Structural, optical and electronic properties of K2Ba(NO3)4 crystal

NASA Astrophysics Data System (ADS)

Isaenko, L. I.; Korzhneva, K. E.; Goryainov, S. V.; Goloshumova, A. A.; Sheludyakova, L. A.; Bekenev, V. L.; Khyzhun, O. Y.

2018-02-01

Nitrate crystals reveal nonlinear optical properties and could be considered as converters of laser radiation in the short-wave region. The conditions for obtaining and basic properties of K2Ba(NO3)4 double nitrate crystals were investigated. Crystal growth was implemented by slow cooling in the temperature range of 72-49 °C and low rate evaporation. The structural analysis of K2Ba(NO3)4 formation on the basis of two mixed simple nitrate structures is discussed. The main groups of oscillations in K2Ba(NO3)4 crystal were revealed using Raman and IR spectroscopy, and the table of vibrations for this compound was compiled. The electronic structure of K2Ba(NO3)4 was elucidated in the present work from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectroscopy (XPS) was employed in the present work to measure binding energies of the atoms constituting the titled compound and its XPS valence-band spectrum for both pristine and Ar+ ion-bombarded surfaces. Further, total and partial densities of states of constituent atoms of K2Ba(NO3)4 have been calculated. The calculations reveal that the O 2p states dominate in the total valence-band region of K2Ba(NO3)4 except of its bottom, where K 3p and Ba 5p states are the principal contributors, while the bottom of the conduction band is composed mainly of the unoccupied O 2p states, with somewhat smaller contributions of the N 2p∗ states as well. With respect to the occupation of the valence band by the O 2p states, the present band-structure calculations are confirmed by comparison on a common energy scale of the XPS valence-band spectrum and the X-ray emission O Kα band for the K2Ba(NO3)4 crystal under study. Furthermore, the present calculations indicate that the K2Ba(NO3)4 compound is a direct-gap material.

Hydrothermal syntheses, structures, and properties of the new uranyl selenites Ag(2)(UO(2))(SeO(3))(2), M[(UO(2))(HSeO(3))(SeO(3))] (M = K, Rb, Cs, Tl), and Pb(UO(2))(SeO(3))(2).

PubMed

Almond, Philip M; Albrecht-Schmitt, Thomas E

2002-03-11

The transition metal, alkali metal, and main group uranyl selenites, Ag(2)(UO(2))(SeO(3))(2) (1), K[(UO(2))(HSeO(3))(SeO(3))] (2), Rb[(UO(2))(HSeO(3))(SeO(3))] (3), Cs[(UO(2))(HSeO(3))(SeO(3))] (4), Tl[(UO(2))(HSeO(3))(SeO(3))] (5), and Pb(UO(2))(SeO(3))(2) (6), have been prepared from the hydrothermal reactions of AgNO(3), KCl, RbCl, CsCl, TlCl, or Pb(NO(3))(2) with UO(3) and SeO(2) at 180 degrees C for 3 d. The structures of 1-5 contain similar [(UO(2))(SeO(3))(2)](2-) sheets constructed from pentagonal bipyramidal UO(7) units that are joined by bridging SeO(3)(2-) anions. In 1, the selenite oxo ligands that are not utilized within the layers coordinate the Ag(+) cations to create a three-dimensional network structure. In 2-5, half of the selenite ligands are monoprotonated to yield a layer composition of [(UO(2))(HSeO(3))(SeO(3))](1-), and coordination of the K(+), Rb(+), Cs(+), and Tl(+) cations occurs through long ionic contacts. The structure of 6 contains a uranyl selenite layered substructure that differs substantially from those in 1-5 because the selenite anions adopt both bridging and chelating binding modes to the uranyl centers. Furthermore, the Pb(2+) cations form strong covalent bonds with these anions creating a three-dimensional framework. These cations occur as distorted square pyramidal PbO(5) units with stereochemically active lone pairs of electrons. These polyhedra align along the c-axis to create a polar structure. Second-harmonic generation (SHG) measurements revealed a response of 5x alpha-quartz for 6. The diffuse reflectance spectrum of 6 shows optical transitions at 330 and 440 nm. The trailing off of the 440 nm transition to longer wavelengths is responsible for the orange coloration of 6.

Synthesis, structures, and phase transitions of barium bismuth iridium oxide perovskites Ba{sub 2}BiIrO{sub 6} and Ba{sub 3}BiIr{sub 2}O{sub 9}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, Chris D., E-mail: c.ling@chem.usyd.edu.a; Bragg Institute, ANSTO, PMB 1, Menai 2234; Kennedy, Brendan J.

The Ba-Bi-Ir-O system is found to contain two distinct perovskite-type phases: a rock-salt ordered double perovskite Ba{sub 2}BiIrO{sub 6}; and a 6H-type hexagonal perovskite Ba{sub 3}BiIr{sub 2}O{sub 9}. Ba{sub 2}BiIrO{sub 6} undergoes a series of symmetry-lowering phase transitions on cooling Fm3-barm->R3-barc->12/m(C2/m)->I1-bar(P1-bar), all of which are second order except the rhombohedral->monoclinic one, which is first order. The monoclinic phase is only observed in a 2-phase rhombohedral+monoclinic regime. The transition and 2-phase region lie very close to 300 K, making the room-temperature X-ray diffraction patterns extremely complex and potentially explaining why Ba{sub 2}BiIrO{sub 6} had not previously been identified and reported. Amore » solid solution Ba{sub 2}Bi{sub 1+x}Ir{sub 1-x}O{sub 6}, analogous to Ba{sub 2}Bi{sub 1+x}Ru{sub 1-x}O{sub 6}, 0<=x<=2/3, was not observed. The 6H-type phase Ba{sub 3}BiIr{sub 2}O{sub 9} undergoes a clean second-order phase transition P6{sub 3}/mmc->C2/c at 750 K, unlike 6H-type Ba{sub 3}LaIr{sub 2}O{sub 9}, the P6{sub 3}/mmc structure of which is highly strained below {approx}750 K but fails to distort coherently to the monoclinic phase. - Graphical abstract: Structure of Ba{sub 3}BiIr{sub 2}O{sub 9} at 300 K. BiO{sub 6} octahedra are purple, IrO{sub 6} octahedra are gold, and Ba atoms are green. Thermal ellipsoids at 90% probability.« less

New metal oxides of the family Am[( TO) q]: ALiMn 3O 4 and ALiZn 3O 4 ( A = K, Rb)

NASA Astrophysics Data System (ADS)

Hoppe, R.; Seipp, E.; Baier, R.

1988-01-01

The new compounds KLiMn 3O 4 ( I), RbLiMn 3O 4 ( II), KLiZn 3O 4 ( III) and RbLiZn 3O 4 ( IV) have been prepared by solid state reaction of A2O ( A = K, Rb), Li 2O, and MO ( M = Mn, Zn). The isomorphous compounds are tetragonal, space group {I4}/{m}, Z = 2 , with lattice constants a = 838.32(4) pm, c = 341.88(3) pm for I; a = 840.66(8) pm, c = 344.85(4) pm for II; a = 819.27(9) pm, c = 334.20(7) pm for III,a = 823.62(9) pm, c = 339.73(7) pm for IV, as determined from Guinier X-ray powder patterns. The orange-colored manganates and colorless zincates are sensitive to moisture. The crystal structures of II and III have been determined by single-crystal X-ray techniques and refined to R = 0.09 ( II) and R = 0.06 ( III). The structure is built up from chains of face-shared cubes, 1∞[A O{8}/{2}] (A = K, Rb) , running parallel to the c axis. These are connected by Li + and M2+ ( M = Mn, Zn), statistically distributed on tetrahedral positions between the chains.

Electron affinities of the alkali dimers - Na2, K2, and Rb2

NASA Technical Reports Server (NTRS)

Partridge, H.; Dixon, D. A.; Walch, S. P.; Bauschlicher, C. W., Jr.; Gole, J. L.

1983-01-01

Ab initio calculations on the ground states of the alkali dimers, Na2, K2, and Rb2, and their anions are reported. The calculations employ large Gaussian basis sets and account for nearly all of the valence correlation energy. The calculated atomic electron affinities are within 0.02 eV of experiment and the calculated adiabatic electron affinities for Na2, K2, and Rb2 are, respectively, 0.470, 0.512, and 0.513 eV.

Strong flux pinning at 4.2 K in SmBa2Cu3O y coated conductors with BaHfO3 nanorods controlled by low growth temperature

NASA Astrophysics Data System (ADS)

Miura, S.; Tsuchiya, Y.; Yoshida, Y.; Ichino, Y.; Awaji, S.; Matsumoto, K.; Ibi, A.; Izumi, T.

2017-08-01

In order to apply REBa2Cu3O y (REBCO, RE = rare earth elements or Y) coated conductors in high magnetic field, coil-based applications, the isotropic improvement of their critical current performance with respect to the directions of the magnetic field under these operating conditions is required. Most applications operate at temperatures lower than 50 K and magnetic fields over 2 T. In this study, the improvement of critical current density (J c) performance for various applied magnetic field directions was achieved by controlling the nanostructure of the BaHfO3 (BHO)-doped SmBa2Cu3O y (SmBCO) films on metallic substrates. The corresponding minimum J c value of the films at 40 K under an applied 3 T field was 5.2 MA cm-2, which is over ten times higher than that of a fully optimized Nb-Ti wire at 4.2 K. At 4.2 K, under a 17.5 T field, a flux pinning force density of 1.4 TN m-3 for B//c was realized; this value is among the highest values reported for REBCO films to date. More importantly, the F p for B//c corresponds to the minimum value for various applied magnetic field directions. We investigated the dominant flux pinning centers of films at 4.2 K using the anisotropic scaling approach based on the effective mass model. The dominant flux pinning centers are random pinning centers at 4.2 K, i.e., a high pinning performance was achieved by the high number density of random pins in the matrix of the BHO-doped SmBCO films.

Crystallization kinetics of BaO-Al2O3-SiO2 glasses

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Hyatt, Mark J.

1989-01-01

Barium aluminosilicate glasses are being investigated as matrix materials in high-temperature ceramic composites for structural applications. Kinetics of crystallization of two refractory glass compositions in the barium aluminosilicate system were studied by differential thermal analysis (DTA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). From variable heating rate DTA, the crystallization activation energies for glass compositions (wt percent) 10BaO-38Al2O3-51SiO2-1MoO3 (glass A) and 39BaO-25Al2O3-35SiO2-1MoO3 (glass B) were determined to be 553 and 558 kJ/mol, respectively. On thermal treatment, the crystalline phases in glasses A and B were identified as mullite (3Al2O3-2SiO2) and hexacelsian (BaO-Al2O3-2SiO2), respectively. Hexacelsian is a high-temperature polymorph which is metastable below 1590 C. It undergoes structural transformation into the orthorhombic form at approximately 300 C accompanied by a large volume change which is undesirable for structural applications. A process needs to be developed where stable monoclinic celsian, rather than hexacelsian, precipitates out as the crystal phase in glass B.

Crystallization kinetics of BaO-Al2O3-SiO2 glasses

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Hyatt, Mark J.

1988-01-01

Barium aluminosilicate glasses are being investigated as matrix materials in high-temperature ceramic composites for structural applications. Kinetics of crystallization of two refractory glass compositions in the barium aluminosilicate system were studied by differential thermal analysis (DTA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). From variable heating rate DTA, the crystallization activation energies for glass compositions (wt percent) 10BaO-38Al2O3-51SiO2-1MoO3 (glass A) and 39BaO-25Al2O3-35SiO2-1MoO3 (glass B) were determined to be 553 and 558 kJ/mol, respectively. On thermal treatment, the crystalline phases in glasses A and B were identified as mullite (3Al2O3-2SiO2) and hexacelsian (BaO-Al2O3-2SiO2), respectively. Hexacelsian is a high-temperature polymorph which is metastable below 1590 C. It undergoes structural transformation into the orthorhombic form at approximately 300 C accompanied by a large volume change which is undesirable for structural applications. A process needs to be developed where stable monoclinic celsian, rather than hexacelsian, precipitates out as the crystal phase in glass B.

NO2 uptake under practically relevant conditions on BaO/Pt(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudiyanselage, Kumudu; Szanyi, János

2012-02-01

The formation of nitrites and nitrates (Ba(NOx)2) under practically relevant conditions (PNO2 up to 1.0 Torr and T = 500 K) and their thermal decomposition on BaO (>20 monolayer equivalent (MLE))/Pt(1 1 1) were studied using temperature programmed desorption (TPD), infrared reflection absorption (IRA), and Xray photoelectron (XP) spectroscopies. The exposure of BaO to 1.0 × 10-8 Torr NO2 at 500 K leads to the formation of a Ba(NOx)2 layer with small, disordered crystalline nitrate clusters. Under these conditions (PNO2 = 1.0 × 10-8 Torr and T = 500 K) only the top portion of the BaO layer converts tomore » Ba(NOx)2 and the nitrites in this Ba(NOx)2 layer stay without converting completely to nitrates even after 100 min of NO2 exposure. In the thermal decomposition of Ba(NOx)2, first nitrites decompose, releasing NO and then the decomposition of nitrates occurs via two pathways releasing NO2 and NO + O2. At 500 K and PNO2 ≥ 1.0 × 10-7 Torr, first NO2 reacts with BaO to form small disordered crystalline Ba(NO3)2 particles and then these particles agglomerate to form large, well-ordered (bulk-like) crystalline nitrates as the NO2 exposure increases. The thermal decomposition of these well-ordered, bulk-like crystalline nitrate aggregates occurs in two steps releasing NO2 and NO + O2 in each step in two different temperature regions. NO2 pressure ≥1.0 × 10-5 Torr is required for the complete oxidation of initially formed nitrites to nitrates and the full nitration of the BaO layer at 500 K sample temperature. We gratefully acknowledge the US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US

Impedance spectroscopy of V2O5-Bi2O3-BaTiO3 glass-ceramics

NASA Astrophysics Data System (ADS)

Al-syadi, Aref M.; Yousef, El Sayed; El-Desoky, M. M.; Al-Assiri, M. S.

2013-12-01

The glasses within composition as: (80 - x)V2O5/20Bi2O3/xBaTiO3 with x = 2.5, 5, 7.5 and 10 mol% have been prepared. The glass transition (Tg) increases with increasing BaTiO3 content. Synthesized glasses ceramic containing BaTi4O9, Ba3TiV4O15 nanoparticles of the order of 25-35 nm and 30-46 nm, respectively were estimated using XRD. The dielectric properties over wide ranges of frequencies and temperatures were investigated as a function of BaTiO3 content by impedance spectroscopy measurements. The hopping frequency, ωh, dielectric constant, ɛ', activation energies for the DC conduction, Eσ, the relaxation process, Ec, and stretched exponential parameter β of the glasses samples have been estimated. The, ωh,β, decrease from 51.63 to 0.31 × 106 (s-1), 0.84 to 0.79 with increasing BaTiO3 respectively. Otherwise, the Eσ, increase from 0.279 to 0.306 eV with increasing BaTiO3. The value of dielectric constant equal 9.5·103 for the 2.5BaTiO3/77.5V2O5/20Bi2O3 glasses-ceramic at 330 K for 1 KHz which is ten times larger than that of same glasses composition. Finally the relaxation properties of the investigated glasses are presented in the electric modulus formalism, where the relaxation time and the respective activation energy were determined.

Topologically identical, but geometrically isomeric layers in hydrous α-, β-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O and anhydrous Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Na; Klepov, Vladislav V.; Villa, Eric M.

2014-07-01

The hydrothermal reaction of uranyl nitrate with rubidium nitrate and arsenic (III) oxide results in the formation of polymorphic α- and β-Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O (α-, β-RbUAs) and the anhydrous phase Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] (RbUAs). These phases were structurally, chemically and spectroscopically characterized. The structures of all three compounds are based upon topologically identical, but geometrically isomeric layers. The layers are linked with each other by means of the Rb cations and hydrogen bonding. Dehydration experiments demonstrate that water deintercalation from hydrous α- and β-RbUAs yields anhydrous RbUAs via topotactic reactions. - Graphical abstract: Three differentmore » layer geometries observed in the structures of Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})] and α- and β- Rb[UO{sub 2}(AsO{sub 3}OH)(AsO{sub 2}(OH){sub 2})]·H{sub 2}O. Two different coordination environments of uranium polyhedra (types I and II) are shown schematically on the top of the figure. - Highlights: • Three new uranyl arsenates were synthesized from the hydrothermal reactions. • The phases consist of the topologically identical but geometrically different layers. • Topotactic transitions were observed in the processes of mono-hyrates dehydration.« less

Decorating TiO2 Nanowires with BaTiO3 Nanoparticles: A New Approach Leading to Substantially Enhanced Energy Storage Capability of High-k Polymer Nanocomposites.

PubMed

Kang, Da; Wang, Guanyao; Huang, Yanhui; Jiang, Pingkai; Huang, Xingyi

2018-01-31

The urgent demand of high energy density and high power density devices has triggered significant interest in high dielectric constant (high-k) flexible nanocomposites comprising dielectric polymer and high-k inorganic nanofiller. However, the large electrical mismatch between polymer and nanofiller usually leads to earlier electric failure of the nanocomposites, resulting in an undesirable decrease of electrical energy storage capability. A few studies show that the introduction of moderate-k shell onto a high-k nanofiller surface can decrease the dielectric constant mismatch, and thus, the corresponding nanocomposites can withstand high electric field. Unfortunately, the low apparent dielectric enhancement of the nanocomposites and high electrical conductivity mismatch between matrix and nanofiller still result in low energy density and low efficiency. In this study, it is demonstrated that encapsulating moderate-k nanofiller with high-k but low electrical conductivity shell is effective to significantly enhance the energy storage capability of dielectric polymer nanocomposites. Specifically, using BaTiO 3 nanoparticles encapsulated TiO 2 (BaTiO 3 @TiO 2 ) core-shell nanowires as filler, the corresponding poly(vinylidene fluoride-co-hexafluoropylene) nanocomposites exhibit superior energy storage capability in comparison with the nanocomposites filled by either BaTiO 3 or TiO 2 nanowires. The nanocomposite film with 5 wt % BaTiO 3 @TiO 2 nanowires possesses an ultrahigh discharged energy density of 9.95 J cm -3 at 500 MV m -1 , much higher than that of commercial biaxial-oriented polypropylene (BOPP) (3.56 J cm -3 at 600 MV m -1 ). This new strategy and corresponding results presented here provide new insights into the design of dielectric polymer nanocomposites with high electrical energy storage capability.

Mössbauer spectroscopy study of magnetic fluctuations in superconducting RbGd2Fe4As4O2

NASA Astrophysics Data System (ADS)

Li, Y.; Wang, Z. C.; Cao, G. H.; Zhang, J. M.; Zhang, B.; Wang, T.; Pang, H.; Li, F. S.; Li, Z. W.

2018-05-01

57Fe Mössbauer spectra were measured at different temperatures between 5.9 K and 300 K on the recently discovered self-doped superconducting RbGd2Fe4As4O2 with Tc as high as 35 K. Singlet pattern was observed down to the lowest temperature measured in this work, indicating the absence of static magnetic order on the Fe site. The intermediate isomer shift in comparison with that of the samples RbFe2As2 and GdFeAsO confirms the self doping induced local electronic structure change. Surprisingly, we observe two magnetic fluctuation induced spectral broadenings below ∼ 15 K and ∼ 100 K which are believed to be originated from the transferred magnetic fluctuations of the Gd3+ moments and that of the magnetic fluctuations of the Fe atoms, respectively.

Method of Preparing Monoclinic BaO.Al2O3.2SiO2

DTIC Science & Technology

Monoclinic celsian (BaO.Al2O3.2SiO2) is produced by heating a stoichiometric, powder mixture of BaCO3 (or BaC2O4), Al2O3, and SiO2 (preferably SiO2 gel) with monoclinic celsian seeds at from 1250 deg C to 1500 deg C.

