

    Nguyen, Thuy Trang; Yamauchi, Kunihiko; Oguchi, Tamio; Hoang, Nam Nhat

    2017-01-01

    An ab initio study on the magnetoelectric coupling at interfaces of ferromagnetic perovskite Sr-doped LaMnO3 (LSMO) and ferroelectric perovskite BaTiO3 (BTO) with (001) and (111) perovskite orientations is presented. It was found that the interfaces with both orientations exhibit significant magnetoelectric couplings. The effects of the orientation on the magnetoelectric coupling are discussed on the basis of the electronic structure, suggesting that the enhancement of electrostatic-screening-induced magnetoelectric coupling at the (111) interface in comparison with the (001) interface is mainly due to strengthened interfacial coupling.

  14. Molecular dynamics and reverse Monte Carlo modeling of scheelite-type AWO4 (A = Ca, Sr, Ba) W L 3-edge EXAFS spectra

    NASA Astrophysics Data System (ADS)

    Kalinko, Aleksandr; Bauer, Matthias; Timoshenko, Janis; Kuzmin, Alexei

    2016-11-01

    Classical molecular dynamics (MD) and reverse Monte Carlo methods coupled with ab initio multiple-scattering extended x-ray absorption fine structure (EXAFS) calculations were used for modeling of scheelite-type AWO4 (A = Ca, Sr, Ba) W L 3-edge EXAFS spectra. The two theoretical approaches are complementary and allowed us to perform analysis of full EXAFS spectra. Both methods reproduce well the structure and dynamics of tungstates in the outer coordination shells, however the classical MD simulations underestimate the W-O bond MSRD due to a neglect of quantum zero-point-motion. The thermal vibration amplitudes, correlation effects and anisotropy of the tungstate structure were also estimated.

  15. Structural studies of zirconium doped Ba{sub 0.70}Sr{sub 0.30}TiO{sub 3} lead free ferroelectric thin films

    SciTech Connect

    Sharma, Sarita Ram, Mast; Thakur, Shilpa; Sharma, Hakikat; Negi, N. S.

    2016-05-06

    Ba{sub 0.7}Sr{sub 0.3}(Zr{sub x}Ti{sub 1-x})O{sub 3}(BSZT, x=0,0.05,0.10,0.15,0.20) thin films were prepared by using sol gel method. Structural and microstructural properties were studied by using XRD, Raman Spectroscopy and atomic force microscopy (AFM) respectively. XRD and Raman Spectroscopy show the presence of tetragonal phase in multilayer BSZT thin film. The experimental results demonstrate that structural and microstructural properties of BSZT thin film were significantly dependent on variation of Zr content.

  16. Effect of local A-site strain on dipole stability in A6GaNb9O30 (A = Ba, Sr, Ca) tetragonal tungsten bronze relaxor dielectrics.

    PubMed

    Miller, Andrew J; Rotaru, Andrei; Arnold, Donna C; Morrison, Finlay D

    2015-06-21

    A series of isovalently A-site substituted relaxor dielectric tetragonal tungsten bronzes of general formula Ba(6-x-y)Sr(x)Ca(y)GaNb(9)O(30) were investigated. The long-range (average) crystal structure as determined by conventional diffraction techniques varies monotonically according to Vegard's law. The dielectric properties, however, do not display a similar, simple "average size" dependence and instead show a dependence on the statistical size variance, i.e. size mismatch, of the A-cation. The difficulties in Vogel-Fulcher analysis of relative permittivity and the complementary approach of using dielectric loss data fitted to Jonscher's empirical universal dielectric relaxation model is discussed.

  17. Dipole spring ferroelectrics in superlattice SrTiO3/BaTiO3 thin films exhibiting constricted hysteresis loops

    SciTech Connect

    Wu, Pingping; Ma, Xingqiao; Li, Yulan; Gopalan, Venkatraman; Chen , L.Q.

    2012-03-01

    Ferroelectric superlattice heterostructures have recently been explored for potential applications in electronic devices. In this letter we employed the phase-field approach to simulate the domain structure and switching of a (BaTiO3)8/(SrTiO3)3 superlattice film constrained by a GdScO3 substrate. A constricted ferroelectric hysteresis loop was observed with a high saturation polarization but a small coercive field. The shape of the hysteresis loop is understood by analyzing the ferroelectric polarization distributions during switching. It is demonstrated that the constricted loop show a similar mechanism to the exchange coupling effect in magnetic multilayers.

  18. Significant enhancement in energy density of polymer composites induced by dopamine-modified Ba0.6Sr0.4TiO3 nanofibers

    NASA Astrophysics Data System (ADS)

    Song, Yu; Shen, Yang; Hu, Penghao; Lin, Yuanhua; Li, Ming; Nan, C. W.

    2012-10-01

    Ba0.6Sr0.4TiO3 (BST) nanofibers prepared via electrospinning and modified by dopamine are used as dielectric fillers in polyvinylidene fluoride (PVDF)-based composites. With 4.4 vol. % of BST nanofibers, the extractable energy density of the BST/PVDF composites is more than doubled as compared with pure PVDF matrix. Such significant enhancement is attributed to the combined effect of both surface modification by dopamine and large aspect ratio of the BST nanofibers. Paraelectric or anti-ferroelectric fillers of large aspect ratio may serve as a general strategy for enhanced electric energy density in polymer composites.

  19. The crystal chemistry of the alkaline-earth apatites A(10)(PO(4))(6)Cu(x)O(y)(H)(z) (A = Ca, Sr and Ba).

    PubMed

    Baikie, Tom; Ng, George M H; Madhavi, S; Pramana, Stevin S; Blake, Kevin; Elcombe, Margaret; White, T J

    2009-09-14

    The crystal chemistry of the cuprate apatites A(I)(4)A(II)(6)(PO(4))(6)Cu(x)O(y)(H)(z) (A = Ca, Sr and Ba) was investigated by powder X-ray (PXRD) and neutron diffraction (PND) and X-ray photoelectron spectroscopy (XPS). The refined crystal structures confirmed earlier X-ray diffraction studies that showed copper resides in the apatite channels and additionally, located hydrogen. For all materials copper is primarily divalent (Cu(2+)) but in the calcium and strontium analogues co-exists with minor Cu(3+). This is in contrast with a previous work where Cu(1+) and Cu(2+) were reported.

  20. Spin-density-wave-induced anomalies in the optical conductivity of AFe2As2, (A=Ca, Sr, Ba) single-crystalline iron pnictides

    NASA Astrophysics Data System (ADS)

    Charnukha, A.; Pröpper, D.; Larkin, T. I.; Sun, D. L.; Li, Z. W.; Lin, C. T.; Wolf, T.; Keimer, B.; Boris, A. V.

    2013-11-01

    We report the complex dielectric function of high-quality AFe2As2, (A=Ca, Sr, Ba) single crystals with TN≈150K, 200K, and 138K, respectively, determined by broadband spectroscopic ellipsometry at temperatures 10≤T≤300K and wave numbers from 100cm-1 to 52000cm-1. In CaFe2As2 we identify the optical spin-density-wave gap 2ΔSDW≈1250cm-1. The 2ΔSDW/(kBTN) ratio, characterizing the strength of the electron-electron coupling in the spin-density-wave state, amounts to ≈12 in CaFe2As2, significantly larger than the corresponding values for the SrFe2As2 and BaFe2As2 compounds: 8.7 and 5.3, respectively. We further show that, similarly to the Ba-based compound, two characteristic SDW energy gaps can be identified in the infrared-conductivity spectra of both SrFe2As2 and CaFe2As2 and investigate their detailed temperature dependence in all three materials. This analysis reveals the existence of an anomaly in CaFe2As2 at a temperature T*≈80K, well below the Néel temperature of this compound, which implies weak coupling between the two SDW subsystems. The coupling between the two subsystems evolves to intermediate in the Sr-based and strong in the Ba-based material. The temperature dependence of the infrared phonons reveals clear anomalies at the corresponding Néel temperatures of the investigated compounds. In CaFe2As2, the phonons exhibit signatures of SDW fluctuations above TN and some evidence for anomalies at T*. Investigation of all three materials in the visible spectral range reveals a spin-density-wave-induced suppression of two absorption bands systematically enhanced with decreasing atomic number of the intercalant. A dispersion analysis of the data in the entire spectral range clearly shows that CaFe2As2 is significantly more metallic than the other two compounds. Our results single out CaFe2As2 in the class of ThCr2Si2-type iron-based materials by demonstrating the existence of two weakly coupled and extremely metallic electronic subsystems.

  1. Electric modulation of magnetization at the BaTiO3/La0.67Sr0.33MnO3 interfaces

    NASA Astrophysics Data System (ADS)

    Lu, H.; George, T. A.; Wang, Y.; Ketsman, I.; Burton, J. D.; Bark, C.-W.; Ryu, S.; Kim, D. J.; Wang, J.; Binek, C.; Dowben, P. A.; Sokolov, A.; Eom, C.-B.; Tsymbal, E. Y.; Gruverman, A.

    2012-06-01

    We report large (>10%) magnetization modulation by ferroelectric polarization reversal in the ferroelectric-ferromagnetic BaTiO3/La0.67Sr0.33MnO3 (BTO/LSMO) heterostructures. We find that the electrically induced change in magnetization is limited to the BTO/LSMO interface but extends about 3 nm deep into the LSMO layer—far beyond the expected screening length of metallic LSMO. It is suggested that this effect is due to a metal-insulator transition occurring at the BTO/LSMO interface as a result of electrostatic doping.

  2. Temperature dependence of optical anisotropy parameter of CaF2, BaF2 and SrF2 materials

    NASA Astrophysics Data System (ADS)

    Snetkov, Ilya; Yakovlev, Alexey; Palashov, Oleg

    2017-07-01

    Thermally induced depolarization in undoped CaF2, BaF2 and SrF2 crystals was measured. The obtained results were used to determine temperature dependence of the optical anisotropy parameter ξ of these materials in the 80-300 K range. Temperature dependence of the orientation of crystallographic axes corresponding to the ;zero depolarization; orientation was found. It was revealed that thermally induced depolarization in the studied materials cooled to 80 K reduces by more than 100 times, with changes in the parameter ξ being 5.8%, 6.4% and 28%, respectively.

  3. A metal/Ba0.6Sr0.4TiO3/SiO2/Si single film device for charge trapping memory towards a large memory window

    NASA Astrophysics Data System (ADS)

    Zhang, Yuanyuan; Yang, Tao; Yan, Xiaobing; Zhang, Zichang; bai, Gang; Lu, Chao; Jia, Xinlei; Ding, Bangfu; Zhao, Jianhui; Zhou, Zhenyu

    2017-05-01

    In this study, we present a metal/Ba0.6Sr0.4TiO3/SiO2/Si (MBOS) structure for charge trapping memory, where the single Ba0.6Sr0.4TiO3 film acts as the blocking layer and charge trapping layer. This MBOS device structure demonstrates excellent charge trapping characteristics, a large memory window up to 8.4 V under an applied voltage of ±12 V, robust charge retention of only 4% charge loss after 1.08 × 104 s, fast switching rate, and great program/erase endurance. These attractive features are attributed to the high density of defect states in the Ba0.6Sr0.4TiO3 film and its inter-diffusion interface with SiO2. The properties of defect states in the Ba0.6Sr0.4TiO3 film are investigated through measurements of photoluminescence and photoluminescence excitation spectroscopy. The energy levels of these defect states are found to be distributed between 2.66 eV and 4.05 eV above the valence band. The inter-diffusion at the Ba0.6Sr0.4TiO3/SiO2 interface is observed by high-resolution transmission electron microscopy. More defect sites were created to obtain a better charge trapping capability and retention characteristics.

  4. Structure refinement of Ba0.5Sr0.5Co0.8Fe0.2O3-d as cathode materials for intermediate temperature solid oxide fuel cells (IT-SOFC)

    NASA Astrophysics Data System (ADS)

    Zakaria, Nurhamidah; Osman, Rozana A. M.; Idris, Mohd Sobri

    2016-07-01

    Ba0.5Sr0.5Co0.8Fe0.2O3-δ was successfully prepared using modified solid-state synthesis routes. The lowest temperature to obtained single phase of Ba0.5Sr0.5Co0.8Fe0.2O3-δ is about 900°C for 15 hours. Longer period of time are required compared to only 5 hours at 950°C as established in literatures. The X-ray Diffraction (XRD) data confirmed that Ba0.5Sr0.5Co0.8Fe0.2O3-δ is formed a cubic perovskite with the space group of Pm-3m. The lattice parameters of Ba0.5Sr0.5Co0.8Fe0.2O3-δ are a = 3.990 (1) Å and unit cell volume is V = 63.5 (1) Å3. The Rietveld refinement of XRD data revealed that the crystal structure of Ba0.5Sr0.5Co0.8Fe0.2O3-δ slightly changes as a function of temperature.

  5. Method of forming a dielectric thin film having low loss composition of Ba.sub.x Sr.sub.y Ca.sub.1-x-y TiO.sub.3 : Ba.sub.0.12-0.25 Sr.sub.0.35-0.47 Ca.sub.0.32-0.53 TiO.sub.3

    DOEpatents

    Xiang, Xiao-Dong; Chang, Hauyee; Takeuchi, Ichiro

    2000-01-01

    A dielectric thin-film material for microwave applications, including use as a capacitor, the thin-film comprising a composition of barium strontium calcium and titanium of perovskite type (Ba.sub.x Sr.sub.y Ca.sub.1-x-y)TiO.sub.3. Also provided is a method for making a dielectric thin film of that formula over a wide compositional range through a single deposition process.