Crystal structures of K2[XSi5O12] (X = Fe2+, Co, Zn) and Rb2[XSi5O12] (X = Mn) leucites: comparison of monoclinic P21/c and Ia{\\overline 3}d polymorph structures and inverse relationship between tetrahedral cation (T = Si and X)-O bond distances and intertetrahedral T-O-T angles.

PubMed

Bell, Anthony M T; Henderson, C Michael B

2018-06-01

The leucite tectosilicate mineral analogues K 2 X 2+ Si 5 O 12 (X = Fe 2+ , Co, Zn) and Rb 2 X 2+ Si 5 O 12 (X = Mn) have been synthesized at elevated temperatures both dry at atmospheric pressure and at controlled water vapour pressure; for X = Co and Zn both dry and hydrothermally synthesized samples are available. Rietveld refinement of X-ray data for hydrothermal K 2 X 2+ Si 5 O 12 (X = Fe 2+ , Co, Zn) samples shows that they crystallize in the monoclinic space group P2 1 /c and have tetrahedral cations (Si and X) ordered onto distinct framework sites [cf. hydrothermal K 2 MgSi 5 O 12 ; Bell et al. (1994a), Acta Cryst. B50, 560-566]. Dry-synthesized K 2 X 2+ Si 5 O 12 (X = Co, Zn) and Rb 2 X 2+ Si 5 O 12 (X = Mn) samples crystallize in the cubic space group Ia{\\overline 3}d and with Si and X cations disordered in the tetrahedral framework sites as typified by dry K 2 MgSi 5 O 12 . Both structure types have tetrahedrally coordinated SiO 4 and XO 4 sharing corners to form a partially substituted silicate framework. Extraframework K + and Rb + cations occupy large channels in the framework. Structural data for the ordered samples show that mean tetrahedral Si-O and X-O bond lengths cover the ranges 1.60 Å (Si-O) to 2.24 Å (Fe 2+ -O) and show an inverse relationship with the intertetrahedral angles (T-O-T) which range from 144.7° (Si-O-Si) to 124.6° (Si-O-Fe 2+ ). For the compositions with both disordered and ordered tetrahedral cation structures (K 2 MgSi 5 O 12 , K 2 CoSi 5 O 12 , K 2 ZnSi 5 O 12 , Rb 2 MnSi 5 O 12 and Cs 2 CuSi 5 O 12 leucites) the disordered polymorphs always have larger unit-cell volumes, larger intertetrahedral T-O-T angles and smaller mean T-O distances than their isochemical ordered polymorphs. The ordered samples clearly have more flexible frameworks than the disordered structures which allow the former to undergo a greater degree of tetrahedral collapse around the interframework cavity cations. Multivariant linear regression has

Roles of Pt and BaO in the Sulfation of Pt/BaO/Al2O3 Lean NOx Trap Materials: Sulfur K-edge XANES and Pt Llll XAFS Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim,D.; Kwak, J.; Szanyi, J.

2008-01-01

The roles of barium oxide and platinum during the sulfation of Pt-BaO/Al2O3 lean NOx trap catalysts were investigated by S K edge XANES (X-ray absorption near-edge spectroscopy) and Pt LIII XAFS (X-ray absorption fine structure). All of the samples studied [Al2O3, BaO(x; x = 8 or 20 wt %)/Al2O3, Pt(2.5 wt %)/Al2O3, and Pt(2 wt %)-BaO(x; x = 8 or 20 wt %)/Al2O3] were pre-sulfated prior to the X-ray absorption measurements. It was found that barium oxide itself has the ability to directly form barium sulfate even in the absence of Pt and gas-phase oxygen. In the platinum-containing samples, themore » presence of Pt-O species plays an important role in the formation of sulfate species. For the case of the BaO(8)/Al2O3 sample, where the barium coverage is about 0.26 ML, both baria and alumina phases are available for sulfation. S XANES results show that barium sulfates are formed preferentially over aluminum sulfates. When oxygen is absent from the gas phase, the sulfation route that involves Pt-O is eliminated after the initially present Pt-O species are completely consumed. In this case, formation of sulfates is suppressed unless barium oxide is also present. Pt LIII XAFS results show that the first coordination sphere around the Pt atoms in the Pt particles is dependent upon the gas mixture used during the sulfation process. Sulfation under reducing environments (e.g., SO2/H2) leads to formation of Pt-S bonds, while oxidizing conditions (e.g., SO2/O2) continue to show the presence of Pt-O bonds. In addition, a reducing environment was found to cause Pt sintering in greater extent than an oxidizing one. This result explains why samples sulfated under reducing conditions had lower NOx uptakes than those sulfated under oxidizing conditions. Therefore, our results provide needed information for the development of optimum practical operation conditions (e.g., sulfation or desulfation) for lean NOx trap catalysts that minimize deactivation by sulfur.« less

Spin-Coating and Characterization of Multiferroic MFe2O4 (M=Co, Ni) / BaTiO3 Bilayers

NASA Astrophysics Data System (ADS)

Quandt, Norman; Roth, Robert; Syrowatka, Frank; Steimecke, Matthias; Ebbinghaus, Stefan G.

2016-01-01

Bilayer films of MFe2O4 (M=Co, Ni) and BaTiO3 were prepared by spin coating of N,N-dimethylformamide/acetic acid solutions on platinum coated silicon wafers. Five coating steps were applied to get the desired thickness of 150 nm for both the ferrite and perovskite layer. XRD, IR and Raman spectroscopy revealed the formation of phase-pure ferrite spinels and BaTiO3. Smooth surfaces with roughnesses in the order of 3 to 5 nm were found in AFM investigations. Saturation magnetization of 347 emu cm-3 for the CoFe2O4/BaTiO3 and 188 emu cm-3 for the NiFe2O4/BaTiO3 bilayer, respectively were found. For the CoFe2O4/BaTiO3 bilayer a strong magnetic anisotropy was observed with coercivity fields of 5.1 kOe and 3.3 kOe (applied magnetic field perpendicular and parallel to film surface), while for the NiFe2O4/BaTiO3 bilayer this effect is less pronounced. Saturated polarization hysteresis loops prove the presence of ferroelectricity in both systems.

Roles of Pt and BaO in the Sulfation of Pt/BaO/Al2O3 Lean NOx Trap Materials: Sulfur K-edge XANES and Pt LIII XAFS Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Do Heui; Kwak, Ja Hun; Szanyi, Janos

2008-02-28

The roles of barium oxide and platinum during the sulfation of Pt-BaO/Al2O3 lean NOx trap catalysts were investigated by S K edge XANES (X-ray absorption near-edge spectroscopy) and Pt LIII XAFS (X-ray absorption fine structure). All of the samples studied (Al2O3, BaO/Al2O3, Pt/Al2O3 and Pt-BaO/Al2O3) were pre-sulfated prior to the X-ray absorption measurements. It was found that barium oxide itself has the ability to directly form barium sulfate even in the absence of Pt and gas phase oxygen. In the platinum-containing samples, the presence of Pt-O species plays an important role in the formation of sulfate species. Even if bariummore » and aluminum sites are available for SO2 to form sulfate, for the case of the BaO(8)/Al2O3 sample, where the barium coverage is about 0.26 ML, S XANES spectroscopy results show that barium sulfates are preferentially produced over aluminum sulfates . When oxygen is absent from the gas phase, the sulfation route that involves Pt-O is eliminated after the initially present Pt-O species are completely consumed. In this case, formation of sulfates is suppressed unless barium oxide is also present. Pt LIII XAFS results show that the first coordination sphere around the Pt atoms in the Pt particles is dependent upon the redox nature of the gas mixture used during the sulfation process. Sulfation under reducing environments (e.g. SO2+H2) leads to formation of Pt-S bonds, while oxidizing conditions (e.g. SO2+O2) continue to show the presence of Pt-O bonds. In addition, the former condition was found to give rise to a higher degree of Pt sintering than the latter one. This result explains why samples sulfated under reducing conditions had lower NOx uptakes than those sulfated under oxidizing conditions. Therefore, our results provide needed information for the development of optimum practical operation conditions (e.g. sulfation or desulfation) for lean NOx trap catalysts that minimize deactivation by sulfur.« less

Phase relationships in the BaO-Ga2O3-Ta2O5 system and the structure of Ba6Ga21TaO40.

PubMed

Cao, Jiang; Yu, Xiaodi; Kuang, Xiaojun; Su, Qiang

2012-07-16

Phase relationships in the BaO-Ga(2)O(3)-Ta(2)O(5) ternary system at 1200 °C were determined. The A(6)B(10)O(30) tetragonal tungsten bronze (TTB) related solution in the BaO-Ta(2)O(5) subsystem dissolved up to ~11 mol % Ga(2)O(3), forming a ternary trapezoid-shaped TTB-related solid solution region defined by the BaTa(2)O(6), Ba(1.1)Ta(5)O(13.6), Ba(1.58)Ga(0.92)Ta(4.08)O(13.16), and Ba(6)GaTa(9)O(30) compositions in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Two ternary phases Ba(6)Ga(21)TaO(40) and eight-layer twinned hexagonal perovskite solid solution Ba(8)Ga(4-x)Ta(4+0.6x)O(24) were confirmed in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Ba(6)Ga(21)TaO(40) crystallized in a monoclinic cell of a = 15.9130(2) Å, b = 11.7309(1) Å, c = 5.13593(6) Å, β = 107.7893(9)°, and Z = 1 in space group C2/m. The structure of Ba(6)Ga(21)TaO(40) was solved by the charge flipping method, and it represents a three-dimensional (3D) mixed GaO(4) tetrahedral and GaO(6)/TaO(6) octahedral framework, forming mixed 1D 5/6-fold tunnels that accommodate the Ba cations along the c axis. The electrical property of Ba(6)Ga(21)TaO(40) was characterized by using ac impedance spectroscopy.

Single crystals of the 96 K superconductor (Hg,Cu)Ba2CuO4+δ: Growth, structure and magnetism

NASA Astrophysics Data System (ADS)

Pelloquin, D.; Hardy, V.; Maignan, A.; Raveau, B.

1997-02-01

Single crystals of the 1201 (n = 1) (Hg,Cu)Ba2CuO4+δ mercury based cuprate have been grown by using a simple process without dry box. The as-synthesized crystals exhibit constant Tc(onset) of 96 K with sharp superconducting transitions. The electron microscopy coupled with EDX analyses evidence a ``1201''-type structure while a mercury deficiency is observed balanced by an excess of copper. The structural refinements based on single-crystal X-ray diffraction data confirm the electron deficiency on the Hg site (0,0,0) and show a splitting of the latter along the c axis correlated to the partial substitution of Cu for Hg. This structural study leads to the following formula Hg0.84Cu0.16Ba2CuO4.19. The magnetic study of a large crystal (1.1 × 0.38 × 0.065 mm3) shows that the (Hg,Cu)-1201 crystals exhibit an irreversibility line higher than that of the 1201 Hg0.8Bi0.2Ba2CuO4+δ crystal (Tc = 75 K). From the reversible magnetization, a λab(0) = 2470 Å value can be extrapolated. Using a 3D-2D decoupling formula, we obtain γ = 29 for the electronic anisotropy of this phase.

Highly efficient red-emitting BaMgBO3F:Eu3+,R+ (R: Li, Na, K, Rb) phosphor for near-UV excitation synthesized via glass precursor solid-state reaction

NASA Astrophysics Data System (ADS)

Shinozaki, Kenji; Akai, Tomoko

2017-09-01

Eu3+-doped fluoroborate crystals of BaMgBO3F were synthesized by a solid-state reaction using a glassy precursor material, and their photoluminescence (PL) was investigated. To compensate for the incorporation of Eu3+ into Ba2+ sites, samples codoped with alkali ions (Li+, Na+, K+, Rb+) were also prepared. The Eu3+-doped sample showed red PL with a quantum yield (QY) of 65% caused by near-UV excitation (λ = 393 nm), and PL intensity and QY increased with the codoping of Eu3+ and alkali ions. It was found that the Eu3+,Li+-codoped sample showed the highest PL intensity and a QY of 83%.

Dielectric properties of (CuO, CaO2, and BaO)y/CuTl-1223 composites

NASA Astrophysics Data System (ADS)

Mumtaz, M.; Kamran, M.; Nadeem, K.; Jabbar, Abdul; Khan, Nawazish A.; Saleem, Abida; Tajammul Hussain, S.; Kamran, M.

2013-07-01

We synthesized (CuO, CaO2, and BaO)y/Cu0.5Tl0.5Ba2Ca2Cu3O10-δ (y = 0, 5%, 10%, 15%) composites by solid-state reaction and characterized them by x-ray diffraction, scanning electron microscopy, dc-resistivity, and Fourier transform infrared spectroscopy. Frequency and temperature dependent dielectric properties, such as real and imaginary parts of the dielectric constant, dielectric loss, and ac-conductivity of these composites were studied by capacitance and conductance measurements as a function of frequency (10 kHz to 10 MHz) and temperature (78 to 300 K). X-ray diffraction analysis reveals that the characteristic behavior of the superconductor phase and the structure of Cu0.5Tl0.5Ba2Ca2Cu3O10-δ are nearly undisturbed by doping with nanoparticles. Scanning electron microscopy images show the improvement in the intergranular linking between the superconducting grains occurring with increasing nanoparticle concentration. Microcracks are healed up with these nanoparticles, and superconducting volume fraction is also increased. Dielectric properties of these composites strongly depend on the frequency and temperature. Zero resistivity critical temperature and dielectric properties show opposite trends with the addition of nanoparticles to the Cu0.5Tl0.5Ba2Ca2Cu3O10-δ superconductor matrix.

Manganese Recovery by Silicothermic Reduction of MnO in BaO-MnO-MgO-CaF2 (-SiO2) Slags

NASA Astrophysics Data System (ADS)

Heo, Jung Ho; Park, Joo Hyun

2018-04-01

The effects of reducing agent, CaF2 content, and reaction temperature upon the silicothermic reduction of MnO in the BaO-MnO-MgO-CaF2 (-SiO2) slags were investigated. Mn recovery was proportional to Si activity in the molten alloy. Moreover, 90 pct yield of Mn recovery was obtained under 5 mass pct CaF2 content and 1873 K (1600 °C) reaction temperature. Increasing CaF2 content above 5 pct yielded little or no further increase in Mn recovery, because it was accompanied by increased slag viscosity owing to the precipitation of high melting point compounds such as Ba2SiO4.

Electronic structure and fundamental absorption edges of KPb2Br5, K0.5Rb0.5Pb2Br5, and RbPb2Br5 single crystals

NASA Astrophysics Data System (ADS)

Tarasova, A. Yu.; Isaenko, L. I.; Kesler, V. G.; Pashkov, V. M.; Yelisseyev, A. P.; Denysyuk, N. M.; Khyzhun, O. Yu.

2012-05-01

X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated (001) surfaces of KPb2Br5, K0.5Rb0.5Pb2Br5, and RbPb2Br5 single crystals grown by the Bridgman method have been measured and fundamental absorption edges of the ternary bromides have been recorded in the polarized light at 300 K and 80 K. The present X-ray photoelectron spectroscopy (XPS) results reveal high chemical stability of (001) surfaces of KxRb1-xPb2Br5 (x=0, 0.5, and 1.0) single crystals. Substitution of potassium for rubidium in KxRb1-xPb2Br5 does not cause any changes of binding energy values and shapes of the XPS constituent element core-level spectra. Measurements of the fundamental absorption edges indicate that band gap energy, Eg, increases by about 0.14 and 0.19 eV when temperature decreases from 300 K to 80 K in KPb2Br5 and RbPb2Br5, respectively. Furthermore, there is no dependence of the Eg value for KPb2Br5 upon the light polarization, whilst the band gap energy value for RbPb2Br5 is bigger by 0.03-0.05 eV in the case of E‖c compared to those in the cases of E‖a and E‖b.

A3V5O14 (A = K+, Rb+, or Tl+), new polar oxides with a tetragonal tungsten bronze related structural topology: synthesis, structure, and functional properties.

PubMed

Yeon, Jeongho; Kim, Sang-Hwan; Halasyamani, P Shiv

2010-08-02

Three polar noncentrosymmetric (NCS) oxide materials, A(3)V(5)O(14) (A = K(+), Rb(+), or Tl(+)), have been synthesized by hydrothermal and conventional solid state techniques. Their crystal structures and functional properties (second-harmonic generation, piezoelectricity, and polarization) have been determined. The iso-structural materials exhibit a layered structural topology that consists of corner-sharing VO(4) tetrahedra and VO(5) square pyramids. The layers stack parallel to the c-axis direction and are separated by the K(+), Rb(+), or Tl(+) cations. Powder second-harmonic generation (SHG) measurements using 1064 nm radiation indicate the materials exhibit moderate SHG efficiencies of approximately 100 x alpha-SiO(2). Additional SHG measurements, that is, particle size versus SHG efficiency, indicate the materials are type-I phase-matchable. Converse piezoelectric measurements for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) revealed d(33) values of 28, 22, and 26 pm/V, respectively. Pyroelectric measurements, that is, temperature-dependent polarization measurements, resulted in pyroelectric coefficients of -2.2, -2.9, and -2.8 microC/m(2) x K at 65 degrees C, for K(3)V(5)O(14), Rb(3)V(5)O(14), and Tl(3)V(5)O(14) respectively. Frequency-dependent polarization measurements confirmed that all of the materials are nonferroelectric, consistent with our first principle density functional theory (DFT) electronic structure calculations. Infrared, UV-vis, thermogravimetric, and differential scanning calorimetry measurements were also performed. Crystal data: K(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.6970(16) A, c = 4.9434(19) A, V = 323.81(15), and Z = 1; Rb(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7092(5) A, c = 5.2772(7) A, V = 346.65(5), and Z = 1; Tl(3)V(5)O(14), trigonal, space group P31m (No. 157), a = 8.7397(8) A, c = 5.0846(10) A, V = 336.34(8), and Z = 1.

Crystal chemistry of elpidite from Khan Bogdo (Mongolia) and its K- and Rb-exchanged forms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grigor'eva, A. A.; Zubkova, N. V., E-mail: nata_zubkova@rambler.ru; Pekov, I. V.

2011-09-15

Elpidite Na{sub 2}ZrSi{sub 6}O{sub 15} {center_dot} 3H{sub 2}O [space group Pbcm, a = 7.1312(12), b = 14.6853(12), and c = 14.6349(15) Angstrom-Sign ] from Khan Bogdo (Mongolia) and its K- and Rb-exchanged forms K{sub 1.78}Na{sub 0.16}H{sub 0.06}ZrSi{sub 6}O{sub 15} {center_dot} 0.85H{sub 2}O [Cmce, a = 14.054(3), b = 14.308(3), and c = 14.553(3) Angstrom-Sign ] and Na{sub 1.58}Rb{sub 0.2}H{sub 0.22}ZrSi{sub 6}O{sub 15} {center_dot} 2.69H{sub 2}O [Pbcm, a = 7.1280(10), b = 14.644(3), and c = 14.642(3) Angstrom-Sign ] that were obtained by cation exchange at 90 Degree-Sign C, as well as K{sub 1.84}Na{sub 0.11}H{sub 0.05}ZrSi{sub 6}O{sub 15} {center_dot} 0.91H{sub 2}Omore » [Cmce, a = 14.037(3), b = 14.226(3), and c = 14.552(3) Angstrom-Sign ] and Rb{sub 1.78}Na{sub 0.06}H{sub 0.16}ZrSi{sub 6}O{sub 15} {center_dot} 0.90H{sub 2}O [Cmce, a = 14.2999(12), b = 14.4408(15), and c = 14.7690(12) Angstrom-Sign ], obtained at 150 Degree-Sign C are studied by single-crystal X-ray diffraction and IR spectroscopy. The base of the structures is a heteropolyhedral Zr-Si-O framework whose cavities accommodate Na (K, Rb) cations and H{sub 2}O molecules.« less

Infrared and TPD studies of nitrates adsorbed on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, BaO, and MgO/{gamma}-Al{sub 2}O{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chi, Y.; Chuang, S.S.C.