  6. Crossover from dilute to majority spin freezing in two leg ladder system Sr(Cu,Zn)2O3

    PubMed

    Larkin; Fudamoto; Gat; Kinkhabwala; Kojima; Luke; Merrin; Nachumi; Uemura; Azuma; Saito; Takano

    2000-08-28

    Muon spin relaxation has been measured in Sr(Cu1-xZnx)2O3. The results for low Zn concentration xZn, having approximately 0.5&mgr;(B) frozen moment. A sharp increase of the relaxation rate at T-->0 occurred with increasing x around x approximately 0.8%, accompanied by a change of line shape to that expected in a concentrated magnetic environment. Analyses of the results for x>/=0.8% suggest that the majority of Cu moments participate in spin freezing, yet with a significantly reduced and spatially inhomogeneous moment size having a 1D correlation length xi approximately 6 lattice units, or a 2D correlation area involving approximately 19 Cu spins.

  7. Enhanced photoluminescence and thermal properties of size mismatch in Sr(2.97-x-y)Eu0.03Mg(x)Ba(y)SiO5 for high-power white light-emitting diodes.

    PubMed

    Ci, Zhipeng; Que, Meidan; Shi, Yurong; Zhu, Ge; Wang, Yuhua

    2014-02-17

    In this Study, Mg(2+) and Ba(2+) act to enhance the maximum emission of Sr2.97SiO5:0.03Eu(2+) significantly and redshift the emission band to the orange-red region in Sr(2.97-x-y)Mg(x)Ba(y)SiO5:0.03Eu(2+). Size mismatch between the host and the doped cations tunes the photoluminescence spectra shift systematically. A slight blue shift when increasing the amount of Mg(2+) occurs in the Sr(2.97-x)Eu0.03Mg(x)SiO5 lattices, and a rapid red shift occurs when Ba(2+) is codoped in the Sr(2.57-y)Eu0.03Mg0.4Ba(y)SiO5 lattices. The emission spectra were tuned from 585 to 601 nm by changing the concentration of Ba(2+). Accordingly, we propose the underlying mechanisms of the changes in the photoluminescence properties by adjusting the cation composition of phosphors. The influence of the size mismatch on the thermal quenching is also observed. This mechanism could be widely applied to oxide materials and could be useful in tuning the photoluminescence properties, which are sensitive to local coordination environment. The emission bands of Sr(2.97-x-y)Eu0.03Mg(x)Ba(y)SiO5 show the blue shift with increasing temperature, which could be described in terms of back tunneling of the excited electrons from the low-energy excited state to the high-energy excited state. Thus, the Sr(2.97-x-y)Eu0.03Mg(x)Ba(y)SiO5 phosphors could have potential applications in the daylight LEDs or warm white LEDs.

  8. Correlation between upconversion photoluminescence and dielectric response in Ba-substituted (Sr{sub 1−x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30}

    SciTech Connect

    Wei, T.; Wang, X. D.; Zhao, C. Z.; Liu, M. F.; Liu, J. M.

    2014-06-30

    The filled tetragonal tungsten bronze (Sr{sub 1−x}Ba{sub x}){sub 4}(La{sub 0.85}Ho{sub 0.025}Yb{sub 0.125}){sub 2}Ti{sub 4}Nb{sub 6}O{sub 30} (SBLTNx: Ho-Yb) ceramics with different Ba substitution levels (x) are prepared. The upconversion photoluminescence (UC-PL) and dielectric permittivity are investigated. The substitution of Sr{sup 2+} ions at the A{sub 2}-sites by larger Ba{sup 2+} ions results in substantial variation of the UC-PL intensity as a function of substitution level x. Furthermore, the dielectric response to the substitution of Sr{sup 2+} by Ba{sup 2+} suggests a close correlation between the UC-PL intensity and dielectric permittivity. The origin for this correlation is discussed based on the random stress field (RSF) model.

  9. Post-collisional, Late Neoproterozoic, high-Ba-Sr granitic magmatism from the Dom Feliciano Belt and its cratonic foreland, Uruguay: Petrography, geochemistry, geochronology, and tectonic implications

    NASA Astrophysics Data System (ADS)

    Lara, Pablo; Oyhantçabal, Pedro; Dadd, Kelsie

    2017-04-01

    Post-collisional, granitic magmatism with high-barium-strontium (HiBaSr) content and shoshonitic affinity has been recently recognized both in the southern section of the Dom Feliciano Belt of Uruguay and its cratonic foreland. This group of granitic rocks has a distinctive age, mineralogy, chemistry and field characteristics. New zircon U-Pb LA-ICP-MS data for three of the plutons confirm their Late Neoproterozoic age; 634 ± 7.3 (Sierra de los Caracoles), 604 ± 3.0 Ma (Cortez Blanco) and 597 ± 3.6 Ma (Guayabo). Similar ages were published previously for the Solis de Mataojo Granitic Complex (584 ± 13 Ma) as well as Las Flores (586 ± 2.7 Ma) and Sobresaliente plutons (585 ± 2.5 Ma). Mineral assemblages of the studied quartz-monzonites, granodiorites and monzogranites comprise quartz, orthoclase and microcline, plagioclase (Ab10-30), hornblende, green biotite, apatite, titanite and allanite. They plot predominantly in the high-K calc-alkaline field with the exception of a few that plot in the shoshonitic field; characteristically they are relatively high in Na2O (normally > 4.5%) in acid varieties (SiO2 > 65%) decreasing to between 3 and 4% for more basic types; K2O normally exceeds 3.5% but can be as low as < 2% in the basic varieties. The Uruguayan HiBaSr granitoids show high abundances of Ba (> 700 ppm), Sr (> 500 ppm) and light REEs alongside low Nb, Ta and heavy REEs. The Eu anomalies are negligible to slightly positive. Intermediate initial 87Sr/86Sr values (0.7077 to 0.7090) and very low initial epsilon Nd values (- 15.8 to - 19.3) at 600 Ma with high Nd TDM (2.2-2.8 Ga) suggest a recycling of ancient Paleoproterozoic to Late Archaean sources. Late Neoproterozoic granitoids of Uruguay have been emplaced within a post-collisional tectonic setting controlled by major shear zones and strike-slip fault zones. Current field and analytical data suggest that these granitoids could have been mostly generated through the partial melting of an intermediate to

  10. Efficient upconversion luminescence from Ba5Gd8Zn4O21:Yb3+, Er3+ based on a demonstrated cross-relaxation process

    NASA Astrophysics Data System (ADS)

    Mi, Chao; Wu, Jianhong; Yang, Yanmin; Han, Boning; Wei, Jun

    2016-03-01

    Under 971 nm excitation, bright green and red emissions from Yb3+/Er3+ co-doped Ba5Gd8Zn4O21 phosphor can be observed, especially the intense red emission in highly doped samples. The experimental results indicate that Ba5Gd8Zn4O21:Yb3+, Er3+ emits stronger upconversion luminescence than NaYF4:Yb3+, Er3+ under a low excitation power, and a maximum upconversion power efficiency of 2.7% for Ba5Gd8Zn4O21:Yb3+, Er3+ was achieved. More significantly, to explain the red emission enhanced with the dopant concentration, this paper presents a possible cross-relaxation process and demonstrates it based on the rate equation description and temporal evolution. In view of the strong upconversion luminescence, colour tunable ability and stable chemical nature, Yb3+/Er3+ co-doped Ba5Gd8Zn4O21 phosphor could be an excellent candidate for efficient upconversion luminescence generation.

  11. Sol–gel synthesis, structure and luminescence properties of Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors

    SciTech Connect

    Li, Yuntong; Liu, Xiaohua

    2015-04-15

    Graphical abstract: The phosphor powders of Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} were prepared by sol–gel method. The dependence of luminescence intensity on the Eu{sup 3+} concentration was investigated. - Highlights: • We synthesize Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors by the sol–gel method. • The effect of temperature on the crystallinity and morphology is investigated. • The phosphor presents an intense CT band in near UV range (370–410 nm). • The concentration quenching mechanism is the exchange interaction. - Abstract: Double-perovskite Ba{sub 2}Zn{sub 1−x}MoO{sub 6}:xEu{sup 3+} (x = 0, 0.02, 0.04, 0.06, 0.08, 0.1) orange–red emitting phosphors were synthesized by using the sol–gel method. The crystalline structure and photoluminescence properties of the phosphors were investigated. The X-ray diffraction (XRD) patterns indicate that the structure of matrix Ba{sub 2}ZnMoO{sub 6} is cubic double-perovskite with space group Fm-3m. The Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors present an intense broad charge transfer (CT) band absorption in near UV range (370–410 nm), which attributes to the charge transfer state of MoO{sub 6}, and performs orange–red emission of Eu{sup 3+} ({sup 5}D{sub 0} → {sup 7}F{sub 1} transition) at around 596 nm. A low concentration quenching occurs in Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} and the optimal doping concentration is about 6 mol%. The Ba{sub 2}ZnMoO{sub 6}:Eu{sup 3+} phosphors are considered to be a promising orange–red emitting phosphor for near ultraviolet GaN-based white light emitting diode.

  12. Gold-hosting high Ba-Sr granitoids in the Xincheng gold deposit, Jiaodong Peninsula, East China: Petrogenesis and tectonic setting

    NASA Astrophysics Data System (ADS)

    Wang, Zhong-Liang; Yang, Li-Qiang; Deng, Jun; Santosh, M.; Zhang, Hua-Feng; Liu, Yue; Li, Rui-Hong; Huang, Tao; Zheng, Xiao-Li; Zhao, Hai

    2014-12-01

    The Xincheng deposit is the only large gold deposit with a proven reserve of >200 t gold hosted by the Early Cretaceous granitoids in northwest Jiaodong Peninsula, East China. The granitoids hosting this ore deposit comprise an inner medium- to fine-grained quartz monzonite and an outer medium- to coarse-grained monzogranite with distinctive K-feldspar megacrysts. LA-ICP-MS zircon dating yields U-Pb ages of 128 ± 1 to 132 ± 1 Ma and 127 ± 2 to 129 ± 1 Ma, for the quartz monzonite and the monzogranite, respectively. The Early Cretaceous ages obtained in our study are comparable with the 126-130 Ma age range reported for the Guojialing granitic suite. The monzogranites, typical high Ba-Sr granites, possess high SiO2 (70.89-73.35%), K2O (3.85-4.32%), total alkalis (K2O + Na2O = 8.08-8.68%), Sr (634-888 ppm), Ba (1395-2111 ppm) and LREE (59.43-145.88), with low HREE and HFSE contents and insignificant Eu anomalies. The rocks display markedly high Sr/Y (114-297) and (La/Yb)N (20-79) ratios. They have low MgO (0.23-0.62%), Cr (0.4-8.33 ppm) and Ni (0.47-2.92 ppm) contents. The typical high Ba-Sr signatures of the outer acidic monzogranites are also shared by the inner intermediate-acidic quartz monzonites, with a relatively higher abundance of these elements. The plagioclases in the quartz monzonites and monzogranites are oligoclase-andesine with An contents of 11.7-44.5%, and oligoclase with An contents of 12.9-29.3%, respectively, which both show the reverse zoning texture. The quartz monzonites have zircon εHf(t) values of -21.3 to -13.9 (average -18.7), which are less negative and show larger variations than those of the monzogranites (εHf(t) = -24.7 to -18.1, average -19.5). Detailed elemental, mineralogical and isotopic data suggest that the high Ba-Sr quartz monzonites and monzogranites were most likely generated by partial melting of the basement rocks of the Jiaobei terrane accompanied by crustal assimilation, with minor addition of the intermediate magma

  13. Anisotropic Exchange within Decoupled Tetrahedra in the Quantum Breathing Pyrochlore Ba3Yb2Zn5O11

    DOE PAGES

    Rau, J. G.; Wu, L. S.; May, A. F.; ...

    2016-06-24

    Tmore » he low energy spin excitation spectrum of the breathing pyrochlore Ba3Yb2Zn5O11 has been investigated with inelastic neutron scattering. Several nearly resolution limited modes with no observable dispersion are observed at 250 mK while, at elevated temperatures, transitions between excited levels become visible. o gain deeper insight, a theoretical model of isolated Yb3+ tetrahedra parametrized by four anisotropic exchange constants is constructed. he model reproduces the inelastic neutron scattering data, specific heat, and magnetic susceptibility with high fidelity. he fitted exchange parameters reveal a Heisenberg antiferromagnet with a very large Dzyaloshinskii-Moriya interaction. Ultimately, using this model, we predict the appearance of an unusual octupolar paramagnet at low temperatures and speculate on the development of inter-tetrahedron correlations.« less

  14. Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)2As2

    DOE PAGES

    Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; ...

    2016-09-06

    We studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)2As2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. Furthermore, we detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5Å, resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment of Mn spinsmore » along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. Finally, we discuss these results in the context of other experiments and theoretical studies on this system.« less

  15. Anisotropic Exchange within Decoupled Tetrahedra in the Quantum Breathing Pyrochlore Ba_{3}Yb_{2}Zn_{5}O_{11}.

    PubMed

    Rau, J G; Wu, L S; May, A F; Poudel, L; Winn, B; Garlea, V O; Huq, A; Whitfield, P; Taylor, A E; Lumsden, M D; Gingras, M J P; Christianson, A D

    2016-06-24

    The low energy spin excitation spectrum of the breathing pyrochlore Ba_{3}Yb_{2}Zn_{5}O_{11} has been investigated with inelastic neutron scattering. Several nearly resolution limited modes with no observable dispersion are observed at 250 mK while, at elevated temperatures, transitions between excited levels become visible. To gain deeper insight, a theoretical model of isolated Yb^{3+} tetrahedra parametrized by four anisotropic exchange constants is constructed. The model reproduces the inelastic neutron scattering data, specific heat, and magnetic susceptibility with high fidelity. The fitted exchange parameters reveal a Heisenberg antiferromagnet with a very large Dzyaloshinskii-Moriya interaction. Using this model, we predict the appearance of an unusual octupolar paramagnet at low temperatures and speculate on the development of intertetrahedron correlations.