2000-05-18

NO and O{sub 2} coadsorption on {gamma}-Al{sub 2}O{sub 3}-supported Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, BaO, and MgO has been investigated by in situ infrared spectroscopy coupled with temperature-programmed decomposition and desorption. BaO/{gamma}-Al{sub 2}O{sub 3} and MgO/{gamma}-Al{sub 2}O{sub 3} possess a higher NO{sub x} storage capability than Tb{sub 4}O{sub 7}/{gamma}-Al{sub 2}O{sub 3} and La{sub 2}O{sub 3}/{gamma}-Al{sub 2}O{sub 3}. NO/O{sub 2} coadsorbed on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO in the form of bridging bidentate, chelating bidentate, and monodentate nitrates, and on MgO in the form of bridging bidentate and monodentate nitrates via the reaction of adsorbed NO withmore » adsorbed oxygen at 298 K. NO/O{sub 2} coadsorbed as a chelating bidentate nitrate on Tb{sub 4}O{sub 7} and La{sub 2}O{sub 3}, and as a distinctive bridging bidentate nitrate on BaO and MgO via the reaction of adsorbed NO with surface lattice oxygen at 523 K. These various forms of adsorbed nitrate differ in structure and reactivity from Tb(NO{sub 3}){sub 3}, La(NO{sub 3}){sub 3}, Ba(NO{sub 3}){sub 2}, and Mg(NO{sub 3}){sub 2}, the precursor used to prepare metal oxides for NO/O{sub 2} coadsorption. Temperature-programmed desorption (TPD) of chelating bidentate nitrate on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO produced primarily NO and O{sub 2}, with maxima at 640 and 670 K, respectively. TPD of bridging bidentate nitrate and monodentate nitrate on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO produced NO and O{sub 2} as major products and N{sub 2} and N{sub 2}O as minor products, at 320--500 K. Decomposition of bridging bidentate on MgO produced NO as a major product and N{sub 2}O as a minor product at a peak temperature of 690 K. Peak temperatures for Tb(NO{sub 3}){sub 3}, La(NO{sub 3}){sub 3}, Ba(NO{sub 3}){sub 2}, and Mg(NO{sub 3}){sub 2} decomposition occurred between those for bridging and chelating nitrates. The difference in stability between

Na, K, Rb, and Cs Exchange in Heulandite Single-Crystals: X-Ray Structure Refinements at 100 K

NASA Astrophysics Data System (ADS)

Yang, Ping; Armbruster, Thomas

1996-04-01

The crystal structures of Na-, K-, Rb-, and Cs-exchanged varieties of the zeolite heulandite with the simplified compositionM+9Al9Si27O72·nH2O were studied by single-crystal X-ray diffraction at 100 K. The structure refinements of Na-, K-, and Rb-exchanged heulandite were performed in space groupC2/mwith resultantRvalues of 3.8, 3.0, and 4.9%, respectively. Cs-exchanged heulandite was refined in space groupC[formula], yielding anRvalue of 3.4%. X-ray single-crystal data of the Cs-exchanged variety indicated that many reflections of typeh k lwere not equivalent toh -k las expected for monoclinic symmetry. With increasing radius of the incorporated channel cations, thebaxis increases from 17.93 to 18.09 Å leading to a slight widening of the channels. The number of H2O molecules also decreases with increasing cation radius due to space limitations. Three general cation positions (II-1,C3, andB4) were found in the four exchanged heulandite samples. For Rb- and Cs-exchanged crystals, the additional cation siteA2 occurs. In Cs-exchanged heulandite symmetry lowering is due to partial Si, Al ordering in the framework accompanied with a more asymmetric arrangement of channel Cs. Only if heavy elements in the channels are present the symmetry information of the framework is enforced, thus partial Si, Al ordering can be resolved.

Characterization of ZrO2 buffer layers for sequentially evaporated Y-Ba-CuO on Si and Al2O3 substrates

NASA Technical Reports Server (NTRS)

Valco, George J.; Rohrer, Norman J.; Pouch, John J.; Warner, Joseph D.; Bhasin, Kul B.

1988-01-01

Thin film high temperature superconductors have the potential to change the microwave technology for space communications systems. For such applications it is desirable that the films be formed on substrates such as Al2O3 which have good microwave properties. The use of ZrO2 buffer layers between Y-Ba-Cu-O and the substrate has been investigated. These superconducting films have been formed by multilayer sequential electron beam evaporation of Cu, BaF2 and Y with subsequent annealing. The three layer sequence of Y/BaF2/Cu is repeated four times for a total of twelve layers. Such a multilayer film, approximately 1 micron thick, deposited directly on SrTiO3 and annealed at 900 C for 45 min produces a film with a superconducting onset of 93 K and critical temperature of 85 K. Auger electron spectroscopy in conjunction with argon ion sputtering was used to obtain the distribution of each element as a function of depth for an unannealed film, the annealed film on SrTiO3 and annealed films on ZrO2 buffer layers. The individual layers were apparent. After annealing, the bulk of the film on SrTiO3 is observed to be fairly uniform while films on the substrates with buffer layers are less uniform. The Y-Ba-Cu-O/ZrO2 interface is broad with a long Ba tail into the ZrO2, suggesting interaction between the film and the buffer layer. The underlying ZrO2/Si interface is sharper. The detailed Auger results are presented and compared with samples annealed at different temperatures and durations.

Preparation, Crystal Structure, Dielectric Properties, and Magnetic Behavior of Ba 2Fe 2Ti 4O 13

NASA Astrophysics Data System (ADS)

Vanderah, T. A.; Huang, Q.; Wong-Ng, W.; Chakoumakos, B. C.; Goldfarb, R. B.; Geyer, R. G.; Baker-Jarvis, J.; Roth, R. S.; Santoro, A.

1995-11-01

The preparation, crystal structure, dielectric properties, and magnetic behavior of the new compound Ba2Fe2Ti4O13 are reported. Structural studies carried out by single-crystal X-ray diffraction and neutron powder diffraction show that this phase is isostructural with K2Ti6O13 and Ba2ZnTi5O13 (C2/m (No. 12); a = 15.216(1), b = 3.8979(3), c = 9.1350(6) Å, β = 98.460(7)°; V = 535.90(8) Å3; Z = 2). The cations Fe3+ and Ti4+ are partially ordered among distorted octahedral sites with Ba2+ occupying eleven-coordinated polyhedra. Ba2Fe2Ti4O13 exhibits TE0 resonance near 10 GHz with a dielectric constant of ∼28 and a dielectric loss tangent of 2 × 10-3. The compound displays complex paramagnetic behavior with marked field dependence; the magnetization at 80 kA/m is several orders of magnitude smaller than that of most ferrites. Spin-glass effects have not been observed; however, weak collective interactions are clearly present. No magnetic ordering has been detected by neutron diffraction down to 13 K.

Effect of Rb2O and Cs2O on Inclusion Removal in 321 Stainless Steels Using Novel Basic Tundish Fluxes

NASA Astrophysics Data System (ADS)

Choi, Kyunsuk; Kang, Youngjo; Sohn, Il

2016-06-01

Inclusion removal and modification of the 321 stainless steel using Rb2O- and Cs2O-containing novel basic tundish flux has been investigated. The average inclusion diameter was significantly lowered after reaction of the liquid metal with the flux after 45 minutes in an induction furnace set at 1823 K (1550 °C) under an Ar atmosphere. The number of inclusions was also decreased with increased reaction time and the majority of the inherent TiN inclusions were removed after reaction with the proposed novel basic tundish flux. Spinel inclusions were also observed after the reaction, which was due to the reaction of the MgO crucible and the CaO-Al2O3-SiO2-MgO-` x'wt pct R2O flux system at fixed CaO/(Al2O3 + SiO2) of 1.45. The Rb2O and Cs2O seemed to have allowed significant removal of the TiN inclusions due to its ion compensation effect and the supplement of free oxygen ions, while increasing the viscosity of the slag to retain the absorbed inclusions.

The conserved potassium channel filter can have distinct ion binding profiles: Structural analysis of rubidium, cesium, and barium binding in NaK2K

PubMed Central

Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant

2014-01-01

Potassium channels are highly selective for K+ over the smaller Na+. Intriguingly, they are permeable to larger monovalent cations such as Rb+ and Cs+ but are specifically blocked by the similarly sized Ba2+. In this study, we used structural analysis to determine the binding profiles for these permeant and blocking ions in the selectivity filter of the potassium-selective NaK channel mutant NaK2K and also performed permeation experiments using single-channel recordings. Our data revealed that some ion binding properties of NaK2K are distinct from those of the canonical K+ channels KcsA and MthK. Rb+ bound at sites 1, 3, and 4 in NaK2K, as it does in KcsA. Cs+, however, bound predominantly at sites 1 and 3 in NaK2K, whereas it binds at sites 1, 3, and 4 in KcsA. Moreover, Ba2+ binding in NaK2K was distinct from that which has been observed in KcsA and MthK, even though all of these channels show similar Ba2+ block. In the presence of K+, Ba2+ bound to the NaK2K channel at site 3 in conjunction with a K+ at site 1; this led to a prolonged block of the channel (the external K+-dependent Ba2+ lock-in state). In the absence of K+, however, Ba2+ acts as a permeating blocker. We found that, under these conditions, Ba2+ bound at sites 1 or 0 as well as site 3, allowing it to enter the filter from the intracellular side and exit from the extracellular side. The difference in the Ba2+ binding profile in the presence and absence of K+ thus provides a structural explanation for the short and prolonged Ba2+ block observed in NaK2K. PMID:25024267

Synthesis and superconductivity of highly underdoped HgBa2CuO4+δ

NASA Astrophysics Data System (ADS)

Edwards, P. P.; Gameson, I.; Fletcher, A.; Peacock, G. B.

1998-05-01

The highest transition temperature superconductors are found within the complex homologous series HgBa2Can-1CunO2n+2+δ (n=1-7), with the third member, HgBa2Ca2Cu3O8+δ possessing the record-high transition temperature (Tc) of 135 K at room pressure. The first member of this family, HgBa2CuO4+δ having a Tc of up to 97 K, displays the highest transition temperature for any analogous compounds with a single copper-layer. The chemical reaction for the formation of this material is intrinsically complex due to the natural high volatility of mercury-bearing compounds; chemical synthesis has been postulated to proceed via a solid-vapour reaction. With this in mind, we have developed a mixed solid/vapour phase synthesis for HgBa2CuO4+δ using what one might term a `remote' source of mercury, in this case elemental Hg itself. Interestingly, because of the zero oxidation state of elemental mercury in the reagent mixture, the synthesis reaction proceeds under reducing conditions. By this route, a highly underdoped state (Tc<=35 K) of the superconducting phase HgBa2CuO4+δ is readily obtained. This level of underdoping is extremely difficult to achieve by more conventional synthetic routes. We comment on the unusually high oxygen affinity of the resulting underdoped compound, in relation to other cuprate superconductors, and the implied mobility of oxygen defects within the crystal structure.

Preparation of directionally solidified BaTi2O5-Ba6Ti17O40 eutectic by the floating zone method

NASA Astrophysics Data System (ADS)

Shiga, K.; Katsui, H.; Goto, T.

2017-02-01

The BaTi2O5-Ba6Ti17O40 eutectic (BaO-68.7 mol% TiO2) was directionally solidified by the floating zone (FZ) method and crystalline phases, microstructures and orientation were investigated. Ba6Ti17O40 with faceted rod-like shape was dispersed in the BaTi2O5 matrix. The growth directions of BaTi2O5 and Ba6Ti17O40 were parallel to the b and a axis, respectively, and the orientation relations were BaTi2O5 (010)//Ba6Ti17O40(60 2 ̅) and BaTi2O5 (001)//Ba6Ti17O40 (001).

Y1Ba2Cu3O(6+delta) growth on thin Y-enhanced SiO2 buffer layers on silicon

NASA Technical Reports Server (NTRS)

Robin, T.; Mesarwi, A.; Wu, N. J.; Fan, W. C.; Espoir, L.; Ignatiev, A.; Sega, R.

1991-01-01

SiO2 buffer layers as thin as 2 nm have been developed for use in the growth of Y1Ba2Cu3O(6+delta) thin films on silicon substrates. The SiO2 layers are formed through Y enhancement of silicon oxidation, and are highly stoichiometric. Y1Ba2Cu3O(6+delta) film growth on silicon with thin buffer layers has shown c orientation and Tc0 = 78 K.

Crystal structure of BaMn2(AsO4)2 containing discrete [Mn4O18]28- units.

PubMed

Alcantar, Salvador; Ledbetter, Hollis R; Ranmohotti, Kulugammana G S

2017-12-01

In our attempt to search for mixed alkaline-earth and transition metal arsenates, the title compound, barium dimanganese(II) bis-(arsenate), has been synthesized by employing a high-temperature RbCl flux. The crystal structure of BaMn 2 (AsO 4 ) 2 is made up of MnO 6 octa-hedra and AsO 4 tetra-hedra assembled by sharing corners and edges into infinite slabs with composition [Mn 2 (AsO 4 ) 2 ] 2- that extend parallel to the ab plane. The barium cations reside between parallel slabs maintaining the inter-slab connectivity through coordination to eight oxygen anions. The layered anionic framework comprises weakly inter-acting [Mn 4 O 18 ] 28- tetra-meric units. In each tetra-mer, the manganese(II) cations are in a planar arrangement related by a center of inversion. Within the slabs, the tetra-meric units are separated from each other by 6.614 (2) Å (Mn⋯Mn distances). The title compound has isostructural analogues amongst synthetic Sr M 2 ( X O 4 ) 2 compounds with M = Ni, Co, and X = As, P.

High-K (Ba0.8Bi0.2)(Zn0.1Ti0.9)O3 ceramics for high-temperature capacitor applications.

PubMed

Raengthon, Natthaphon; Cann, David P

2011-09-01

Solid solutions of BaTiO(3)-Bi(Zn(1/2)Ti(1/2))O(3) were investigated for high-temperature capacitor applications. Compositions close to 0.8BaTiO(3)-0.2Bi(Zn(1/2)Ti(1/2))O(3) revealed pseudo-cubic symmetry and showed a linear dielectric response. The existence of a nearly flat temperature dependence of the relative permittivity over the temperature range of 100 to 350°C was also obtained. In this study, the effects of cation non-stoichiometry and doping were investigated in an attempt to optimize the insulation resistance for high-temperature applications. The dielectric response of (Ba(0.8)-xBi(0.2))(Zn(0.1)Ti(0.9)) O(3) ceramics where 0 ≤ X ≤ 0.08, as well as ZrO2- and Mn(2)O(3)-doped ceramics were studied. The optimum compositions exhibited a relative permittivity in excess of 1150 with a low loss tangent (tan δ < 0.05) that persisted up to a temperature of 460δC. The temperature dependence of resistivity also revealed the improved insulation resistance of Ba-deficient compositions. Additionally, we suggest that an ionic conduction mechanism is responsible for the degradation of resistivity at high temperatures. The temperature coefficient of permittivity ((τ)K) and the RC time constant were also investigated.

Preparation of epitaxial TlBa2Ca2Cu3O9 high Tc thin films on LaAlO3 (100) substrates

NASA Astrophysics Data System (ADS)

Piehler, A.; Reschauer, N.; Spreitzer, U.; Ströbel, J. P.; Schönberger, R.; Renk, K. F.; Saemann-Ischenko, G.

1994-09-01

Epitaxial TlBa2Ca2Cu3O9 high Tc thin films were prepared on LaAlO3 (100) substrates by a combination of laser ablation and thermal evaporation of thallium oxide. X-ray diffraction patterns of θ-2θ scans showed that the films consisted of highly c axis oriented TlBa2Ca2Cu3O9. φ scan measurements revealed an epitaxial growth of the TlBa2Ca2Cu3O9 thin films on the LaAlO3 (100) substrates. Ac inductive measurements indicated the onset of superconductivity at 110 K. At 6 K, the critical current density was 4×106 A/cm2 in zero magnetic field and 6×105 A/cm2 at a magnetic field of 3 T parallel to the c axis.

Microwave dielectric properties of BaO-2CeO{sub 2}-nTiO{sub 2} ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreemoolanadhan, H.; Sebastian, M.T.; Ratheesh, R.

2004-11-01

The BaO-2CeO{sub 2}-nTiO{sub 2} ceramics with n=3, 4 and 5 have been prepared with CeO{sub 2} as starting material. The ceramics have been characterized using scanning electron microscopy, X-ray diffraction, Raman and X-ray photoelectron spectroscopy techniques. The microwave dielectric properties have been measured using standard dielectric resonator techniques. BaO-2CeO{sub 2}-3TiO{sub 2} (123), BaO-2CeO{sub 2}-4TiO{sub 2} (124) and BaO-2CeO{sub 2}-5TiO{sub 2} (125) ceramics showed dielectric constants of 38, 27 and 32, respectively. All the ceramics showed fairly good unloaded Q-factors. 124 and 125 compounds exhibited low {tau}f values, while 123 showed a high {tau}f value.

Optical properties of BaO added bioactive Na2O-CaO-P2O5 glasses

NASA Astrophysics Data System (ADS)

Edathazhe, Akhila B.; Shashikala, H. D.

2018-04-01

This paper deals with the effect of BaO addition on the optical properties of bioactive Na2O-CaO-P2O5 glasses for biomedical optics applications. The phosphate glasses with composition (26-x)Na2O-xBaO-29CaO-45P2O5 (x = 0, 5, 10, 15 mol%) have been prepared by melt-quenching technique at 1100°C. The refractive index of glasses increased with BaO content. The optical band gap and Urbach energy of synthesized glasses were derived from the optical absorption spectra by using UV-Visible spectrometer. The addition of 5 mol% of BaO increased the band gap energy of glasses due to the formation of ionic cross-links in the glass structure. The defect and interstitial bonds formation in theglasses decreased with BaO additions as indicated by reductions in the Urbach energy values. No such variations in the band gap and Urbach energy values of glasses were observed with BaO content from 5 to 15 mol%. The molar and oxide ion polarizability values were calculated from the band gap and molar volume of glasses. The increase in the calculated optical basicity and metallization criteria of glasses supported the rise in band gap energy values with BaO additions. As the melting temperature of glasses decreased from 1200 to 1100°C, the refractive index increased as supported by the measured density values. The band gap energy is not changed with melting temperature. The Urbach energy decreased with decrease in melting temperature in case of BaO-free Na2O-CaO-P2O5 glasses, whereas it increased in case of BaO added glasses due to the role of BaO as modifying oxide.

Continuous Structural Transition in Glass-Forming Molten Titanate BaTi 2 O 5

DOE PAGES

Alderman, O. L. G.; Benmore, C. J.; Tamalonis, A.; ...

2016-12-01

The structure of the model titanate glass former BaTi2O5 has been studied over a wide temperature (T) range in the molten, supercooled, and glassy states under conditions of aerodynamic levitation. Both high-energy X-ray diffraction and Ti K-edge X-ray absorption spectroscopy reveal a continuous structural transition involving reduction of the cation-oxygen (and oxygen-cation) average coordination numbers and bond lengths with increasing T. Ti-0 coordination in the moderately supercooled and equilibrium melt follows a linear trend n(Tio) = 5.4(1)- [3.5(7) x 10(-4)]T [K] (1300 <= T <= 1830 K, T-g = 960 K, T-m = 1660 K). Comparison to the melt-quenched glassmore » implies an increase in partial derivative n(Tio)/partial derivative T at lower T, as T-g is approached from above. Both Ba-0 coordination and bond length also decrease at higher T, and the role of Ba addition is to reduce n(Tio) below its value in pure molten TiO2, which is related to the presence of density maxima in molten BaO-TiO2. Density measurements made by imaging of the levitated melt yielded rho(T) = 4.82(55)- 0.0004(3)T in units of K and g cm(-3). While BaTi2O5 glass likely consists of a fully connected Ti-0 network, free of nonbridging oxygen (NBO) [OTi1 and with at least 13(4)% [OTi3] triclusters, the 1835(40) K equilibrium melt contains at least 10(4)% NBO along with 90(4)% bridging oxygen [OTi2]. The results highlight the fact that glasses can be considered as structural analogues of melts only for those melts deeply supercooled into the glass transition region. The results imply possible fictive T dependence of titanate glass structure, suggesting applications as, e.g., laser written waveguides with large refractive indices and refractive index contrasts. The temperature-dependent structure further implies a super-Arrhenian melt viscosity with consequences for glass manufacture, titanate-rich slags produced in iron smelting, TiO2-bearing magmas, and by analogy silicate melts at high

Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4).