  16. Anisotropic Exchange within Decoupled Tetrahedra in the Quantum Breathing Pyrochlore Ba3Yb2Zn5O11

    NASA Astrophysics Data System (ADS)

    Rau, J. G.; Wu, L. S.; May, A. F.; Poudel, L.; Winn, B.; Garlea, V. O.; Huq, A.; Whitfield, P.; Taylor, A. E.; Lumsden, M. D.; Gingras, M. J. P.; Christianson, A. D.

    2016-06-01

    The low energy spin excitation spectrum of the breathing pyrochlore Ba3Yb2Zn5O11 has been investigated with inelastic neutron scattering. Several nearly resolution limited modes with no observable dispersion are observed at 250 mK while, at elevated temperatures, transitions between excited levels become visible. To gain deeper insight, a theoretical model of isolated Yb3 + tetrahedra parametrized by four anisotropic exchange constants is constructed. The model reproduces the inelastic neutron scattering data, specific heat, and magnetic susceptibility with high fidelity. The fitted exchange parameters reveal a Heisenberg antiferromagnet with a very large Dzyaloshinskii-Moriya interaction. Using this model, we predict the appearance of an unusual octupolar paramagnet at low temperatures and speculate on the development of intertetrahedron correlations.

  17. (Y0.5In0.5)Ba(Co,Zn)4O7 cathodes with superior high-temperature phase stability for solid oxide fuel cells

    SciTech Connect

    Young Nam, Kim; Kim, Jung-Hyun; Paranthaman, Mariappan Parans; Manthiram, Arumugam; Huq, Ashfia

    2012-01-01

    (Y0.5In0.5)BaCo4-xZnxO7 (1.0 x 2.0) oxides crystallizing in a trigonal P31c structure have been synthesized and explored as cathode materials for solid oxide fuel cells (SOFC). At a given Zn content, the (Y0.5In0.5)BaCo4-xZnxO7 sample with 50 % Y and 50 % In exhibits much improved phase stability at intermediate temperatures (600 - 800 oC) compared to the samples with 100 % Y or In. However, the substitution of Zn for Co in (Y0.5In0.5)Ba(Co4-xZnx)O7 (1.0 x 2.0) decreases the amount of oxygen loss on heating, total electrical conductivity, and cathode performance in SOFC while providing good long-term phase stability at high temperatures. Among the various chemical compositions investigated in the (Y0.5In0.5)Ba(Co4-xZnx)O7 system, the (Y0.5In0.5)BaCo3ZnO7 sample offers a combination of good electrochemical performance and low thermal expansion coefficient (TEC) while maintaining superior phase stability at 600 800 oC for 100 h. Fuel cell performances of the (Y0.5In0.5)Ba(Co3Zn)O7 + Ce0.8Gd0.2O1.9 (GDC) (50 : 50 wt. %) composite cathodes collected with anode-supported single cell reveal a maximum power density value of 521 mW cm-2 at 700 oC.

  18. Strikingly dissimilar effect of Mn and Zn dopants imposed on local structural distortion of Ba0.5K0.5Fe2As2 superconductor.

    PubMed

    Cheng, Jie; Dong, Peng; Chu, Wangsheng; Xu, Wei; Wen, Haihu; Marcelli, Augusto; Wu, Ziyu

    2013-05-01

    To clarify the contrasting impurity effects of Mn and Zn dopants on the critical temperature of optimally doped Ba0.5K0.5Fe2As2 superconductors, extended X-ray absorption fine-structure spectroscopy was implemented at the Fe and As K-edge. In Mn-doped compounds a gradual deviation of the symmetric FeAs4 tetrahedron and weakening of the Fe-As bond was observed. Conversely, in Zn-doped compounds the perfect FeAs4 tetrahedron is maintained and the Fe-As bond is rigid. The local structural details are consistent with the development of superconductivity in these two systems, suggesting a significant role played by the topology of the FeAs4 tetrahedron and rigidness of the Fe-As bond in Mn/Zn-doped Ba0.5K0.5Fe2As2 superconductors.

  19. Red, Green, and Blue Photoluminescence of Ba2SiO4:M (M = Eu3+, Eu2+, Sr2+) Nanophosphors

    PubMed Central

    Streit, Huayna Cerqueira; Kramer, Jennifer; Suta, Markus; Wickleder, Claudia

    2013-01-01

    Divalent europium doped barium orthosilicate is a very important phosphor for the production of light emitting diodes (LEDs), generally associated to the green emission color of micron-sized crystals synthesized by means of solid-state reactions. This work presents the combustion synthesis as an energy and time-saving preparation method for very small nano-sized Ba2SiO4 particles, flexibly doped to acquire different emission energies. The size of the resulting spherical nanoparticles (NPs) of the green emitting Ba2SiO4:Eu2+ was estimated to about 35 nm applying the Scherrer equation and further characterized with aid of atomic force microscopy (AFM) as well as scanning electron microscopy (SEM). This phosphor is able to build homogeneous luminescent suspensions and was successfully down-sized without changing the optical properties in comparison to the bulk phosphors. Besides the X-ray diffraction (XRD) analysis and the different types of microscopy, the samples were characterized by luminescence spectroscopy. Undoped Ba2SiO4 NPs are not luminescent, but show characteristic red emission of the 5D0 → 7FJ (J = 0–4) electronic transitions when doped with Eu3+ ions. Moreover, these orthosilicate nanoparticles generate blue light at low temperatures due to impurity-trapped excitons, introduced by the partial substitution of the Ba2+ with Sr2+ ions in the Ba2SiO4 lattice causing a substantial distortion. A model for the temperature behavior of the defect luminescence as well as for their nature is provided, based on temperature-dependent luminescence spectra and lifetime measurements. PMID:28811423

  20. Grain growth behavior of Ba1.5Sr1.5Co2Fe24O41 flakes in molten salt synthesis and the magnetic properties of flake/polymer composites

    NASA Astrophysics Data System (ADS)

    Moon, Kyoung-Seok; Kang, Young-Min; Han, InTaek; Lee, Sang-Eui

    2016-11-01

    Single-phase Ba1.5Sr1.5Co2Fe24O41 (Ba1.5Sr1.5Z) hexaferrite flakes were synthesized using a two-step grain growth process, involving a calcination process and molten salt synthesis. Geometric parameters such as aspect ratio and the degree of agglomeration can be controlled by tuning this calcination-molten salt method. The morphological evolution of the flakes was explained using the concept of mixed-control grain growth, i.e., a combination of diffusion for growth and interface reactions, which is a growth mechanism for a faceted interface. The single-phase Ba1.5Sr1.5Z flake particle with high aspect ratio turned out to be a good candidate of soft magnetic inclusion, through an investigation of the correlation between material composition, magnetic behavior, and particle morphology.

  1. Comparative study of conduction-band and valence-band edges of TiO2, SrTiO3, and BaTiO3 by ionization potential measurements

    NASA Astrophysics Data System (ADS)

    Fujisawa, Jun-ichi; Eda, Takumi; Hanaya, Minoru

    2017-10-01

    Here, we report the energy positions of the conduction-band and valence-band edges of anatase titanium dioxide (TiO2), strontium titanate (SrTiO3), and barium titanate (BaTiO3). From the photoelectron yield spectra, the ionization potentials of anatase TiO2, SrTiO3, and BaTiO3 were estimated to be ca. 7.25, 6.90, 7.05 eV, respectively, which correspond to the top of the valence band of each titanium oxide. From these data and their band gaps, it was found that the bottoms of the conduction bands of SrTiO3 and BaTiO3 are positioned above that of anatase TiO2 by 0.40 and 0.23 eV, respectively.

  2. Preparation of barium strontium titanate Ba(1-x)Sr(x)TiO(3) (0

    PubMed

    Jiang, Wanquan; Gong, Xiuqing; Chen, Zuyao; Hu, Yuan; Zhang, Xianzhou; Gong, Xinglong

    2007-02-01

    An ultrasonic irradiation method was applied to the sol/gel synthesis of the single-crystal cubic barium strontium titanate Ba(1-x)Sr(x)TiO(3) (0Ba(0.8)Sr(0.2)TiO(3) are in the range of 70-100 nm and 650-1000 nm, respectively. In addition, the stoichiometric sonogel formation and its heat-treatment process, the relationship between x of Ba(1-x)Sr(x)TiO (3) and the crystal structure, the relationship between synthesis condition of sonogel and morphology have been discussed.

  3. Correlation between upconversion photoluminescence and dielectric response in Ba-substituted (Sr1-xBax)4(La0.85Ho0.025Yb0.125)2Ti4Nb6O30

    NASA Astrophysics Data System (ADS)

    Wei, T.; Wang, X. D.; Zhao, C. Z.; Liu, M. F.; Liu, J. M.

    2014-06-01

    The filled tetragonal tungsten bronze (Sr1-xBax)4(La0.85Ho0.025Yb0.125)2Ti4Nb6O30 (SBLTNx: Ho-Yb) ceramics with different Ba substitution levels (x) are prepared. The upconversion photoluminescence (UC-PL) and dielectric permittivity are investigated. The substitution of Sr2+ ions at the A2-sites by larger Ba2+ ions results in substantial variation of the UC-PL intensity as a function of substitution level x. Furthermore, the dielectric response to the substitution of Sr2+ by Ba2+ suggests a close correlation between the UC-PL intensity and dielectric permittivity. The origin for this correlation is discussed based on the random stress field (RSF) model.

  4. Octonary resistance states in La0.7Sr0.3MnO3/BaTiO3/La0.7Sr0.3MnO3 multiferroic tunnel junctions

    DOE PAGES

    Yue -Wei Yin; Tao, Jing; Huang, Wei -Chuan; ...

    2015-10-06

    General drawbacks of current electronic/spintronic devices are high power consumption and low density storage. A multiferroic tunnel junction (MFTJ), employing a ferroelectric barrier layer sandwiched between two ferromagnetic layers, presents four resistance states in a single device and therefore provides an alternative way to achieve high density memories. Here, an MFTJ device with eight nonvolatile resistance states by further integrating the design of noncollinear magnetization alignments between the ferromagnetic layers is demonstrated. Through the angle-resolved tunneling magnetoresistance investigations on La0.7Sr0.3MnO3/BaTiO3/La0.7Sr0.3MnO3 junctions, it is found that, besides collinear parallel/antiparallel magnetic configurations, the MFTJ shows at least two other stable noncollinear (45°more » and 90°) magnetic configurations. As a result, combining the tunneling electroresistance effect caused by the ferroelectricity reversal of the BaTiO3 barrier, an octonary memory device is obtained, representing potential applications in high density nonvolatile storage in the future.« less

  5. Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3

    DOE PAGES

    Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro; ...

    2015-12-16

    The characteristic structural off -centering of Pb2+ in oxides, associated with its 6s2 lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr0.9Sn0.1TiO3 and Ba0.79Ca0.16Sn0.05TiO3 using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn2+ appears to display some of the characteristics of Pb2+. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compounds SrTiO3 and BaTiO3. Lastly, we find that even at these smallmore » substitution levels, the Sn2+ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO3 rather than the parent compounds.« less

  6. Structural and magnetic properties of the new cobaltate series (BaSr)4-xLa2xCo4O15

    SciTech Connect

    Garlea, Elena; Garlea, Vasile O; Ehlers, Georg; Mamontov, Eugene; Custelcean, Radu; Jin, R.

    2012-01-01

    We report the structural and magnetic properties of a new class of cobaltates with the chemical formula (BaSr)4-xLa2xCo4O15 (x = 0, 0.5 and 1). These compounds crystallize in a hexagonal structure in which cobalt ions are distributed among two distinct crystallographic sites with dierent oxygen coordination. Three Co{O tetrahedra and one octahedron are linked by shared oxygen atoms to form Co4O15 clusters, which are packed together into a honeycomb-like network. Partial substitution of Sr and/or Ba atoms by La allows one to adjust the degree of Co valence mixing, but all compositions remain subject to a random distribution of charge. Magnetic susceptibility together with neutron scattering measurements reveal that all studied specimens are characterized by competing ferro- and antiferro-magnetic exchange interactions that give rise to a three dimensional Heisenberg spin-glass state. Neutron spectroscopy shows a clear trend of slowing down of spindynamics upon increasing La concentration, suggesting a reduction in charge randomness in the doped samples.

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

    NASA Astrophysics Data System (ADS)

    Mubarak, A. A.

    2016-07-01

    The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) 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. CaTiO3 and SrTiO3 are categorized as ductile compounds, whereas the BaTiO3 compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect (M-Γ) 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.

  8. Energy storage properties of Dy3+ doped Sr0.5Ba0.5Nb2O6 thick film with nano-size grains

    NASA Astrophysics Data System (ADS)

    Yang, Daeyeol; Kang, Soo-Bin; Lim, Ji-Ho; Yoon, Songhyeon; Ryu, Jungho; Choi, Jong-Jin; Velayutham, Thamil Selvi; Kim, Hyungsun; Jeong, Dae-Yong

    2017-09-01

    We studied the temperature stable high-energy storage capacitors. Sr0.5Ba0.5Nb2O6 (SBN) is the lead-free ferroelectric solid solution between BaNb2O6 and SrNb2O6. By doping Dy into SBN, the Curie temperature was lowered and dielectric constant was increased. To improve the breakdown behavior of Dy-doped SBN, the aerosoldeposition(AD) was applied to fabricate the dense films with nano-sized grains. These nano-grain give a large number of grain boundaries, suppressing the electron conduction in ceramics. The dielectric constant and breakdown electric field of the AD films annealed at 650 °C were measured as 2307 and 9.9 MV/m, while bulk were 1080 and 4 MV/m. Energy density and efficiency of the AD films annealed at 650 °C were also enhanced as 0.65 J/cc and 90.2% and bulk were 0.08 J/cc and 72.1%, respectively. In addition, the dielectric constant of AD film annealed at 550 °C and 650 °C were quite stable up to 150 °C.