PubMed

Elias Jesu Packiam, D; Vidyasagar, Kanamaluru

2017-11-28

Twenty new molybdenum phosphonates and diphosphonates have been synthesized and structurally characterized by single crystal and powder X-ray diffraction, CHN analyses, spectroscopic and thermal studies. Four of them are molecular phenyl- and benzyl-phosphonates containing discrete [(MoO 3 ) 5 (O 3 PR) 2 ] 4- (R = Ph or CH 2 Ph) cyclic anions. The sixteen non-molecular compounds are layered isostructural phenylphosphonates, A 2 [Mo 2 O 5 (O 3 PPh) 2 ] (A = NH 4 , Tl, Rb, Cs) and K 1.5 (H 3 O) 0.5 [Mo 2 O 5 (O 3 PPh) 2 ] and the corresponding diphosphonate compounds with pillared anionic layers, A 2 [Mo 2 O 5 (O 3 P(CH 2 ) 3 PO 3 )], A 2 [Mo 2 O 5 (O 3 P(CH 2 ) 4 PO 3 )] and A 2 [Mo 2 O 5 (O 3 P(C 6 H 4 )PO 3 )]. The A + ions reside in the interlayer region as well as in the cavities within the anionic layers.

Critical current density in (YBa2Cu3O7-δ)1-x-(PrBa2Cu3O7-δ)x melt-textured composites

NASA Astrophysics Data System (ADS)

Opata, Yuri Aparecido; Monteiro, João Frederico Haas Leandro; Jurelo, Alcione Roberto; Siqueira, Ezequiel Costa

2018-06-01

Melt textured (YBa2Cu3O7-δ)1-x-(PrBa2Cu3O7-δ)x composites (x = 0.00 and x = 0.05) were grown using the top seeding method. The effect of the PrBa2Cu3O7-δ phase on the growth process and the modification of the microstructure as well as on the physical properties was analyzed. X-ray analyses indicated that both pure and Pr-doped samples present an orthorhombic superconducting phase. From resistivity measurements for YBa2Cu3O7-δ and (YBa2Cu3O7-δ)0.95-(PrBa2Cu3O7-δ)0.05 samples, the Tcab did not change and was around 90.5 K. However, from magnetic measurements, the superconductivity was observed in critical temperatures TC = 92.9 K and 92.4 K for YBa2Cu3O7-δ and (YBa2Cu3O7-δ)0.95-(PrBa2Cu3O7-δ)0.05 samples, respectively. The YBa2Cu3O7-δ sample showed higher critical current densities than those shown by the (YBa2Cu3O7-δ)0.95-(PrBa2Cu3O7-δ)0.05 sample, with values of JC = 5.85 × 105 A/cm2 and 4.72 × 105 A/cm2, respectively. This paper also discusses the importance of Pr substitution on nano- and micro-meter scales to enhance JC(H).

Synthesis of Ba 0.6K 0.4BiO 3 and BaPb 0.75Bi 0.25O 3 superconductors by sol-gel process

NASA Astrophysics Data System (ADS)

Rao, G. V. Rama; Varadaraju, U. V.; Mannan, S. L.

1994-12-01

We have synthesised Ba 0.6K 0.4BiO 3 (BKB) and BaPb 1-xBi xO 3-y compounds by sol-gel process. IR spectra of gels indicated the bridging type of bonding between metal carboxylates leading to the formation of homogeneous gels. BKB and BaPb 0.75Bi 0.25O 3 compounds exhibited sharp superconducting transitions from R-T and χ-T measurements indicating excellent homogeneity of the samples

Temperature Dependence of the Tunneling Conductance in Ba_1-xK_xBiO_3

NASA Astrophysics Data System (ADS)

Miyakawa, N.; Ozyuzer, L.; Zasadzinski, J. F.

1997-03-01

Tunneling measurements have been made on high-density polycrystalline pellets of Ba_1-xK_xBiO3 using a point contact method. The temperature dependence (up to 30 K) and magnetic field dependence (up to 6T) of the tunneling conductance has been measured. It is found that at temperatures less than 4.2 K the gap region conductance can be fit with a BCS density of states (dos) and thermal smearing only. However, as the temperature is increased a quasiparticle recombination rate, Γ, which increases as T^n (n ~ 3) must be included in the dos to fit the data. The behavior of Γ (T) does not follow the strong-coupling theory of Kaplan et al. (S.B. Kaplan et al. Phys. Rev. B 14), 4854 (1976) We investigate whether this anomalous power law dependence can come out of Eliashberg theory using the electron-phonon spectral function, a^2F(ω) for Ba_1-xK_xBiO_3.

Crystal structure of Rb{sub 2}Mn{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2}, a new representative of the family of hydrated diphosphates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiriukhina, G. V., E-mail: g-biralo@yandex.ru; Yakubovich, O. V.; Dimitrova, O. V.

2016-09-15

The crystal structure of Rb{sub 2}Mn{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2}, a new phase obtained in the form of single crystals under hydrothermal conditions in the MnCl{sub 2}–Rb{sub 3}PO{sub 4}–H{sub 2}O system, is determined by X-ray diffraction (Xcalibur-S-CCD diffractometer, R = 0.0270): a = 9.374(2), b = 8.367(2), c = 9.437(2) Å, ß = 99.12(2)°, space group P2{sub 1}/c, Z = 2, D{sub x} = 3.27 g/cm{sup 3}. A correlation between the unit-cell parameters and the size of cations forming the crystal structures of isostructural A{sub 2}M{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2} diphosphates (A = K, NH{sub 4},more » Rb, or Na; {sub M} = Mn, Fe, Co, or Ni) is revealed. It is shown that, due to the topological similarity, the structures of diphosphates and orthophosphates of the farringtonite structural type can undergo mutual transformations.« less

Nanocomposite dielectrics in PbO-BaO-Na2O-Nb2O5-SiO2 system with high breakdown strength for high voltage capacitor applications.

PubMed

Zhang, Qingmeng; Luo, Jun; Tang, Qun; Han, Dongfang; Zhou, Yi; Du, Jun

2012-11-01

Nanocomposite dielectrics in 6PbO-4BaO-20Na2O-40Nb2O5-30SiO2 system were prepared via melt-quenching followed by controlled crystallization. X-ray diffraction studies reveal that Pb2Nb2O7, Ba,NaNb5O15, NaNbO3 and PbNb2O6 phases are formed from the as-quenched glass annealed in temperature range from 700 degrees C to 850 degrees C. Ba2NaNb5O15, Pb2Nb2O7 crystallizes at 700 degrees C and then Pb2Nb2O7 disappears at 850 degrees C, while PbNb2O6 and NaNbO3 are formed at 850 degrees C. Microstructural observation shows that the crystallized particles are nanometer-sized and randomly distributed with glass matrix being often found at grain boundaries. The dielectric constant of the nanocomposites formed at different crystallization temperatures shows good frequency and electric field stability. The breakdown strength is slightly decreased when the glass-ceramics thickness is varied from 1 mm to 4 mm. The corresponding energy density could reach 2.96 J/cm3 with a breakdown strength of 58 kV/mm for thickness of 1 mm.

Effects of Sulfation Level on the Desulfation Behavior of Presulfated Pt-BaO/Al2O3 Lean

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, D.; Szanyi, J; Kwak, J

2009-01-01

Desulfation by hydrogen of presulfated Pt (2 wt %)-BaO(20 wt %)/Al2O3 with various sulfur loading (S/Ba = 0.12, 0.31, and 0.62) were investigated by combining H2 temperature programmed reaction (TPRX), X-ray photoelectron spectroscopy (XPS), in situ sulfur K-edge X-ray absorption near-edge spectroscopy (XANES), and synchrotron time-resolved X-ray diffraction (TR-XRD) techniques. We find that the amount of H2S desorbed during the desulfation in the H2 TPRX experiments is not proportional to the amount of initial sulfur loading. The results of both in situ sulfur K-edge XANES and TR-XRD show that at low sulfur loadings, sulfates were transformed to a BaS phasemore » and remained in the catalyst rather than being removed as H2S. On the other hand, when the deposited sulfur level exceeded a certain threshold (at least S/Ba = 0.31) sulfates were reduced to form H2S, and the relative amount of the residual sulfide species in the catalyst was much less than at low sulfur loading. Unlike samples with high sulfur loading (e.g., S/Ba = 0.62), H2O did not promote the desulfation for the sample with S/Ba of 0.12, implying that the formed BaS species originating from the reduction of sulfates at low sulfur loading are more stable to hydrolysis. The results of this combined spectroscopy investigation provide clear evidence to show that sulfates at low sulfur loadings are less likely to be removed as H2S and have a greater tendency to be transformed to BaS on the material, leading to the conclusion that desulfation behavior of Pt-BaO/Al2O3 lean NOx trap catalysts is markedly dependent on the sulfation levels.« less

Preparation of LTCC materials with adjustable permittivity based on BaO–B{sub 2}O{sub 3}–SiO{sub 2}/BaTiO{sub 3} system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Kai-tuo; He, Yan; Liang, Zhong-yuan

2015-05-15

Graphical abstract: The dielectric constant (ϵ) of the sintered BaO–B{sub 2}O{sub 3}–SiO{sub 2}/BaTiO{sub 3} glass/ceramics (the sintered samples with line shrinkage of 10%) changed from 5 to 30 and the dielectric losses (tanδ) was lower than 0.05 at 100 MHz with the amount of BaTiO{sub 3} additive increment from 60 wt% to 90 wt% fraction. - Highlights: • The ϵ of BaO–B{sub 2}O{sub 3}–SiO{sub 2} glass can be adjusted from 5 to 30 by adding BaTiO{sub 3}. • The influence factors on dielectric are the secondary phase and microstructure. • BaO–B{sub 2}O{sub 3}–SiO{sub 2}/BaTiO{sub 3} system can fabricate LTCC whenmore » BaTiO{sub 3} located in 60–80 wt%. - Abstract: This paper studied the preparation and characterization of LTCC (low temperature co-fired ceramics) materials based on BaO–B{sub 2}O{sub 3}–SiO{sub 2}/BaTiO{sub 3} glass–ceramics, where the sintering temperature was about 900 °C and dielectric constant was effectively adjustable from 5 to 30 by changing the BaTiO{sub 3} fraction from 60 wt% to 90 wt%. X-ray diffractometer (XRD), scanning electron microscopy (SEM) were used to examine the effect of different amounts additive on the dielectric properties of this LTCC system and the crystal structure change. The results indicated that BaTiO{sub 3} can be used as a dielectric additive aim to adjust the permittivity of BaO–B{sub 2}O{sub 3}–SiO{sub 2} glass, which the main influence factors on dielectric are the contents of the secondary phase, the BaTiO{sub 3} phase fraction and the porous structure of the sintered body. Therefore, the microstructure and dielectric property of BaO–B{sub 2}O{sub 3}–SiO{sub 2}/BaTiO{sub 3} glass–ceramics composites could be controlled by adjusting the content of BaTiO{sub 3} additive.« less

A novel tunable white light emitting multiphase phosphor obtained from Ba2TiP2O9 by introducing Eu3+

NASA Astrophysics Data System (ADS)

Zhou, Zhenzhen; Liu, Guanghui; Wan, Jieqiong; Ni, Jia; Lu, Zhouguang; Ma, Ruguang; Zhou, Yao; Wang, Jiacheng; Liu, Qian

2016-04-01

Tunable white light was realized in samples Ba2(1- x)TiP2O9:2 xEu ( x = 0-0.80) by introducing orange-red light emitting Eu3+ in self-activated blue-green light emitting matrix Ba2TiP2O9. The sample Ba2(1- x)TiP2O9:2 xEu is a multiphase system consisting of Ba2TiP2O9, EuPO4 and TiO2 when x is greater than or equal to 0.20. The tunable light from blue-green to bluish-white, to white, and eventually to pinky-white of samples Ba2(1- x)TiP2O9:2 xEu under UV light excitation is attributed to the light mixture of tunable blue-green light from Ti4+-O2- charge transfer transition in Ba2TiP2O9 and orange-red light from Eu3+ 4f-4f transition mostly in EuPO4. The Commission International de l'Eclairage chromaticity coordinates, correlated color temperature and color rendering index were tuned from (0.262, 0.339), 9492 K and 74 for matrix sample Ba2TiP2O9 to (0.324, 0.346), 5876 K and 87 for sample Ba2(1- x)TiP2O9:2 xEu ( x = 0.40) under UV light excitation. Therefore, a kind of promising UV-excited white light emitting multiphase phosphor was obtained.

The conserved potassium channel filter can have distinct ion binding profiles: structural analysis of rubidium, cesium, and barium binding in NaK2K.

PubMed

Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant; Jiang, Youxing

2014-08-01

Potassium channels are highly selective for K(+) over the smaller Na(+). Intriguingly, they are permeable to larger monovalent cations such as Rb(+) and Cs(+) but are specifically blocked by the similarly sized Ba(2+). In this study, we used structural analysis to determine the binding profiles for these permeant and blocking ions in the selectivity filter of the potassium-selective NaK channel mutant NaK2K and also performed permeation experiments using single-channel recordings. Our data revealed that some ion binding properties of NaK2K are distinct from those of the canonical K(+) channels KcsA and MthK. Rb(+) bound at sites 1, 3, and 4 in NaK2K, as it does in KcsA. Cs(+), however, bound predominantly at sites 1 and 3 in NaK2K, whereas it binds at sites 1, 3, and 4 in KcsA. Moreover, Ba(2+) binding in NaK2K was distinct from that which has been observed in KcsA and MthK, even though all of these channels show similar Ba(2+) block. In the presence of K(+), Ba(2+) bound to the NaK2K channel at site 3 in conjunction with a K(+) at site 1; this led to a prolonged block of the channel (the external K(+)-dependent Ba(2+) lock-in state). In the absence of K(+), however, Ba(2+) acts as a permeating blocker. We found that, under these conditions, Ba(2+) bound at sites 1 or 0 as well as site 3, allowing it to enter the filter from the intracellular side and exit from the extracellular side. The difference in the Ba(2+) binding profile in the presence and absence of K(+) thus provides a structural explanation for the short and prolonged Ba(2+) block observed in NaK2K. © 2014 Lam et al.

Glassy and Metastable Crystalline BaTi2O5 by Containerless Processing

NASA Astrophysics Data System (ADS)

Yoda, Shinichi; Kentei Yu, Yu; Kumar, Vijaya; Kameko, Masashi

metastable a-and b-BaTi2 O5 are constructed with non-centrosymmetric geometry TiO5 polyhedra, which provides higher potential for yielding high dielectric constants, pyroelectric and nonlinear op-tical properties than that of normal 4-or 6-coordinate Ti-O polyhedra. In addition, all lanthanide elements can be doped into the unusual glassy BaTi2 O5 structure to open up new possibilities for creating new bulk glasses, metastable phases and nano-crystalline ceramics with peculiar electronic and optical properties, such as giant permittivity and strong upconversion luminescence. References [1] Y. Akishige, K. Fukano, and H. Shigematsu, Jpn. J. Appl. Phys. p2, 42, L946 (2003). [2] J. Yu, Y. Arai, T. Masaki, T. Ishikawa, S. Yoda, S. Kohara, H. Taniguchi, M. Itoh, and Y. Kuroiwa, Chem. Matter. 18 p.2169 (2006) [3] J. Yu, S. Kohara, S. Nozawa, K. Itoh, S. Miyoshi, Y. Arai, A. Masuno, H. Taniguchi, M. Itoh, M. Takata, T. Fukunaga, S. Koshihara, Y. Kuroiwa, and S. Yoda, Chem. Matter. 21, p259 (2009).

Oxygen content and Tc of Ba 0.6K 0.4BiO 3-δ

NASA Astrophysics Data System (ADS)

Idemoto, Yasushi; Iwata, Yoshiki; Fueki, Kazuo

1992-10-01

The single phase of Ba 1- xK xBiO 3-δ with x=0.316∼0.514 was prepared by adding an excess amount of KO 2 to the starting materials and by washing the products with ethanol. In the case of Ba 0.6K 0.4BiO 3-δ, superconductivity appeared when the bismuth valence was higher than +4.2 and the highest Tc was attained at around a bismuth valence of +4.3. Tc decreased with the increase in bismuth valence above +4.3. A high temperature X-ray diffraction study revealed that the lattice constant increases by the thermal expansion below 400°C but the increase becomes remarkable above 400°C owing to evaporation of potassium and deoxygenation.

Critical current density of TlBa 2Ca 2Cu 3O 9 thin films on MgO (100) in magnetic fields

NASA Astrophysics Data System (ADS)

Piehler, A.; Ströbel, J. P.; Reschauer, N.; Löw, R.; Schönberger, R.; Renk, K. F.; Kraus, M.; Daniel, J.; Saemann-Ischenko, G.

1994-04-01

We report on the critical current density of TlBa 2Ca 2Cu 3O 9 thin films on (100) MgO substrates in magnetic fields. Single- phase and highly c-axis oriented thin films were prepared by laser ablation in combination with thermal evaporation of Tl 2O 3. Scanning electron microscope investigations indicated a flat plate-like microstructure and DC magnetization measurements showed the onset of superconductivity at ∼ 115 K. The critical current density jc was determined from magnetization cycles. Typical values of jc were 9 × 10 5 A/cm 2 at 6 K and 2.5 × 10 5 A/cm 2 at 77 K. In a magnetic field to 1 T applied parallel to the c-axis the critical current densities were 3 × 10 5 A/cm 2 at 6 K and 3 × 10 3 A/cm 2 at 77 K. The decrease of jc at higher magnetic fields is discussed and attributed to the microstructure of the TlBa 2Ca 2Cu 3O 9 thin films.

Spin waves and magnetic exchange interactions in insulating Rb(0.89)Fe(1.58)Se(2).

PubMed

Wang, Miaoyin; Fang, Chen; Yao, Dao-Xin; Tan, GuoTai; Harriger, Leland W; Song, Yu; Netherton, Tucker; Zhang, Chenglin; Wang, Meng; Stone, Matthew B; Tian, Wei; Hu, Jiangping; Dai, Pengcheng

2011-12-06

The parent compounds of iron pnictide superconductors are bad metals with a collinear antiferromagnetic structure and Néel temperatures below 220 K. Although alkaline iron selenide A(y)Fe(1.6+x)Se(2) (A=K, Rb, Cs) superconductors are isostructural with iron pnictides, in the vicinity of the undoped limit they are insulators, forming a block antiferromagnetic order and having Néel temperatures of roughly 500 K. Here we show that the spin waves of the insulating antiferromagnet Rb(0.89)Fe(1.58)Se(2) can be accurately described by a local moment Heisenberg Hamiltonian. A fitting analysis of the spin wave spectra reveals that the next-nearest neighbour couplings in Rb(0.89)Fe(1.58)Se(2), (Ba,Ca,Sr)Fe(2)As(2), and Fe(1.05)Te are of similar magnitude. Our results suggest a common origin for the magnetism of all the Fe-based superconductors, despite having different ground states and antiferromagnetic orderings.

Tuning the giant magnetoelastic transition in Ba3BiIr2O9 and Ba3BiRu2O9

NASA Astrophysics Data System (ADS)

Huang, Zixin; Avdeev, Maxim; Kennedy, Brendan J.; Knight, Kevin S.; Zhou, Qingdi; Ling, Chris D.

2014-07-01

We have experimentally investigated the effects of pressure on the magnetoelastic transitions associated with the opening of spin-gaps in Ba3BiIr2O9 and Ba3BiRu2O9. For both compounds, reducing the unit cell volume by either external physical and internal chemical pressure was found to reduce the temperature T* of the transition and, to a lesser extent, the magnitude of the associated negative thermal volume expansion. The results yield the latent heat associated with the transitions, -3.34(3) × 102 J mol-1 for Ba3BiIr2O9 and -7.1(5) × 102 J mol-1 for Ba3BiRu2O9. The transition in Ba3BiRu2O9 is significantly more robust than in Ba3BiIr2O9, requiring an order of magnitude higher pressures to achieve the same reduction in T*. The differing responses of the two compounds points to differences between the 4d and 5d metals and hence to the importance of spin-orbit coupling, which is expected to be much stronger in the Ir compound.

Tuning the giant magnetoelastic transition in Ba3BiIr2O9 and Ba3BiRu2O9.

PubMed

Huang, Zixin; Avdeev, Maxim; Kennedy, Brendan J; Knight, Kevin S; Zhou, Qingdi; Ling, Chris D

2014-07-09

We have experimentally investigated the effects of pressure on the magnetoelastic transitions associated with the opening of spin-gaps in Ba3BiIr2O9 and Ba3BiRu2O9. For both compounds, reducing the unit cell volume by either external physical and internal chemical pressure was found to reduce the temperature T(*) of the transition and, to a lesser extent, the magnitude of the associated negative thermal volume expansion. The results yield the latent heat associated with the transitions, -3.34(3) × 10(2) J mol(-1) for Ba3BiIr2O9 and -7.1(5) × 10(2) J mol(-1) for Ba3BiRu2O9. The transition in Ba3BiRu2O9 is significantly more robust than in Ba3BiIr2O9, requiring an order of magnitude higher pressures to achieve the same reduction in T(*). The differing responses of the two compounds points to differences between the 4d and 5d metals and hence to the importance of spin-orbit coupling, which is expected to be much stronger in the Ir compound.

Scintillation properties of Eu 2+-doped KBa 2I 5 and K 2BaI 4

DOE PAGES

Stand, L.; Zhuravleva, M.; Chakoumakos, Bryan C.; ...

2015-09-25

We report two new ternary metal halide scintillators, KBa 2I 5 and K 2BaI 4, activated with divalent europium. Single crystal X-ray diffraction measurements confirmed that KBa 2I 5 has a monoclinic structure (P2 1/c) and that K 2BaI 4 has a rhombohedral structure (R3c). Differential scanning calorimetry showed singular melting and crystallization points, making these compounds viable candidates for melt growth. We grew 13 mm diameter single crystals of KBa 2I 5:Eu 2+ and K 2BaI 4:Eu2+ in evacuated quartz ampoules via the vertical Bridgman technique. The optimal Eu 2+ concentration was 4% for KBa 2I 5 and 7%more » for K 2BaI 4. The X-ray excited emissions at 444 nm for KBa 2I 5:Eu 4% and 448 nm for K 2BaI 4:Eu 7% arise from the 5d-4f radiative transition in Eu 2+. KBa 2I 5:Eu 4% has a light yield of 90,000 photons/MeV, with an energy resolution of 2.4% and K 2BaI 4:Eu 7% has a light yield of 63,000 ph/MeV, with an energy resolution of 2.9% at 662 keV. Both crystals have an excellent proportional response to a wide range of gamma-ray energies.« less

Design, synthesis and luminescence properties of Ba2 YB2 O6 Cl- and Ba2 YB2 O6 F-based phosphors.

PubMed

Chen, Wanping; Yang, Xin; Liu, Yan; Dai, Xiaoyan

2015-05-01

Using a high-temperature solid-state reaction, the chlorine in Ba2 YB2 O6 Cl is gradually replaced by F, and a new compound with the nominal chemical formula Ba2 YB2 O6 F and two phosphors doped with Ce(3+) and Eu(3+) , respectively, are obtained. X-Ray diffraction and photoluminescence spectroscopy are used to characterize the as-synthesized samples. The as-synthesized Ba2 YB2 O6 Cl exhibits bright blue emission in the spectral range ~ 330-410 nm with a maximum around 363 nm under X-ray or UV excitation. Ba2 YB2 O6 F:0.01Ce(3+) exhibits blue emission in the range ~ 340-570 nm with a maximum around 383 nm. Ba2 YB2 O6 F:0.01Eu(3+) exhibits a predominantly (5) D0 -(7)  F2 emission (~610 nm) and the relative intensities of the (5) D0 -(7)  F0,1,2 emissions are tunable under different wavelength UV excitation. The luminescence behaviors of the two phosphors are explained simply in terms of the host composition and site occupancy probability of Ce(3+) and Eu(3+) , respectively. The results indicate that these phosphors have potential application as a blue phosphor or as a red phosphor. Copyright © 2014 John Wiley & Sons, Ltd.

Synthesis and structure of A4V6[Te2(4+)Te6+]O24 (A = K, Rb)-two new quaternary mixed-valent tellurium oxides.

PubMed

Zhu, Tianxiang; Qin, Jingui; Halasyamani, P Shiv

2011-09-14

Two new mixed-valent tellurium oxides with vanadium(V), A(4)V(6)[Te(2)(4+)Te(6+)]O(24) (A = K and Rb), have been synthesized by hydrothermal and conventional solid state techniques. Their structures were determined by single-crystal X-ray diffraction analysis. These two iso-structural compounds exhibit layered structural topologies consisting of [V(6)Te(3)O(24)](4-) anionic units. In these anionic structural units, a Te(6+)O(6) octahedron is connected to six VO(4) tetrahedra by corner-sharing to generate a [V(6)TeO(24)] unit, and each of these [V(6)TeO(24)] units are interconnected by sharing two Te(4+)O(3) polyhedra to complete the infinite [V(6)Te(3)O(24)](4-) sheets. Infrared spectroscopy, UV-Visible diffuse reflectance spectroscopy, and thermogravimetric analysis were also performed on these two compounds. Crystal data: K(4)V(6)Te(3)O(24), trigonal, space group R ̅3c (No. 167) with a = b = 9.7075(6) Å, c = 42.701(3) Å, V = 3484.9(4) Å(3), and Z = 6; Rb(4)V(6)Te(3)O(24), trigonal, space group R ̅3c (No. 167) with a = b = 9.8399(9) Å, c = 43.012(4) Å, V = 3606.6(6) Å(3), and Z = 6. This journal is © The Royal Society of Chemistry 2011

Raman study of the thermal stability of HgBa 2CaCu 2O 6+δ and HgBa 2Ca 2Cu 3O 8+δ

NASA Astrophysics Data System (ADS)

Chang, H.; He, Z. H.; Meng, R. L.; Xue, Y. Y.; Chu, C. W.

1995-02-01

We studied the thermal stability of HgBa 2CaCu 2O 6+δ and HgBa 2Ca 2Cu 3O 8+δ at varying laser irradiation power. Each compound has two Raman bands around 570 and 590 cm -1 which are assigned to the vibrations of the interstitial oxygen in HgO δ layers and the apical oxygen in BaO layers, respectively. The 590 cm -1 band shifts position slightly with irradiation, and both the intensity and position of the 570 cm -1 band vary significantly with the laser power. The occupation factor of the interstitial oxygen is sensitive to the annealing temperature. At higher temperatures (550-600°C), both compounds decompose into various (Ba,Cu)-oxides such as Ba 1- xCa xCuO 2.

Frequency-dependent impedance spectroscopy on the 0.925(Bi0.5Na0.40K0.10)TiO3-0.075(Ba0.70Sr0.30)TiO3 ceramic

NASA Astrophysics Data System (ADS)

Ullah, Amir; Rahman, Muneeb-ur; Iqbal, Muhammad Javid; Ahn, Chang Won; Kim, Ill Won; Ullah, Aman

2016-06-01

The electrical properties of the 0.925(Bi0.5(Na0.40K0.10)TiO3-0.075(Ba0.70Sr0.30)TiO3 (0.925BNKT-0.075BST) ceramic were investigated by using AC impedance spectroscopy over a wide range of frequencies (10 -2 ~ 105 Hz). The X-ray diffraction patterns confirmed the formation of a single-phase compound. A single semicircular arc in the impedance spectrum indicates that the main contribution of the bulk resistance ( R b ) were due to grain effects, with Rb decreasing with increasing temperature. The conductivity of the ceramics increased with increasing temperature, and the activation energy resulting from the DC conductivity was 0.86 eV. The ceramic displayed a typical negative temperature coefficient of resistance (NTCR) behavior, like that of a semiconductor.

Ion-neutral chemistry at ultralow energies:Dynamics of reactive collisions between laser-cooled Ca+ or Ba+ ions and Rb atoms in an ion-atom hybrid trap

NASA Astrophysics Data System (ADS)

Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.

2013-05-01

Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.

On the symmetry and crystal structures of Ba{sub 2}LaIrO{sub 6}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, W.T., E-mail: w.fu@chem.leidenuniv.n; Goetz, R.J.; IJdo, D.J.W.

2010-02-15

Accurate profile analysis of X-ray diffraction data was carried out to settle recent dispute on the symmetry and crystal structures of the double perovskite Ba{sub 2}LaIrO{sub 6}. Even through careful comparison of the full-width at half-maximum values, we found no evidence for Ba{sub 2}LaIrO{sub 6} adopting either monoclinic (I2/m) or mixed rhombohedral (R3-bar) and monoclinic (I2/m) structures at room temperature, becoming triclinic (I1-bar) at below about 200 K. The correct space group is just R3-bar at temperatures between 82 and 653 K. Furthermore, the R3-bar->Fm3-barm phase transition does occur in Ba{sub 2}LaIrO{sub 6}, but the transition temperature is found tomore » be much higher than the reported value. - Graphical abstract: Observed (crosses) and calculated (continuous line) profiles of Ba{sub 2}LaIrO{sub 6} at some selected temperature showing the region containing the basic (222), (321) and (400) reflections. Tick marks below indicate the positions of the allowed Bragg's reflections.« less

Crystallisation of Ba1-xSrxZn2Si2O7 from BaO/SrO/ZnO/SiO2 glass with different ZrO2 and TiO2 concentrations

NASA Astrophysics Data System (ADS)

Vladislavova, Liliya; Kracker, Michael; Zscheckel, Tilman; Thieme, Christian; Rüssel, Christian

2018-04-01

The effect of different nucleation agents such as ZrO2 and TiO2 was investigated for a first time with respect to their crystallisation behaviour in the glass system BaO-SrO-ZnO-SiO2. In all studied glasses, a Ba1-xSrxZn2Si2O7 (0.1 ≤ x ≤ 0.9) solid solution crystallized. This phase was first described in 2015 to possess a similar structure as the high temperature phase of BaZn2Si2O7 and a thermal expansion close to zero or even negative. It may find applications e.g. as cook panels, telescope mirrors, and furnace windows. Kinetic parameters of the crystallisation process were determined by supplying different heating rates in a differential scanning calorimeter (DSC). The results were evaluated using the equations of Ozawa and Kissinger with respect to the activation energies. Furthermore, the Ozawa method was used for the determination of Avrami parameters, which provides further information on the nucleation and crystallisation processes. Scanning electron microscopy including electron backscatter diffraction (EBSD) was used to characterise the microstructure, to determine the crystallite size and the crystal orientation. For the characterisation of the occurring crystalline phases, X-ray diffraction was used.

Enhanced phosphorescence in N contained Ba 2SiO 4:Eu 2+ for X-ray and cathode ray tubes

NASA Astrophysics Data System (ADS)

Wang, Meiyuan; Zhang, Xia; Hao, Zhendong; Ren, Xinguang; Luo, Yongshi; Wang, Xiaojun; Zhang, Jiahua

2010-07-01

A bluish-green color long-lasting phosphorescent phosphor of N contained Ba 2SiO 4:Eu 2+ for X-ray and cathode ray tubes are prepared with the chemical component formula Ba 2SiO 4:0.01Eu 2+ - xSi 3N 4 - 2BaCO 3 ( x = 0.1 to 1.0) by the conventional high-temperature solid-state method. The phosphorescence and fluorescence properties as a function of Si 3N 4 content and temperature are investigated. The emission spectra show a single broad band peaking at 505 nm, which are ascribed to the 4f 65d 1 → 4f 7 transition of Eu 2+. Thermoluminescence (TL) glow-curves show that Ba 2SiO 4:0.01Eu 2+ without N holds a high-temperature peak at 417 K. With increasing the content of Si 3N 4, the phosphorescence grows super-linearly and some new TL peaks appear at low temperatures of about 400, 355, 365, and 335 K. These peaks are ascribed to the formation of new traps related to N substitution for O.

Optical properties of (50-X)BaO-X(YF2)-50P2O5 glasses

NASA Astrophysics Data System (ADS)

Narayanan, Manoj Kumar; Shashikala, H. D.

2018-05-01

Glasses with composition (50-X)BaO-X(YF2)-50P2O5 (Y - Ca, Ba, X = 0, 10, 20 mol%) were prepared using conventional melt-quenching technique. Optical parameters of prepared samples such as optical band gap energy increased, while Urbach energy and refractive index decreased with partial substitution of BaO with CaF2 or BaF2 in the glass batch.

Ba 2TeO: A new layered oxytelluride

DOE PAGES

Besara, T.; Ramirez, D.; Sun, J.; ...

2015-02-01

For single crystals of the new semiconducting oxytelluride phase, Ba 2TeO, we synthesized from barium oxide powder and elemental tellurium in a molten barium metal flux. Ba 2TeO crystallizes in tetragonal symmetry with space group P4/nmm (#129), a=5.0337(1) Å, c=9.9437(4) Å, Z=2. The crystals were characterized by single crystal x-ray diffraction, heat capacity and optical measurements. Moreover, the optical measurements along with electronic band structure calculations indicate semiconductor behavior with a band gap of 2.93 eV. Resistivity measurements show that Ba 2TeO is highly insulating.

Single crystal synthesis and magnetism of the Ba Ln 2O 4 family ( Ln = lanthanide)

DOE PAGES

Besara, Tiglet; Lundberg, Matthew S.; Sun, Jifeng; ...

2014-05-27

The series of compounds in the Ba Ln 2O 4 family (Ln = La–Lu, Y) has been synthesized for the first time in single crystalline form, using a molten metal flux. The series crystallizes in the CaV 2O 4 structure type with primitive orthorhombic symmetry (space group Pnma, #62), and a complete structural study of atomic positions, bonds, angles, and distortions across the lanthanide series is presented. With the exception of the Y, La, Eu, and Lu members, magnetic susceptibility measurements were performed between 2 K and 300 K. BaCe 2O 4 and BaYb 2O 4 display large crystal fieldsmore » effects and suppression of magnetic ordering. As a result, all compounds show signs of magnetic frustration due to the trigonal arrangements of the trivalent lanthanide cations in the structure.« less

Tailoring the structure and thermoelectric properties of BaTiO3via Eu2+ substitution.

PubMed

Xiao, Xingxing; Widenmeyer, Marc; Xie, Wenjie; Zou, Tianhua; Yoon, Songhak; Scavini, Marco; Checchia, Stefano; Zhong, Zhicheng; Hansmann, Philipp; Kilper, Stefan; Kovalevsky, Andrei; Weidenkaff, Anke

2017-05-31

A series of Ba 1-x Eu x TiO 3-δ (0.1 ≤ x ≤ 0.9) phases with ∼40 nm particle size were synthesized via a Pechini method followed by annealing and sintering under a reducing atmosphere. The effects of Eu 2+ substitution on the BaTiO 3 crystal structure and the thermoelectric transport properties were systematically investigated. According to synchrotron X-ray diffraction data only cubic perovskite structures were observed. On the local scale below about 20 Å (equal to ∼5 unit cells) deviations from the cubic structure model (Pm3[combining macron]m) were detected by evaluation of the pair distribution function (PDF). These deviations cannot be explained by a simple symmetry breaking model like in EuTiO 3-δ . The best fit was achieved in the space group Amm2 allowing for a movement of Ti and Ba/Eu along 〈110〉 of the parent unit cell as observed for BaTiO 3 . Density functional calculations delivered an insight into the electronic structure of Ba 1-x Eu x TiO 3-δ . From the obtained density of states a significant reduction of the band gap by the presence of filled Eu 2+ 4f states at the top of the valence band was observed. The physical property measurements revealed that barium-europium titanates exhibit n-type semiconducting behavior and at high temperature the electrical conductivity strongly depended on the Eu 2+ content. Activation energies calculated from the electrical conductivity and Seebeck coefficient data indicate that at high temperatures (800 K < T < 1123 K) the conduction mechanism of Ba 1-x Eu x TiO 3-δ (0.1 ≤ x ≤ 0.9) is a polaron hopping when 0 < x ≤ 0.6 and is a thermally activated process when 0.6 < x < 1. Besides, the thermal conductivity increases with increasing Eu 2+ concentration. Due to a remarkable improvement of the power factor, Ba 0.1 Eu 0.9 TiO 3-δ showed a ZT value of 0.24 at 1123 K.

Synthesis and Thermodynamic Stability of Ba2B‧B″O6 and Ba3B*B″2O9 Perovskites Using the Molten Salt Method

NASA Astrophysics Data System (ADS)

Meng, Wei; Virkar, Anil V.

1999-12-01

A number of mixed perovskites of the types Ba2B‧B″O6 (BaB‧1/2B″1/2O3) and Ba3B*B″2O9 (BaB*1/3B″2/3O3) where B‧=Gd, La, Nd, Sm, or Y; B″=Nb and B*=Ca were synthesized by a conventional calcination process, as well as by the molten salt method. The former consists of calcining appropriate mixtures of oxide or carbonate precursors in air at elevated temperatures (∼1250°C). The latter method consists of adding appropriate mixtures of oxide or carbonate precursors to a molten salt bath at relatively low temperatures (on the order of 300 to 500°C) so that the requisite compound is formed by dissolution-reprecipitation. X-ray diffraction confirmed the formation of a single-phase perovskite in each case with calcination at 1250°C. In a molten salt bath, however, all except Ba2LaNbO6 and Ba2NdNbO6 formed the perovskite structure. On the contrary, powders of Ba2LaNbO6 and Ba2NdNbO6 formed by a high-temperature calcination process readily decomposed when introduced into the molten salt bath. The formation of the requisite perovskite at a temperature as low as 350°C in a molten salt suggests that: (a) The perovskite is stable at 350°C. (b) The molten salt exhibits sufficient precursor solubility for the dissolution-reprecipitation process to occur in a reasonable time. Similarly, the decomposition of Ba2LaNbO6 and Ba2NdNbO6 in a molten salt bath shows that these materials are thermodynamically unstable at the temperature of the molten salt bath.

Synthesis of Y1Ba2Cu3O(sub x) superconducting powders by intermediate phase reaction

NASA Technical Reports Server (NTRS)

Moore, C.; Fernandez, J. F.; Recio, P.; Duran, P.

1990-01-01

One of the more striking problems for the synthesis of the Y1Ba2Cu3Ox compound is the high-temperature decomposition of the BaCO3. This compound is present as raw material or as an intermediate compound in chemical processes such as amorphous citrate, coprecipitation oxalate, sol-gel process, acetate pyrolisis, etc. This fact makes difficult the total formation reaction of the Y1Ba2Cu3Ox phase and leads to the presence of undesirable phases such as the BaCuO2 phase, the 'green phase', Y2BaCuO5 and others. Here, a new procedure to overcome this difficulty is studied. The barium cation is previously combined with yttrium and/or copper to form intermediate compounds which can react between them to give Y1Ba2Cu3Ox. BaY2O4 and BaCu2O3 react according to the equation BaY2O4+3BaCu2O3 yields 2Y1Ba2Cu3Ox. BaY2O4 is a stable compound of the Y2O3-BaO system; BaCu2O3 is an intimate mixture of BaCuO2 and uncombined CuO. The reaction kinetics of these phases have been established between 860 and 920 C. The phase evolution has been determined. The crystal structure of the Y1Ba2Cu3Ox obtained powder was studied. According to the results obtained from the kinetics study the Y1Ba2Cu3Ox the synthesis was performed at temperatures of 910 to 920 C for short treatment times (1 to 2 hours). Pure Y1Ba2Cu3Ox was prepared, which develops orthorombic type I structure despite of the cooling cycle. Superconducting transition took place at 91 K. The sintering behavior and the superconducting properties of sintered samples were studied. Density, microstructure and electrical conductivity were measured. Sintering densities higher than 95 percent D(sub th) were attained at temperatures below 940 C. Relatively fine grained microstructure was observed, and little or no-liquid phase was detected.