  9. Physical characteristics and magnetic properties of BaFe{sub 12}O{sub 19}/SrTiO{sub 3} based composites derived from mechanical alloying

    SciTech Connect

    Widodo, Rahmat Doni; Manaf, Azwar

    2016-04-19

    A composite system BaFe{sub 12}O{sub 19}/SrTiO{sub 3} with ferrimagnetic BaFe{sub 12}O{sub 19} phase (BHF) and ferroelectric SrTiO{sub 3} phase (STO) have been prepared by mechanical alloying and subsequent heat treatment. The composite powders were studied by Particle Size Analyze, X-ray diffraction and magnetic measurement. It was found that the particle size of composite powders initially increased due to laminated layers formation of a composite and then decreased to an asymptotic value of ∼8 µm as the milling time extended even to a relatively longer time. However, based on results of line broadening analysis the mean grain size of the particles was found in the nanometer scale. We thus believed that mechanical blending and milling of mixture components for the composite materials has promoted heterogeneous nucleation and only after successive sintering at 1100°C the milled powder transformed into particles of nanograin. In this report, microstructure as well as magnetic properties for the composite is also briefly discussed.

  10. Epitaxial Ferroelectric Ba(0.5)Sr(0.5)TiO3 Thin Films for Room-Temperature High-Frequency Tunable Element Applications

    NASA Technical Reports Server (NTRS)

    Chen, C. L.; Feng, H. H.; Zhang, Z.; Brazdeikis, A.; Miranda, F. A.; VanKeuls, F. W.; Romanofsky, R. R.; Huang, Z. J.; Liou, Y.; Chu, W. K.; hide

    1999-01-01

    Perovskite Ba(0.5)SR(0.5)TiO3 thin films have been synthesized on (001) LaAl03 substrates by pulsed laser ablation. Extensive X-ray diffraction, rocking curve, and pole-figure studies suggest that the films are c-axis oriented and exhibit good in-plane relationship of <100>(sub BSTO)//<100>(sub LAO). Rutherford Backscattering Spectrometry studies indicate that the epitaxial films have excellent crystalline quality with an ion beam minimum yield chi(sub min) Of only 2.6 %. The dielectric property measurements by the interdigital technique at 1 MHz show room temperature values of the relative dielectric constant, epsilon(sub r), and loss tangent, tan(sub delta), of 1430 and 0.007 with no bias, and 960 and 0.001 with 35 V bias, respectively. The obtained data suggest that the as-grown Ba(0.5)SR(0.5)TiO3 films can be used for development of room-temperature high-frequency tunable elements.

  11. Transformation of AeIn4 Indides (Ae = Ba, Sr) into an AeAu2In2 Structure Type Through Gold Substitution

    SciTech Connect

    Dai, Jing-Cao; Corbett, John D.

    2007-04-17

    The title compounds were prepared from the elements by high-temperature solid-state synthesis techniques. X-ray structural analyses shows that BaAu{sub 2}In{sub 2} (1) and SrAu{sub 2}In{sub 2} (2) crystallize in a new orthorhombic structure, Pnma, Z = 4 (a = 8.755(2), 8.530(2) {angstrom}; b = 4.712(1), 4.598(1) {angstrom}; c = 12.368(3), 12.283(4) {angstrom}, respectively). Gold substitutes for 50% of the indium atoms in the tetragonal BaIn{sub 4} and monoclinic SrIn{sub 4} parents to give this new and more flexible orthorhombic structure. The Ae atoms in this structure are contained within chains of hexagonal prisms built of alternating In and Au that have additional augmenting atoms around their waists from further condensation of parallel displaced chains. The driving forces for these structural changes are in part the shorter Au-In distances (2.72 and 2.69 {angstrom}) relative to d(In-In) in the parents, presumably because of relativistic contractions with Au. Generalities about such centered prismatic building blocks and their condensation modes in these and related phases are described. Band structure calculations (EHTB) demonstrate that the two compounds are metallic, which is confirmed by measurements of the resistivity of 1 and the magnetic susceptibilities of both.

  12. Influence of octahedral tilting on the microwave dielectric properties of A3LaNb3O12 hexagonal perovskites (A=Ba, Sr)

    NASA Astrophysics Data System (ADS)

    Rawal, Ritesh; McQueen, Andrew J.; Gillie, Lisa J.; Hyatt, Neil C.; McCabe, Emma E.; Samara, Kumaravinothan; Alford, Neil McN.; Feteira, Antonio; Reaney, Ian M.; Sinclair, Derek C.

    2009-05-01

    Rietveld refinement of room temperature (RT) neutron diffraction (ND) data reveals 12R-type hexagonal perovskites Ba3LaNb3O12 (BLN) and Sr3LaNb3O12 (SLN) to adopt space group R3¯ with tilted NbO6 octahedra. The presence of an octahedral tilt transition (Ttilt) at 465 K in BLN from R3¯ to R3¯m is proposed from a combination of high temperature ND data and fixed frequency permittivity measurements. Ttilt is estimated to be much higher at ˜720 K for SLN. The large difference in the RT temperature coefficient of the resonant frequency (τf), -100 ppm/K for BLN compared to -5 ppm/K for SLN, is attributed to the closer proximity of Ttilt to RT for BLN. τf in these 12R-type hexagonal perovskites can therefore be tuned by controlling the tolerance factor and therefore Ttilt in a manner similar to that used for many Ba- and Sr-based 3C-type ABO3 perovskites.