Dachiardite-K, (K2Ca)(Al4Si20O48) · 13H2O, a new zeolite from Eastern Rhodopes, Bulgaria

NASA Astrophysics Data System (ADS)

Chukanov, N. V.; Encheva, S.; Petrov, P.; Pekov, I. V.; Belakovskiy, D. I.; Britvin, S. N.; Aksenov, S. M.

2016-12-01

Dachiardite-K (IMA No. 2015-041), a new zeolite, is a K-dominant member of the dachiardite series with the idealized formula (K2Ca)(Al4Si20O48) · 13H2O. It occurs in the walls of opal-chalcedony veinlets cutting hydrothermally altered effusive rocks of the Zvezdel paleovolcanic complex near the village of Austa, Momchilgrad Municipality, Eastern Rhodopes, Bulgaria. Chalcedony, opal, dachiardite-Ca, dachiardite-Na, ferrierite-Mg, ferrierite-K, clinoptilolite-Ca, clinoptilolite-K, mordenite, smectite, celadonite, calcite, and barite are associated minerals. The mineral forms radiated aggregates up to 8 mm in diameter consisting of split acicular individuals. Dachiardite-K is white to colorless. Perfect cleavage is observed on (100). D meas = 2.18(2), D calc = 2.169 g/cm3. The IR spectrum is given. Dachiardite-K is biaxial (+), α = 1.477 (calc), β = 1.478(2), γ = 1.481(2), 2 V meas = 65(10)°. The chemical composition (electron microprobe, mean of six point analyses, H2O determined by gravimetric method) is as follows, wt %: 4.51 K2O, 3.27 CaO, 0.41 BaO, 10.36 A12O3, 67.90 SiO2, 13.2 H2O, total is 99.65. The empirical formula is H26.23K1.71Ca1.04Ba0.05Al3.64Si20.24O61. The strongest reflections in the powder X-ray diffraction pattern [ d, Å (I, %) (hkl)] are: 9.76 (24) (001), 8.85 (58) (200), 4.870 (59) (002), 3.807 (16) (202), 3.768 (20) (112, 020), 3.457 (100) (220), 2.966 (17) (602). Dachiardite-K is monoclinic, space gr. C2/m, Cm or C2; the unit cell parameters refined from the powder X-ray diffraction data are: a = 18.670(8), b = 7.511(3), c = 10.231(4) Å, β = 107.79(3)°, V= 1366(1) Å3, Z = 1. The type specimen has been deposited in the Earth and Man National Museum, Sofia, Bulgaria, with the registration number 23927.

Interaction of overlayers of Al and Rb with single-crystalline surfaces of Bi2Sr2CaCu2O8

NASA Astrophysics Data System (ADS)

Lindberg, P. A. P.; Wells, B. O.; Shen, Z.-X.; Dessau, D. S.; Lindau, I.; Spicer, W. E.; Mitzi, D. B.; Kapitulnik, A.

1990-03-01

Photoemission results from Al and Rb interfaces with single crystals of Bi2Sr2CaCu2O8 high-temperature superconductors are reported. The Al and Rb adsorbates are found to react quite differently with the Bi2Sr2CaCu2O8 substrate. While adatoms of Rb significantly affect only the Bi and O atoms in the top atomic layer, the Al adsorbate profoundly disrupts the bonding character of the whole Bi2Sr2CaCu2O8 material. For Al, the Bi and Cu states are strongly reduced, and the Sr and O states show evidence of oxidized components. In addition, Al causes a strong out-diffusion of oxygen from the bulk. The differences in the reactivity of Al and Rb are discussed in terms of the different mobility of the two atoms.

Structural diversities induced by cation sizes in a series of fluorogermanophosphates: A2[GeF2(HPO4)2] (A = Na, K, Rb, NH4, and Cs).

PubMed

Chen, Zhang-Gai; Huang, Xia; Zhuang, Rong-Chuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi

2017-09-12

Germanophosphates, in comparison with other metal phosphates, have been less studied but potentially exhibit more diverse structural chemistry with wide applications. Herein we applied a hydro-/solvo-fluorothermal route to make use of both the "tailor effect" of fluoride for the formation of low dimensional anionic clusters and the presence of alkali cations of different sizes to align the anionic clusters to control the overall crystal symmetries of germanophosphates. The synergetic effects of fluoride and alkali cations led to structural changes from chain-like structures to layered structures in a series of five novel fluorogermanophosphates: A 2 [GeF 2 (HPO 4 ) 2 ] (A = Na, K, Rb, NH 4 , and Cs, denoted as Na, K, Rb, NH4, and Cs). Although these fluorogermanophosphates have stoichiometrically equivalent formulas, they feature different anionic clusters, diverse structural dimensionalities, and contrasting crystal symmetries. Chain-like structures were observed for the compounds with the smaller sized alkali ions (Na + , K + , and Rb + ), whereas layered structures were found for those containing the larger sized cations ((NH 4 ) + and Cs + ). Specifically, monoclinic space groups were observed for the Na, K, Rb, and NH4 compounds, whereas a tetragonal space group P4/mbm was found for the Cs compound. These compounds provide new insights into the effects of cation sizes on the anionic clusters built from GeO 4 F 2 octahedra and HPO 4 tetrahedra as well as their influences on the overall structural symmetries in germanophosphates. Further characterization including IR spectroscopy and thermal analyses for all five compounds is also presented.

Spin-Coating and Characterization of Multiferroic MFe{sub 2}O{sub 4} (M=Co, Ni) / BaTiO{sub 3} Bilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quandt, Norman; Roth, Robert; Syrowatka, Frank

2016-01-15

Bilayer films of MFe{sub 2}O{sub 4} (M=Co, Ni) and BaTiO{sub 3} were prepared by spin coating of N,N-dimethylformamide/acetic acid solutions on platinum coated silicon wafers. Five coating steps were applied to get the desired thickness of 150 nm for both the ferrite and perovskite layer. XRD, IR and Raman spectroscopy revealed the formation of phase-pure ferrite spinels and BaTiO{sub 3}. Smooth surfaces with roughnesses in the order of 3 to 5 nm were found in AFM investigations. Saturation magnetization of 347 emu cm{sup −3} for the CoFe{sub 2}O{sub 4}/BaTiO{sub 3} and 188 emu cm{sup −3} for the NiFe{sub 2}O{sub 4}/BaTiO{submore » 3} bilayer, respectively were found. For the CoFe{sub 2}O{sub 4}/BaTiO{sub 3} bilayer a strong magnetic anisotropy was observed with coercivity fields of 5.1 kOe and 3.3 kOe (applied magnetic field perpendicular and parallel to film surface), while for the NiFe{sub 2}O{sub 4}/BaTiO{sub 3} bilayer this effect is less pronounced. Saturated polarization hysteresis loops prove the presence of ferroelectricity in both systems. - Graphical abstract: The SEM image of the CoFe{sub 2}O{sub 4}/BaTiO{sub 3} bilayer on Pt–Si-substrate (left), magnetization as a function of the magnetic field perpendicular and parallel to the film plane (right top) and P–E and I–V hysteresis loops of the bilayer at room temperature. - Highlights: • Ferrite and perovskite oxides grown on platinum using spin coating technique. • Columnar growth of cobalt ferrite particle on the substrate. • Surface investigation showed a homogenous and smooth surface. • Perpendicular and parallel applied magnetic field revealed a magnetic anisotropy. • Switching peaks and saturated P–E hysteresis loops show ferroelectricity.« less

Ferromagnetic Peierls insulator state in A Mg4Mn6O15(A =K ,Rb ,Cs )

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Sugimoto, K.; Ohta, Y.; Tanaka, Y.; Sato, H.

2018-04-01

Using the density-functional-theory-based electronic structure calculations, we study the electronic state of recently discovered mixed-valent manganese oxides A Mg4Mn6O15(A =K ,Rb ,Cs ) , which are fully spin-polarized ferromagnetic insulators with a cubic crystal structure. We show that the system may be described as a three-dimensional arrangement of the one-dimensional chains of a 2 p orbital of O and a 3 d orbital of Mn running along the three axes of the cubic lattice. We thereby argue that in the ground state the chains are fully spin polarized due to the double-exchange mechanism and are distorted by the Peierls mechanism to make the system insulating.

Revisiting the BaO2/BaO redox cycle for solar thermochemical energy storage.

PubMed

Carrillo, A J; Sastre, D; Serrano, D P; Pizarro, P; Coronado, J M

2016-03-21

The barium peroxide-based redox cycle was proposed in the late 1970s as a thermochemical energy storage system. Since then, very little attention has been paid to such redox couples. In this paper, we have revisited the use of reduction-oxidation reactions of the BaO2/BaO system for thermochemical heat storage at high temperatures. Using thermogravimetric analysis, reduction and oxidation reactions were studied in order to find the main limitations associated with each process. Furthermore, the system was evaluated through several charge-discharge stages in order to analyse its possible degradation after repeated cycling. Through differential scanning calorimetry the heat stored and released were also determined. Oxidation reaction, which was found to be slower than reduction, was studied in more detail using isothermal tests. It was observed that the rate-controlling step of BaO oxidation follows zero-order kinetics, although at high temperatures a deviation from Arrhenius behaviour was observed probably due to hindrances to anionic oxygen diffusion caused by the formation of an external layer of BaO2. This redox couple was able to withstand several redox cycles without deactivation, showing reaction conversions close to 100% provided that impurities are previously eliminated through thermal pre-treatment, demonstrating the feasibility of this system for solar thermochemical heat storage.

The influence of apical oxygen on the increase of Tc in Y Ba2Cu3O7-X

NASA Astrophysics Data System (ADS)

Dul'kin, E.

2004-07-01

The direct current (DC) bulk resistance and acoustic emission of Y Ba2Cu3O7-X ceramic samples have simultaneously been measured during heating in a temperature region of 400-700 K. Near 560 K, an anomaly of rgr, accompanied by an acoustic emission, has been observed. After this anomaly rgr reached a lower value than had previously been measured. The observed rgr decrease and acoustic emission signals confirm that Y Ba2Cu3O7-X ceramic samples absorb oxygen during heating in the temperature region of 500-600 K, as shown by previous dilatometric measurements (Dul'kin 2001 J. Superconductivity 14 497). It is shown that absorbed oxygen atoms enter O4 apical oxygen sites and are able to increase the Tc in Y Ba2Cu3O7-X material.

Positron lifetime studies of defect structures in Ba(1-x)K(x)BiO3

NASA Astrophysics Data System (ADS)

Obrien, J. C.; Howell, R. H.; Radousky, H. B.; Sterne, P. A.; Hinks, D. G.; Folkerts, T. J.; Shelton, R. N.

1990-12-01

Temperature-dependent positron lifetime experiments have been performed from room temperature to cryogenic temperatures on Ba(1-x)K(x)BiO3, for x = 0.4 and 0.5. From the temperature dependence of the positron lifetime in the normal state, we observe a clear signature of competition between separate defect populations to trap the positron. Theoretical calculations of lifetimes of free or trapped positrons have been performed on Ba(1-x)K(x)BiO3, to help identify these defects. Lifetime measurements separated by long times have been performed and evidence of aging effects in the sample defect populations is seen in these materials.

Interfacial magnetic coupling in hetero-structure of Fe/double-perovskite NdBaMn2O6 single crystal

NASA Astrophysics Data System (ADS)

Lin, W. C.; Tsai, C. L.; Ogawa, K.; Yamada, S.; Gandhi, Ashish C.; Lin, J. G.

2018-04-01

The interfacial magnetic coupling between metallic Fe and the double-perovskite NdBaMn2O6 single crystal was investigated in the heterostructure of 4-nm Pd/10-nm Fe/NdBaMn2O6. A considerable magnetic coupling effect was observed in the temperature range coincident with the magnetic phase transition of NdBaMn2O6. When the temperature was elevated above 270 K, NdBaMn2O6 transformed from a state of antiferromagnetic fluctuating domains to a superparamagnetism-like (ferromagnetic fluctuation) state with high magnetic susceptibility. Concurrently, the interfacial magnetic coupling between the Fe layer and the NdBaMn2O6 crystal was observed, as indicated by the considerable squareness reduction and coercivity enhancement in the Fe layer. Moreover, the presence of the Fe layer changed the magnetic structure of NdBaMn2O6 from conventional 4-fold symmetry to 2-fold symmetry. These observations offer applicable insights into the mutual magnetic interaction in the heterostructures of metallic ferromagnetism/perovskite materials.

Magneto-optical properties of BaTiO3/La0.76Sr0.24MnO3/BaTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Moog, M.; Singamaneni, S. R.; Prater, J. T.; Biegalski, M. D.; Tsui, F.

2018-05-01

The magnetic properties of epitaxial BaTiO3/La0.76Sr0.24MnO3/BaTiO3 (BTO/LSMO/BTO) heterostructures have been studied using magneto-optic Kerr effect (MOKE) technique. Both longitudinal and polar MOKE were probed as a function of magnetic field and temperature (in the range between 80 and 320 K) for epitaxial films of BTO/LSMO/BTO and LSMO grown on TiO2-terminated SrTiO3 (001) substrates by pulsed laser deposition technique. The LSMO film without the BTO layers exhibits nearly square field-dependent MOKE hysteresis loops with low saturation fields below a bulk-like Curie temperature (TC) of ˜ 350K. In contrast, the film with the BTO layers exhibits a significantly suppressed TC of 155 K, accompanied by significantly enhanced coercive fields and perpendicular magnetic anisotropy.

Quasi-two-dimensional Bose-Einstein condensation of spin triplets in the dimerized quantum magnet Ba 2 CuSi 2 O 6 Cl 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okada, Makiko; Tanaka, Hidekazu; Kurita, Nobuyuki

We synthesized single crystals of composition Ba 2CuSi 2O 6Cl 2 and investigated their quantum magnetic properties. The crystal structure is closely related to that of the quasi-two-dimensional (2D) dimerized magnet BaCuSi 2O 6 also known as Han purple. Ba 2CuSi 2O 6Cl 2 has a singlet ground state with an excitation gap of Δ/k B = 20.8 K. The magnetization curves for two different field directions almost perfectly coincide when normalized by the g factor except for a small jump anomaly for a magnetic field perpendicular to the c axis. The magnetization curve with a nonlinear slope above themore » critical field is in excellent agreement with exact-diagonalization calculations based on a 2D coupled spin-dimer model. Individual exchange constants are also evaluated using density functional theory (DFT). The DFT results demonstrate a 2D exchange network and weak frustration between interdimer exchange interactions, supported by weak spin-lattice coupling implied from our magnetostriction data. Lastly, the magnetic-field-induced spin ordering in Ba 2CuSi 2O 6Cl 2 is described as the quasi-2D Bose-Einstein condensation of triplets.« less

Quasi-two-dimensional Bose-Einstein condensation of spin triplets in the dimerized quantum magnet Ba 2 CuSi 2 O 6 Cl 2

DOE PAGES

Okada, Makiko; Tanaka, Hidekazu; Kurita, Nobuyuki; ...

2016-09-20

We synthesized single crystals of composition Ba 2CuSi 2O 6Cl 2 and investigated their quantum magnetic properties. The crystal structure is closely related to that of the quasi-two-dimensional (2D) dimerized magnet BaCuSi 2O 6 also known as Han purple. Ba 2CuSi 2O 6Cl 2 has a singlet ground state with an excitation gap of Δ/k B = 20.8 K. The magnetization curves for two different field directions almost perfectly coincide when normalized by the g factor except for a small jump anomaly for a magnetic field perpendicular to the c axis. The magnetization curve with a nonlinear slope above themore » critical field is in excellent agreement with exact-diagonalization calculations based on a 2D coupled spin-dimer model. Individual exchange constants are also evaluated using density functional theory (DFT). The DFT results demonstrate a 2D exchange network and weak frustration between interdimer exchange interactions, supported by weak spin-lattice coupling implied from our magnetostriction data. Lastly, the magnetic-field-induced spin ordering in Ba 2CuSi 2O 6Cl 2 is described as the quasi-2D Bose-Einstein condensation of triplets.« less

Synthesis and characterisation of the n = 2 Ruddlesden–Popper phases Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gurusinghe, Nicola N.M.; Figuera, Juand de la; Marco, José F.

2013-09-01

Graphical abstract: - Highlights: • Some Ruddlesden–Popper phases have been characterised. • Substitution on the A site influences cationic order. • The magnetic moment redirects with temperature - Abstract: A series of n = 2 Ruddlesden–Popper phases A{sub 2}B{sub 2}O{sub 7} of composition Ln{sub 2}Sr(Ba)Fe{sub 2}O{sub 7} (Ln = La, Nd, Eu) have been prepared. La{sub 2}SrFe{sub 2}O{sub 7} and La{sub 2}BaFe{sub 2}O{sub 7} crystallise in the tetragonal space group I4/mmm. The structures of Eu{sub 2}SrFe{sub 2}O{sub 7} and Nd{sub 2}SrFe{sub 2}O{sub 7} are best described in space group P4{sub 2}/mnm. Substitution on the A site with smaller lanthanide- andmore » larger alkaline metal- ions leads to enhanced cationic order in these phases and reflects increasing differences in cationic radii. All the compounds are antiferromagnetically ordered between 298 and 2 K. In La{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment lies along [1 1 0] at all temperatures between 298 and 2 K whereas in La{sub 2}BaFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along the crystallographic x-axis but redirects from the [1 0 0] to the [1 1 0] direction between 210 and 190 K and is retained in this direction until 2 K. In Nd{sub 2}SrFe{sub 2}O{sub 7} the magnetic moment at 298 K lies along [1 1 0] but rotates from [1 1 0] to [0 0 1] between 17 and 9 K. A series of {sup 57}Fe Mössbauer spectra recorded from La{sub 2}SrFe{sub 2}O{sub 7} between 290 and 600 K indicate a magnetic ordering temperature of T{sub N} ≥ 535 K.« less

K0.78Na0.22MoO2AsO4

PubMed Central

Jouini, Raja; Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed

2013-01-01

The title compound, potassium sodium dioxidomolybden­um(VI) arsenate, K0.78Na0.22MoO2AsO4, was synthesized by a solid-state reaction route. The structure is built up from corner-sharing MoO6 octa­hedra and AsO4 tetra­hedra, creating infinite [MoAsO8]∞ chains running along the b-axis direction. As, Mo and all but one O atom are on special positions (4c) with m symmetry and K (occupancy 0.78) is on a position (4a) of -1 in the tunnels. The possible motion of the alkali cations has been investigated by means of the bond-valance sum (BVS) model. The simulation shows that the Na+ motion appears to be easier mainly along the b-axis direction. Structural relationships between the different compounds of the AMoO2AsO4 (A = Ag, Li, Na, K, Rb) series and MXO8 (M = V; X = P, As) chains are discussed. PMID:24109253

Experimental determination of carbon partitioning between upper mantle minerals and silicate melts: initial results and comparison to trace element partitioning (Nb, Rb, Ba, U, Th, K)

NASA Astrophysics Data System (ADS)

Rosenthal, A.; Hauri, E. H.; Hirschmann, M. M.; Davis, F. A.; Withers, A. C.; Fogel, M. L.

2012-12-01

Inventories of C in the mantle and magmatic fluxes of C between the mantle and the Earth's outer envelopes are poorly constrained in part owing to challenges in determining undegassed C concentrations of pristine basalts. Saal et al. [1] proposed that the behavior of Nb could be used as a proxy for C, owing to apparently similar behavior of the two elements in Siqueiros Transform MORB, but higher C/Nb ratios in popping rocks [2] call into question the applicability of the C/Nb proxy. Here, we present experimentally determined carbon partition coefficients (D's) between nominally volatile-free mantle minerals (olivine, OL; orthopyroxene, OPX; clinopyroxene, CPX; garnet, GA) and melts at 0.8-3 GPa, and 1250-1500°C. We conducted piston-cylinder experiments using an olivine-tholeiite + 4 wt% CO2, doped with Nb, Rb, U, Th, and 13C to enhance detection limits. To promote growth of crystals big enough for SIMS analyses, experiments were either long (<6 days), or at an initial higher temperature (T) before cooling slowly to a target T. We also produced SIMS calibration glass standards with varying amounts of C, and subject to ongoing analyses. We analyzed carbon (12C, 13C), H, F, and trace elements (Nb, Rb, Ba, U, Th, K) of both mineral phases and quenched liquids in subsets of experimental runs (21 in graphite-lined Pt-capsules, 6 in Fe-doped Pt-lined capsules) using both Cameca IMS 6F and NanoSIMS instruments. D's measured for 12C and 13C are close to 5x10-4, in most cases D13C>D12C, but a few have the opposite. Continuous exchange of the liquid (initially rich in 13C) with the graphite capsules (rich in 12C) may yield D's with 13C>12C. D's with 12C>13C are likely owing to either low count rates or comparatively high analytical contamination. Concentrations in minerals vary from 0.20-3.46 ppm for C, 25-176 ppm for H2O, and 0.05-1.21 ppm for F, whereas liquids tend to much higher values (C≤0.9 wt%; H2O≤1.5 wt%; F≤34 ppm; P≤0.25 wt%; S≤43 ppm; Cl≤77 ppm

The interaction of NO2 with BaO: from cooperative adsorption to Ba(NO3)2 formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yi, Cheol-Woo W.; Kwak, Ja Hun; Szanyi, Janos

2007-10-25

The effect of water on the morphology of BaO/Al2O3-based NOx storage materials was investigated using Fourier transform infrared spectroscopy, temperature programmed desorption, and time-resolved synchrotron X-ray diffraction techniques. The results of this multi-spectroscopy study reveal that, in the presence of water, surface Ba-nitrates convert to bulk nitrates, and water facilitates the formation of large Ba(NO3)2 particles. The conversion of surface to bulk Ba-nitrates is completely reversible, i.e. after the removal of water from the storage material a significant fraction of the bulk nitrates re-convert to surface nitrates. NO2 exposure of a H2O-containing (wet) BaO/Al2O3 sample results in the formation ofmore » nitrites and bulk nitrates exclusively, i.e. no surface nitrates form. After further exposure to NO2, the nitrites completely convert to bulk nitrates. The amount of NOx taken up by the storage material is, however, essentially unaffected by the presence of water, regardless of whether the water was dosed prior to or after NO2 exposure. Based on the results of this study we are now able to explain most of the observations reported in the literature on the effect of water on NOx uptake on similar storage materials.« less

Ba{sub 3}ZnTa{sub 2-x}Nb{sub x}O{sub 9} and Ba{sub 3}MgTa{sub 2-x}Nb{sub x}O{sub 9} (0{<=}x{<=}1): synthesis, structure and dielectric properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thirumal, M.; Jawahar, I.N.; Surendiran, K.P.

2002-11-20

Oxides belonging to the families Ba{sub 3}ZnTa{sub 2-x}Nb{sub x}O{sub 9} and Ba{sub 3}MgTa{sub 2-x}Nb{sub x}O{sub 9} were synthesized by the solid state reaction route. Sintering temperatures of 1300 deg. C led to oxides with disordered (cubic) perovskite structure. However, on sintering at 1425 deg. C hexagonally ordered structures were obtained for Ba{sub 3}MgTa{sub 2-x}Nb{sub x}O{sub 9} over the entire range (0{<=}x{<=}1) of composition, while for Ba{sub 3}ZnTa{sub 2-x}Nb{sub x}O{sub 9} the ordered structure exists in a limited range (0{<=}x{<=}0.5). The dielectric constant is close to 30 for the Ba{sub 3}ZnTa{sub 2-x}Nb{sub x}O{sub 9} family of oxides while the Mg analoguesmore » have lower dielectric constant of {approx}18 in the range 50 Hz to 500 kHz. At microwave frequencies (5-7 GHz) dielectric constant increases with increase in niobium concentration (22-26) for Ba{sub 3}ZnTa{sub 2-x}Nb{sub x}O{sub 9}; for Ba{sub 3}MgTa{sub 2-x}Nb{sub x}O{sub 9} it varies between 12 and 14. The 'Zn' compounds have much higher quality factors and lower temperature coefficient of resonant frequency compared to the 'Mg' analogues.« less

Robust antiferromagnetism preventing superconductivity in pressurized (Ba 0.61K 0.39)Mn 2Bi 2

DOE PAGES

Gu, Dachun; Dai, Xia; Le, Congcong; ...

2014-12-05

BaMn 2Bi 2 possesses an iso-structure of iron pnictide superconductors and similar antiferromagnetic (AFM) ground state to that of cuprates, therefore, it receives much more attention on its properties and is expected to be the parent compound of a new family of superconductors. When doped with potassium (K), BaMn 2Bi 2 undergoes a transition from an AFM insulator to an AFM metal. Consequently, it is of great interest to suppress the AFM order in the K-doped BaMn 2Bi 2 with the aim of exploring the potential superconductivity. Here, we report that external pressure up to 35.6 GPa cannot suppress themore » AFM order in the K-doped BaMn 2Bi 2 to develop superconductivity in the temperature range of 300 K–1.5 K, but induces a tetragonal (T) to an orthorhombic (OR) phase transition at ~20 GPa. Theoretical calculations for the T and OR phases, on basis of our high-pressure XRD data, indicate that the AFM order is robust in the pressurized Ba 0.61K 0.39Mn 2Bi 2. Utlimately, both of our experimental and theoretical results suggest that the robust AFM order essentially prevents the emergence of superconductivity.« less

Synthesis and morphology of Ba1-xRE2x/3Nb2O6 nanocrystals with tungsten bronze structure in RE2O3-BaO-Nb2O5-B2O3 glasses (RE: Sm, Eu, Gd, Dy, Er)

NASA Astrophysics Data System (ADS)

Ida, H.; Shinozaki, K.; Honma, T.; Oh-ishi, K.; Komatsu, T.

2012-12-01

Ba1-xRE2x/3Nb2O6 nanocrystals with a tetragonal tungsten bronze (TTB) structure are synthesized using a conventional glass crystallization technique in 2.3RE2O3-27.4BaO-34.3Nb2O5-36B2O3 (mol%) (RE=Sm, Eu, Gd, Dy, and Er) glasses. One sharp crystallization peak is observed at ∼670 °C in both powdered and bulk glasses, and the formation of Ba1-xRE2x/3Nb2O6 nanocrystals with unit cell parameters of a∼1.24 nm and c∼0.39 nm was confirmed. It is found from high resolution transmission electron microscope observations that the morphology of Ba1-xRE2x/3Nb2O6 nanocrystals is ellipsoidal. Their average particle size is in the range of 15-60 nm and decreases with decreasing ionic radius of RE3+ being present in the precursor glasses. The optical transparent crystallized glass (bulk) shows the total photoluminescence (PL) quantum yield of 53% in the visible region of Eu3+ ions, suggesting a high potential of Ba1-xRE2x/3Nb2O6 nanocrystals as PL materials.

Snynthesis and magnetization of BaLn2O4 (Ln = lanthanide)

NASA Astrophysics Data System (ADS)

Lundberg, Matthew

The BaLn2O4 family has been synthesized successfully as single crystals by the flux-growth method. The phases crystallize in the CaV2O4 structure prototype in space group Pnma (# 62). The structure has been studied using single-crystal x-ray diffraction, and stoichiometry confirmed with EDS, and the unit cell parameters and atomic positions have been determined for the whole lanthanide series (with the exception of the Lu compound). The effects of the lanthanide ionic radius on the atomic positions in the unit cell has been studied in terms of fractional atomic coordinates, bond lengths and angles, and bond valence sums. Magnetic measurements have been performed on the series with the exception of the La, Eu, and Lu members in the form of susceptibility versus temperature. The crystals all show signs of geometric antiferromagnetic frustration with the Neel temperatures significantly below the temperature predicted by the Weiss constant. Additionally some members of the family, namely BaCe2O4, BaNd2O4, BaPr 2O4, BaSm2O4, BaTb2O 4, and BaYb2O4 show significant crystal field splitting, that causes deviation from Currie-Weiss behavior.

Formation of high-Tc YBa2Cu3O(7-delta) films on Y2BaCuO5 substrate

NASA Astrophysics Data System (ADS)

Wang, W. N.; Lu, H. B.; Lin, W. J.; Yao, P. C.; Hsu, H. E.

1988-07-01

High-Tc superconducting YBa2Cu3O(7-delta) films have been successfully prepared on green Y2BaCuO5 (2115) ceramic substrate. The films have been formed by RF sputtering and screen printing with post annealing at 925 C. Regarding superconducting features, the sharp resistivity drop with Tc onset around 95 K (midpoint 84 K) and 99 K (midpoint 89 K) has been observed for RF sputtered and printed films respectively. Both films show the excellent adhesion towards the 2115 substrate. Powder X-ray diffraction profiles indicate a majority of 1237 phase with preferred orientation for RF sputtered thin film.

Reaction of Rb and oxygen overlayers with single-crystalline Bi2Sr2CaCu2O8+δ superconductors

NASA Astrophysics Data System (ADS)

Lindberg, P. A. P.; Shen, Z.-X.; Wells, B. O.; Dessau, D. S.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1989-02-01

Single crystals of Bi2Sr2CaCu2O8+δ superconductors, in situ cleaved and modified by Rb and oxygen overlayers, have been studied using ultraviolet and x-ray photoemission spectroscopy. The core-level results show that Rb strongly reacts with the Bi and O states, while the Cu and Sr states are left unchanged. This observation strongly indicates that the Bi-O plane forms the surface layer. Subsequent exposure to oxygen results in new oxygen states at the surface as monitored by the O 1s core-level data. For both Rb and oxygen overlayers the valence-band spectra are severely altered. In particular, new valence-band states, presumably of oxygen character, are formed.

Comparison of magnetic and thermoelectric properties of (Nd,Ca)BaCo2O5.5 and (Nd,Ca)CoO3

NASA Astrophysics Data System (ADS)

Kolesnik, S.; Dabrowski, B.; Chmaissem, O.; Wojciechowski, K.; Świerczek, K.

2012-04-01

Magnetic and thermoelectric properties of Nd1-xCaxBaCo2O5.5 and Nd1-xCaxCoO3 have been studied. Ca doping in Nd1-xCaxBaCo2O5.5 (x ≤ 0.2) preserves the metal to insulator transition (MIT) at 340-360 K. While the antiferromagnetic state disappears upon doping, the Curie temperature is increasing and becomes close to MIT for x > 0.12. The magnetic susceptibility of Nd1-xCaxCoO3 is paramagnetic for x up to 0.2, similar to the parent compound, with some indication of cluster-glass-like behavior at temperatures below 30 K. The increasing effective paramagnetic moments with doping suggest a low spin state of Co3+ and a high spin state of Co4+. Maximum observed ZT reaches a value close to 0.2 for x = 0.15 at 800 K, which is one of the highest values for perovskite cobaltites.

Constraining the 40K decay constant with 87Rb-87Sr - 40K-40Ca chronometer intercomparison

NASA Astrophysics Data System (ADS)

Naumenko-Dèzes, Maria O.; Nägler, Thomas F.; Mezger, Klaus; Villa, Igor M.

2018-01-01

A literature survey reveals that the K-Ar chronometer gives ages that are ca. 1% younger than U-Pb ages. This offset is generally attributed to an inaccurate 40K decay constant. Three geological samples selected from a shortlist of eight with known U-Pb ages were investigated using detailed petrological methods and subsequently the Rb-Sr and K-Ca chronometers in order (a) to evaluate if they meet the requirement of a geological history reflecting a ;point-like; event (i.e. isochronous formation and subsequent ideal closure of chronometers) and (b) to narrow down the systematic uncertainty on the 40K decay constant by investigating the metrologically traceable K-Ca decay branch. Lepidolite of the Rubikon pegmatite, Namibia, was dated with Rb-Sr at 504.7 ± 4.2 Ma and the phlogopite and apatite from the Phalaborwa carbonatite complex, South Africa, yielded a Rb-Sr age of 2058.9 ± 5.2 Ma. Both Rb-Sr ages agree with published U-Pb ages. The Rb-Sr age of the late Archean Siilinjärvi carbonatite, Finland, records a later regional metamorphic event at 1869 ± 10 Ma. Only the samples from the Phalaborwa complex represent a ;point-like; magmatic event and meet all the criteria to make them suitable for the 40K decay constant intercalibration. The Phalaborwa K-Ca isochron has a slope of 1.878 ± 0.012. Forcing the K-Ca isochron to coincide with the U-Pb and Rb-Sr ages gives one equation with two unknowns. Assuming that the branching ratio of the K-Ca branch, BCa, lies in the interval (k = 2) of all published references, 0.8925 < BCa < 0.8963, then the most reliable uncertainty interval (k = 2) for the total 40K decay constant, λtot, is calculated as 5.484 × 10-10 a-1 < λtot < 5.498 × 10-10 a-1. This confirms that the currently used IUGS recommendation is inaccurate.

β-K3Fe(MoO4)2Mo2O7

PubMed Central

Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed

2014-01-01

The title compound, tripotassium iron(III) bis­(ortho­molyb­date) dimolybdate, was obtained by a solid-state reaction. The main structural building units are one FeO6 octa­hedron, two MoO4 tetra­hedra and one Mo2O7 dimolybdate group, all with point group symmetries m. These units are linked via corner-sharing to form ribbons parallel to [010]. The three K+ cations are located between the ribbons on mirror planes and have coordination numbers of 10 and 12. Two O atoms of one of the MoO4 tetra­hedra of the dimolybdate group are disordered over two positions in a 0.524 (11):0.476 (11) ratio. The structure of the title compound is compared briefly with that of Rb3FeMo4O15. PMID:25161509

Low-temperature specific heat of single-crystal Bi2CaSr2Cu2O8 and Tl2Ca2Ba2Cu3O10

NASA Astrophysics Data System (ADS)

Urbach, J. S.; Mitzi, D. B.; Kapitulnik, A.; Wei, J. Y. T.; Morris, D. E.

1989-06-01

We report specific-heat measurements from 2 to 15 K on single crystals of Bi2CaSr2Cu2O8 and Tl2Ca2Ba2Cu3O10 We find low-temperature deviations from the Debye law that can be attributed to spin-glass behavior of a small concentration of isolated impurity copper moments. At higher temperatures, we observe contributions to the specific heat that can be attributed to a soft-phonon mode, possibly associated with the superstructure in the Bi-O and Tl-O layers. From our single-crystal data, we conclude that the thallium- and bismuth-based copper oxide superconductors show no measurable linear term in the specific heat [γ(0)<=1 mJ/mole K2].

Magnetic dimers and trimers in the disordered S =3/2 spin system BaTi1/2Mn1/2O3

NASA Astrophysics Data System (ADS)

Garcia, F. A.; Kaneko, U. F.; Granado, E.; Sichelschmidt, J.; Hölzel, M.; Duque, J. G. S.; Nunes, C. A. J.; Amaral, R. P.; Marques-Ferreira, P.; Lora-Serrano, R.

2015-06-01

We report a structural-magnetic investigation by x-ray absorption spectroscopy (XAS), neutron diffraction, dc susceptibility (χdc), and electron spin resonance (ESR) of the 12R-type perovskite BaTi1/2Mn1/2O3 . Our structural analysis by neutron diffraction supports the existence of structural trimers with chemically disordered occupancy of Mn4+ and Ti4+ ions, with the valence of the Mn ions confirmed by the XAS measurements. The magnetic properties are explored by combining dc-susceptibility and X -band (9.4 GHz) electron spin resonance, both in the temperature interval of 2 ≤T ≤1000 K. A scenario is presented under which the magnetism is explained by considering magnetic dimers and trimers, with exchange constants Ja/kB=200 (2 ) K and Jb/kB=130 (10 ) K, and orphan spins. Thus, BaTi1/2Mn1/2O3 is proposed as a rare case of an intrinsically disordered S =3/2 spin gap system with a frustrated ground state.

Rb-NMR study of the quasi-one-dimensional competing spin-chain compound R b2C u2M o3O12

NASA Astrophysics Data System (ADS)

Matsui, Kazuki; Yagi, Ayato; Hoshino, Yukihiro; Atarashi, Sochiro; Hase, Masashi; Sasaki, Takahiko; Goto, Takayuki

2017-12-01

A Rb-NMR study has been performed on the quasi-one-dimensional competing spin chain R b2C u2M o3O12 with ferromagnetic and antiferromagnetic exchange interactions on nearest-neighboring and next-nearest neighboring spins, respectively. The system changes from a gapped ground state at zero field to a gapless state at HC≃2 T , where the existence of magnetic order below 1 K was demonstrated by a broadening of the NMR spectrum, associated with a critical divergence of 1 /T1 . In the higher-temperature region, T1-1 showed a power-law-type temperature dependence, from which the field dependence of the Luttinger parameter K was obtained and compared with theoretical calculations based on the spin nematic Tomonaga-Luttinger liquid (TLL) state.

Improved charging performance of Li-O2 batteries by forming Ba-incorporated Li2O2 as the discharge product

NASA Astrophysics Data System (ADS)

Matsuda, Shoichi; Uosaki, Kohei; Nakanishi, Shuji

2017-06-01

Although Li-O2 batteries can potentially achieve greater than two-fold higher energy densities than Li-ion batteries, the basic performance of Li-O2 batteries remains poor. In particular, the large over-potential of positive electrode reactions during the charging process results in low round-trip energy efficiency and limited cycle life, and is therefore the main barrier to the practical use of rechargeable Li-O2 batteries. In the present study, we demonstrate that the charging performance of Li-O2 batteries can be significantly improved by simply adding barium (Ba) ions into the electrolyte. Elemental analysis revealed that Ba-incorporated Li2O2 was obtained as the main discharge product of a Li-O2 cell operated in the presence of Ba2+. Notably, the improvement of charging performance was confirmed to originate from the Ba-incorporated Li2O2 deposits, rather than the Ba2+ present in the electrolyte. The present results suggest that the incorporation of heteroatoms into the discharge product is an effective approach for improving the charging performance of Li-O2 batteries.

Positron trapping in Y1-xPrxBa2Cu3O7-δ and the Fermi surface of YBa2Cu3O7-δ

NASA Astrophysics Data System (ADS)

Shukla, A.; Hoffmann, L.; Manuel, A. A.; Walker, E.; Barbiellini, B.; Peter, M.

1995-03-01

Temperature-dependent positron lifetime measurements in ceramic Y1-xPrxBa2Cu3O7-δ samples reveal positron trapping, in particular at low temperature and for small x. Positrons appear to be completely delocalized for T~400 K and higher. At high temperatures the lifetime for YBa2Cu3O7-δ and PrBa2Cu3O7-δ is identical (~165 ps) and close to the theoretical value. For these reasons a two-dimensional angular correlation of annihilation radiation (2D-ACAR) spectrum was measured in YBa2Cu3O7 at T=400 K. The spectrum width confirms the delocalization of the positron and the 2D-ACAR shows, apart from the one-dimensional Fermi surface due to CuO chains, a smaller Fermi surface sheet centered around the S point, in the first Brillouin zone.

Electronic structure of the gold/Bi2Sr2CaCu2O8 and gold/EuBa2Cu3O7 - delta interfaces as studied by photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Dessau, D. S.; Shen, Z.-X.; Wells, B. O.; Spicer, W. E.; List, R. S.; Arko, A. J.; Bartlett, R. J.; Fisk, Z.; Cheong, S.-W.; Mitzi, D. B.; Kapitulnik, A.; Schirber, J. E.