  13. Strain evolution of each type of grains in poly-crystalline (Ba,Sr)TiO3 thin films grown by sputtering

    PubMed Central

    Park, Woo Young; Park, Min Hyuk; Lee, Jong Ho; Yoon, Jung Ho; Han, Jeong Hwan; Choi, Jung-Hae; Hwang, Cheol Seong

    2012-01-01

    The strain states of [111]-, [110]-, and [002]-oriented grains in poly-crystalline sputtered (Ba,Sr)TiO3 thin films on highly [111]-oriented Pt electrode/Si substrates were carefully examined by X-ray diffraction techniques. Remarkably, [002]-oriented grains respond more while [110]- and [111]-oriented grains do less than the theoretically estimated responses, which is understandable from the arrangement of the TiO6 octahedra with respect to the stress direction. Furthermore, such mechanical responses are completely independent of the degree of crystallization and film thickness. The transition growth temperature between the positive and negative strains was also different depending on the grain orientation. The unstrained lattice parameter for each type of grain was different suggesting that the oxygen vacancy concentration for each type of grain is different, too. The results reveal that polycrystalline (Ba,Sr)TiO3 thin films are not an aggregation of differently oriented grains which simply follow the mechanical behavior of single crystal with different orientations. PMID:23230505

  14. Electrical Characteristics and Preparation of (Ba0.5Sr0.5)TiO3 Films by Spray Pyrolysis and Rapid Thermal Annealing

    NASA Astrophysics Data System (ADS)

    Koo, Horng-Show; Chen, Mi; Ku, Hong-Kou; Kawai, Tomoji

    2007-04-01

    Functional films of (Ba0.5Sr0.5)TiO3 on Pt (1000 Å)/Ti (100 Å)/SiO2 (2000 Å)/Si substrates are prepared by spray pyrolysis and subsequently rapid thermal annealing. Barium nitrate, strontium nitrate and titanium isopropoxide are used as starting materials with ethylene glycol as solvent. For (Ba0.5Sr0.5)TiO3 functional thin film, thermal characteristics of the precursor powder scratched from as-sprayed films show a remarkable peak around 300-400 °C and 57.7% weight loss up to 1000 °C. The as-sprayed precursor film with coffee-like color and amorphous-like phase is transformed into the resultant film with white, crystalline perovskite phase and characteristic peaks (110) and (100). The resultant films show correspondent increases of dielectric constant, leakage current and dissipation factor with increasing annealing temperatures. The dielectric constant is 264 and tangent loss is 0.21 in the resultant films annealed at 750 °C for 5 min while leakage current density is 1.5× 10-6 A/cm2 in the film annealed at 550 °C for 5 min.

  15. High conductive and long-term phase stable anode materials for SOFCs: A2FeMoO6 (A = Ca, Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Huan, Yu; Li, Yining; Yin, Baoyi; Ding, Dong; Wei, Tao

    2017-08-01

    In this work, the mixed oxide-ion/electron conductor (MIEC) double-perovskite compounds A2FeMoO6 (AFMO, A = Ca, Sr, Ba) are investigated as anode materials for O2--ion conducting solid-oxide fuel cells (SOFCs). Several advantages are outlined here; 1) under H2 atmosphere, the conductivities of Ba2FeMoO6 (BFMO), Sr2FeMoO6 (SFMO) and Ca2FeMoO6 (CFMO) reach as high as 243, 302 and 561 S cm-1, respectively, which can be comparable with the commercial NiO-electrolyte anode; 2) excellent structure and phase stability at high temperature and in H2 atmosphere; 3) matched thermodynamic compatibility (such as TECs) with electrolyte materials; 4) fast oxidization for fuel with O2- ions accepted by oxygen vacancies from the electrolyte. Moreover, with H2 as fuel gas, the cell power output, cell's long-term stabilities and the structural parameter are also been examined to evaluate the AFMO anode.

  16. Preparation of Ba0.09Sr0.91TiO3/YBa2Cu3O7-x bilayers and investigation of their dielectric properties

    NASA Astrophysics Data System (ADS)

    Jia, Jiqiang; Zhao, Gaoyang; Shi, Xiaoxue; Lei, Li

    2016-08-01

    YBa2Cu3O7-x (YBCO) films of 110 nm thickness were prepared on LaAlO3 (LAO) substrates via the sol-gel method. Subsequently, about 400 nm thick Ba0.09Sr0.91TiO3 (BST) films were epitaxially grown on the YBCO and LNO films surface; the BST films exhibited a strong c-axis orientation. The dielectric adjustability and relative dielectric constant was investigated in the range of 300-83 K. Results indicate that the tunability of the Ba0.09Sr0.91TiO3/YBa2Cu3O7-x (BST/YBCO) displayed an increase relative to c-axis-oriented BST on LaNiO3 (LNO). The tunability was further enhanced as the operating temperature decreased, yet the loss tangent (tanδ) decreased. The tunability and the tanδ at 100 kHz and 83 K were 58% and 0.029, respectively.

  17. Field emission of silicon emitter arrays coated with sol-gel (Ba0.65Sr0.35)1-xLaxTiO3 thin films

    NASA Astrophysics Data System (ADS)

    Lu, H.; Pan, J. S.; Chen, X. F.; Zhu, W. G.

    2007-07-01

    (Ba0.65Sr0.35)1-xLaxTiO3 (BSLT) thin films with different La concentrations have been deposited on Si field emitter arrays (FEAs) using sol-gel technology for field electron emission applications. The films exhibit the perovskite structure at low La substitution level (x ≤0.5) and the pyrochlore phase at high La concentration (x ≥0.75). The 30-nm-thick BSLT (x =0.25) thin film has higher crystallinity of perovskite structure in the surface region. An x-ray photoelectron spectroscopy study indicates that the oxygen vacancy concentration decreases with La substitution. With respect to the undoped Ba0.65Sr0.35TiO3 thin film, the Fermi level shifts down for the BSLT sample with x =0.1 ascribed to the decreasing oxygen vacancy concentration, and then shifts up for the BSLT sample with x =0.25 attributed to the increasing La substitution level. In highly doped films with an x value over 0.5, it shifts down again associated with the second pyrochlore phase formation. The best enhancement in field emission is found for the BSLT-coated (x =0.25) Si FEAs due to the improved perovskite structure in the surface region and up-moved Fermi level of the coating.

  18. High-performance tellurium-free thermoelectrics: all-scale hierarchical structuring of p-type PbSe-MSe systems (M = Ca, Sr, Ba).

    PubMed

    Lee, Yeseul; Lo, Shih-Han; Androulakis, John; Wu, Chun-I; Zhao, Li-Dong; Chung, Duck-Young; Hogan, Timothy P; Dravid, Vinayak P; Kanatzidis, Mercouri G

    2013-04-03

    We present a systematic study of the characterization and thermoelectric properties of nanostructured Na-doped PbSe embedded with 1-4% MSe (M = Ca, Sr, Ba) phases as endotaxial inclusions. The samples were powder-processed by the spark plasma sintering technique, which introduces mesoscale-structured grains. The hierarchical architectures on the atomic scale (Na and M solid solution), nanoscale (MSe nanoprecipitates), and mesoscale (grains) were confirmed by transmission electron microscopy. These structures produce a great reduction in the lattice thermal conductivity relative to pristine PbSe without appreciably affecting the power factor. The lattice thermal conductivity can be reduced by up to ∼29% when the second phase is added. The highest ZT value achieved was ∼1.3 at 923 K for both 2% SrSe-and 3% BaSe-containing samples, while the sample containing 4% CaSe showed a ZT value of ∼1.2 at 923 K. The optimal samples have hole carrier concentration of 1-2 × 10(20) cm(-3). We attribute the high ZT values to the combination of broad-based phonon scattering on multiple length scales and favorable charge transport through coherent interfaces between the PbSe matrix and MSe.