1990-07-01

High-resolution photoemission has been used to probe the electronic structure of the gold/Bi2Sr2CaCu2O8 and gold/EuBa2Cu3O7-δ interface formed by a low-temperature (20 K) gold evaporation on cleaved high quality single crystals. We find that the metallicity of the EuBa2Cu3O7-δ substrate in the near surface region (˜5 Å) is essentially destroyed by the gold deposition, while the near surface region of Bi2Sr2CaCu2O8 remains metallic. This has potentially wide ranging consequences for the applicability of the different types of superconductors in real devices.

Preparation of TlBa2Ca2Cu3O9±δ high Tc thin films by laser ablation in combination with thermal evaporation of thallium oxide

NASA Astrophysics Data System (ADS)

Piehler, A.; Löw, R.; Betz, J.; Schönberger, R.; Renk, K. F.

1993-11-01

TlBa2Ca2Cu3O9±δ high Tc thin films were prepared on MgO <100> surfaces by a combination of laser ablation from a stoichiometric Ba2Ca2Cu3Ox target and the thermal evaporation of thallium oxide. X-ray diffraction measurements showed that the films consisted of predominantly c axis oriented TlBa2Ca2Cu3O9±δ, and scanning electron microscopy revealed that the surfaces had a flat, platelike morphology. The ac inductive measurements indicated that the onset of superconductivity occurred at 117 K with a transition width (10%-90%) of ˜3 K. Zero resistivity was reached at 120 K. The critical current density was ˜3×104 A/cm2 at 110 K.

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

PubMed

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

2008-05-20

The cubic perovskite BaRuO(3) has been synthesized under 18 GPa at 1,000 degrees C. Rietveld refinement indicates that the new compound has a stretched Ru-O bond. The cubic perovskite BaRuO(3) remains metallic to 4 K and exhibits a ferromagnetic transition at T(c) = 60 K, which is significantly lower than the T(c) approximately = 160 K for SrRuO(3). The availability of cubic perovskite BaRuO(3) not only makes it possible to map out the evolution of magnetism in the whole series of ARuO(3) (A = Ca, Sr, Ba) as a function of the ionic size of the A-site r(A,) but also completes the polytypes of BaRuO(3). Extension of the plot of T(c) versus r(A) in perovskites ARuO(3) (A = Ca, Sr, Ba) shows that T(c) does not increase as the cubic structure is approached, but has a maximum for orthorhombic SrRuO(3). Suppressing T(c) by Ca and Ba doping in SrRuO(3) is distinguished by sharply different magnetic susceptibilities chi(T) of the paramagnetic phase. This distinction has been interpreted in the context of a Griffiths' phase on the (Ca Sr)RuO(3) side and bandwidth broadening on the (Sr,Ba)RuO(3) side.

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

A new oxytelluride: Perovskite and CsCl intergrowth in Ba 3Yb 2O 5Te

DOE PAGES

Whalen, J. B.; Besara, T.; Vasquez, R.; ...

2013-04-27

The new oxytelluride Ba 3Yb 2O 5Te was obtained from an alkaline earth flux. Ba3Yb2O5Te crystallizes in the tetragonal space group P4/ mmm (#123), with a=4.3615(3) Å and c=11.7596(11) angstrom, Z=1. The structure combines two distinct building blocks, a Ba 2Yb 2O 5 perovskite-like double layer with square bipyramidal coordination of the ytterbium ions, and a CsCl-type BaTe layer. Short range magnetic order is apparent at below 5 K, with the magnetic behavior above this temperature dominated by crystal field effects. The structure may be considered as an analog to the Ruddlesden-Popper phases, where the NaCl-type layer has been replacedmore » by the CsCl-type layer. Finally, the two-dimensional magnetic behavior is expected based on the highly anisotropic nature of the structure.« less

Evidence for filamentary superconductivity up to 220 K in oriented multiphase Y-Ba-Cu-O thin films

NASA Astrophysics Data System (ADS)

Schönberger, R.; Otto, H. H.; Brunner, B.; Renk, K. F.

1991-02-01

We report on the observation of filamentary superconductivity up to 220 K in multiphase Y-Ba-Cu-O materials that are deposited as highly oriented thin films on (110)-SrTiO 3 substrates by laser ablation from ceramic targets. The high temperature zero resistivity states are reproducible after temperature cycling down to 80 K for samples treated by a special oxygenation and ozonization process at 340 K and measured in a pure oxygen atmosphere. Our results on thin films confirm former experiments of J.T. Chen and co-workers obtained on ceramic samples with preferred crystallite orientation. A close connection between superconductivity and structural instabilities of most likely ferroic nature, which are observed more often for YBa 2Cu 3O 7 in a narrow temperature range near 220 K, is suggested.

Formation of qualified BaHfO3 doped Y0.5Gd0.5Ba2Cu3O7-δ film on CeO2 buffered IBAD-MgO tape by self-seeding pulsed laser deposition

NASA Astrophysics Data System (ADS)

Liu, Linfei; Wang, Wei; Yao, Yanjie; Wu, Xiang; Lu, Saidan; Li, Yijie

2018-05-01

Improvement in the in-filed transport properties of REBa2Cu3O7-δ (RE = rare earth elements, REBCO) coated conductor is needed to meet the performance requirements for various practical applications, which can be accomplished by introducing artificial pinning centers (APCs), such as second phase dopant. However, with increasing dopant level the critical current density Jc at 77 K in zero applied magnetic field decreases. In this paper, in order to improve Jc we propose a seed layer technique. 5 mol% BaHfO3 (BHO) doped Y0.5Gd0.5Ba2Cu3O7-δ (YGBCO) epilayer with an inserted seed layer was grown on CeO2 buffered ion beam assisted deposition MgO (IBAD-MgO) tape by pulsed laser deposition. The effect of the conditions employed to prepare the seed layer, including tape moving speed and chemical composition, on the quality of 5 mol% BHO doped YGBCO epilayer was systematically investigated by X-ray diffraction (XRD) measurements and scanning electron microscopy (SEM) observations. It was found that all the samples with seed layer have higher Jc (77 K, self-field) than the 5 mol% BHO doped YGBCO film without seed layer. The seed layer could inhibit deterioration of the Jc at 77 K and self-filed. Especially, the self-seed layer (5 mol% BHO doped YGBCO seed layer) was more effective in improving the crystal quality, surface morphology and superconducting performance. At 4.2 K, the 5 mol% BHO doped YGBCO film with 4 nm thick self-seed layer had a very high flux pinning force density Fp of 860 GN/m3 for B//c under a 9 T field, and more importantly, the peak of the Fp curve was not observed.

Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior

NASA Astrophysics Data System (ADS)

Allieta, M.; Scavini, M.; Lo Presti, L.; Coduri, M.; Loconte, L.; Cappelli, S.; Oliva, C.; Ghigna, P.; Pattison, P.; Scagnoli, V.

2013-12-01

We present a detailed study on the charge ordering transition in a GdBaCo2O5.0 system by combining high-resolution synchrotron powder/single-crystal diffraction with electron paramagnetic resonance experiments as a function of temperature. We found a second-order structural phase transition at TCO = 247 K (Pmmm to Pmma) associated with the onset of long-range charge ordering. At Tmin ≈ 1.2TCO, the electron paramagnetic resonance linewidth rapidly broadens, providing evidence of antiferromagnetic spin fluctuations. This likely indicates that, analogously to manganites, the long-range antiferromagnetic order in GdBaCo2O5.0 sets in at ≈TCO. Pair distribution function analysis of diffraction data revealed signatures of structural inhomogeneities at low temperature. By comparing the average and local bond valences, we found that above TCO the local structure is consistent with a fully random occupation of Co2+ and Co3+ in a 1:1 ratio and with a complete charge ordering below TCO. Below T ≈ 100 K the charge localization is partially melted at the local scale, suggesting a reentrant behavior of charge ordering. This result is supported by the weakening of superstructure reflections and the temperature evolution of electron paramagnetic resonance linewidth that is consistent with paramagnetic reentrant behavior reported in the GdBaCo2O5.5 parent compound.

Spin-liquid ground state in the frustrated J 1 - J 2 zigzag chain system BaTb 2 O 4

DOE PAGES

Aczel, A. A.; Li, L.; Garlea, V. O.; ...

2015-07-13

We have investigated polycrystalline samples of the zigzag chain system BaTb 2O 4 with magnetic susceptibility, heat capacity, neutron powder diffraction, and muon spin relaxation measurements. No magnetic transitions are observed in the bulk measurements, while neutron diffraction reveals low-temperature, short-range, intrachain magnetic correlations between Tb 3+ ions. Muon spin relaxation measurements indicate that these correlations are dynamic, as the technique detects no signatures of static magnetism down to 0.095 K. Altogether these findings provide strong evidence for a spin liquid ground state in BaTb 2O 4.

Upper critical field of high temperature Y(1.2)Ba(0.8)CuO(4-delta) superconductor

NASA Technical Reports Server (NTRS)

Hor, P. H.; Meng, R. L.; Huang, J. Z.; Chu, C. W.; Huang, C. Y.

1987-01-01

A 20-T high-field magnet is used to measure electrical resistance as a function of temperature in the Y(1.2)Ba(0.8)CuO(4-delta) superconductor. The temperature dependence of the critical field, Hc2(T), is obtained from the superconduction transition. A Hc2(O) value of 166T is determined which is the highest critical field yet reported. Results show Y(1.2)Ba(0.8)CuO(4-delta) to be a 90K Type-II superconductor, with a lower critical field Hc1(O) of about 0.2T and a penetration depth of about 290 A.

Dielectric performance of high permitivity nanocomposites: impact of polystyrene grafting on BaTiO 3 and TiO 2

DOE PAGES

Grabowski, Christopher A.; Fillery, Scott P.; Koerner, Hilmar; ...

2016-09-22

Polymer nanocomposites are a promising concept to improve energy storage density of capacitors, but realizing their hypothetical gains has proved challenging. The introduction of high permittivity fillers often leads to reduction in breakdown strength due to field exclusion, which intensifies the applied electric field within the polymer matrix near nanoparticle interfaces. This has prompted research in developing new nanoparticle functionalization chemistries and processing concepts to maximize particle separation. Herein, we compare the dielectric performance of blended nanocomposites to matrix free assemblies of hairy (polymer-grafted) nanoparticles (HNPs) that exhibit comparable overall morphology. The dielectric breakdown strength of polystyrene-grafted BaTiO3 (PS@BaTiO3) systemsmore » was over 40% greater than a blended nanocomposite with similar loading (~25% v/v BaTiO3). Hairy nanoparticles with TiO2 cores followed similar trends in breakdown strength as a function of inorganic loading up to 40% v/v. Dielectric loss for PS@BaTiO3 HNPs was 2-5 times lower than analogous blended films for a wide frequency spectrum (1 Hz to 100 kHz). For BaTiO3 content above 7% v/v, grafting the polymer chains to the nanoparticle significantly improved energy storage density and efficiency, likely due to the polymer canopy mitigating interfacial transport and restricting particle-particle hot-spots by establishing a finite minimum particle separation.« less

Dielectric performance of high permitivity nanocomposites: impact of polystyrene grafting on BaTiO 3 and TiO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grabowski, Christopher A.; Fillery, Scott P.; Koerner, Hilmar

Polymer nanocomposites are a promising concept to improve energy storage density of capacitors, but realizing their hypothetical gains has proved challenging. The introduction of high permittivity fillers often leads to reduction in breakdown strength due to field exclusion, which intensifies the applied electric field within the polymer matrix near nanoparticle interfaces. This has prompted research in developing new nanoparticle functionalization chemistries and processing concepts to maximize particle separation. Herein, we compare the dielectric performance of blended nanocomposites to matrix free assemblies of hairy (polymer-grafted) nanoparticles (HNPs) that exhibit comparable overall morphology. The dielectric breakdown strength of polystyrene-grafted BaTiO3 (PS@BaTiO3) systemsmore » was over 40% greater than a blended nanocomposite with similar loading (~25% v/v BaTiO3). Hairy nanoparticles with TiO2 cores followed similar trends in breakdown strength as a function of inorganic loading up to 40% v/v. Dielectric loss for PS@BaTiO3 HNPs was 2-5 times lower than analogous blended films for a wide frequency spectrum (1 Hz to 100 kHz). For BaTiO3 content above 7% v/v, grafting the polymer chains to the nanoparticle significantly improved energy storage density and efficiency, likely due to the polymer canopy mitigating interfacial transport and restricting particle-particle hot-spots by establishing a finite minimum particle separation.« less

Thermodynamic properties of ternary oxides in the system Ba-Fe-O using solid-state electrochemical cells with oxide and fluoride ion conducting electrolytes

NASA Astrophysics Data System (ADS)

Rakshit, S. K.; Parida, S. C.; Singh, Ziley; Prasad, R.; Venugopal, V.

2004-04-01

The standard molar Gibbs energy of formations of BaFe 12O 19(s), BaFe 2O 4(s), Ba 2Fe 2O 5(s), Ba 3Fe 2O 6(s) and Ba 5Fe 2O 8(s) have been determined using solid-state electrochemical technique employing CaF 2(s) as an electrolyte. The reversible e.m.f. values have been measured in the temperature range from 970 to 1151 K. The oxygen chemical potential corresponding to three phase equilibria involving technologically important compound BaFe 12O 19(s) has been determined using solid-state electrochemical technique employing CSZ as an electrolyte from 1048 to 1221 K. The values of Δ fGm0( T) for the above ternary oxides are given by ΔfG m0( BaFe12O19, s)/ kJ mol -1(±0.6)=-5431.3+1.5317 (T/ K) (970⩽T/ K⩽1151) ΔfG m0( BaFe2O4, s)/ kJ mol -1(±1.3)=-1461.4+0.3745 (T/ K) (970⩽T/ K⩽1151) ΔfG m0( Ba2Fe2O5, s)/ kJ mol -1(±1.4)=-2038.3+0.4433 (T/ K) (970⩽T/ K⩽1149) ΔfG m0( Ba3Fe2O6, s)/ kJ mol -1(±1.5)=-2700.1+0.6090 (T/ K) (969⩽T/ K⩽1150) and ΔfG m0( Ba5Fe2O8, s)/ kJ mol -1(±1.6)=-3984.1+0.9300 (T/ K) (973⩽T/ K⩽1150) The uncertainty estimates for Δ fGm0 includes the standard deviation in the e.m.f. and uncertainty in the data taken from the literature. An isothermal oxygen potential diagram for the system Ba-Fe-O was constructed at 1100 K based on the thermodynamic data obtained in this study.

Phase diagram, chemical stability and physical properties of the solid-solution Ba{sub 4}Nb{sub 2-x}Ta{sub x}O{sub 9}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunstan, Matthew T., E-mail: m.dunstan@chem.usyd.edu.au; Southon, Peter D.; Kepert, Cameron J.

Through the construction of the Ba{sub 4}Nb{sub 2-x}Ta{sub x}O{sub 9} phase diagram, it was discovered that the unique high-temperature {gamma} phase is a thermodynamic intermediate between the low-temperature {alpha} phase (Sr{sub 4}Ru{sub 2}O{sub 9}-type) and a 6H-perovskite. Refined site occupancies for the {gamma} phase across the Ba{sub 4}Nb{sub 2-x}Ta{sub x}O{sub 9} solid-solution indicate that Nb preferentially occupies the tetrahedral sites over the octahedral sites in the structure. When annealed in a CO{sub 2}-rich atmosphere, all of the phases studied absorb large amounts of CO{sub 2} at high temperatures between {approx}700 and 1300 K. In situ controlled-atmosphere diffraction studies show thatmore » this behaviour is linked to the formation of BaCO{sub 3} on the surface of the material, accompanied by a Ba{sub 5}(Nb,Ta){sub 4}O{sub 15} impurity phase. In situ diffraction in humid atmospheres also confirms that these materials hydrate below {approx}1273K, and that this plays a critical role in the various reconstructive phase transitions as well as giving rise to proton conduction. - Graphical abstract: Thermodynamic phase diagram of Ba{sub 4}Nb{sub 2-x}Ta{sub x}O{sub 9}. Highlights: > {gamma}-Ba{sub 4}Nb{sub 2}O{sub 9} phase is a structural intermediate between the {alpha} and 6H-perovskite phases. > Ba{sub 4}Nb{sub 2}O{sub 9} and Ba{sub 4}Ta{sub 2}O{sub 9} decompose at high temperatures in the presence of CO{sub 2}. > These materials all absorb between 5% and 6% of CO{sub 2} by mass between {approx}800 and 1200 K.« less

Phase equilibria, crystal structure and oxygen content of intermediate phases in the Y-Ba-Co-O system

NASA Astrophysics Data System (ADS)

Urusova, A. S.; Cherepanov, V. A.; Aksenova, T. V.; Gavrilova, L. Ya.; Kiselev, E. A.

2013-06-01

The phase equilibria in the Y-Ba-Co-O system were systematically studied at 1373 K in air. The intermediate phases formed in the Y-Ba-Co-O system at 1373 K in air were: YBaCo2O5+δ, YBaCo4O7 and BaCo1-yYyO3-δ (0.09≤y≤0.42). It was shown that YBaCo2O5+δ possesses tetragonal structure with the 3ap×3ap×2ap superstructure (sp. gr. P4/mmm). High-temperature X-ray diffraction analysis of the YBaCo2O5+δ in the temperature range from 298 K up to 1073 K under Po2=0.21 аtm has not shown any phase transformations. The value of oxygen content for the YBaCo2O5+δ at room temperature was estimated as 5.40 and at 1323 K it was equal to 5.04. Thermal expansion of sample shows a linear characteristics and the average thermal expansion coefficient (TEC) is about 13.8×10-6, K-1 in the temperature range 298-1273 K. The homogeneity range and crystal structure of the BaCo1-yYyO3-δ (0.09≤y≤0.42) solid solutions were determined by X-ray diffraction of quenched samples. All BaCo1-yYyO3-δ solid solutions were found to have cubic structure (sp. gr. Pm3m). The unit cell parameters were refined using Rietveld full-profile analysis. Oxygen nonstoichiometry of BaCo1-yYyO3-δ solid solutions with 0.1≤y≤0.4 was measured by means of thermogravimetric technique within the temperature range 298-1373 K in air. Thermal expansion of BaCo1-yYyO3-δ (у=0.0; 0.1; 0.2; 0.3) samples was studied within the temperature range 298-1200 K in air. The projection of isothermal-isobaric phase diagram for the Y-Ba-Co-O system to the compositional triangle of metallic components was presented.

Acousto-optic interaction in alpha-BaB(2)O(4)and Li(2)B(4)O(7) crystals.

PubMed

Martynyuk-Lototska, Irina; Mys, Oksana; Dudok, Taras; Adamiv, Volodymyr; Smirnov, Yevgen; Vlokh, Rostyslav

2008-07-01

Experimental studies and analysis of acousto-optic diffraction in alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals are given. Ultrasonic wave velocity, elastic compliance and stiffness coefficients, and piezo-optic and photoelastic coefficients of alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals are determined. The acousto-optic figure of merit has been estimated for different possible geometries of acousto-optic interaction. It is shown that the acousto-optic figures of merit for alpha-BaB(2)O(4) crystals reach the value M(2)=(270 +/- 70) x 10(-15) s(3)/kg for the case of interaction with the slowest ultrasonic wave. The directions of propagation and polarization of those acoustic waves are obtained on the basis of construction of acoustic slowness surfaces. The acousto-optic diffraction is experimentally studied for alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals.

Hydrothermal crystal growth of ABe 2BO 3F 2 (A=K, Rb, Cs, Tl) NLO crystals

NASA Astrophysics Data System (ADS)

McMillen, Colin D.; Kolis, Joseph W.

2008-04-01

Crystals of a family of compounds, ABe 2BO 3F 2 (ABBF, A=K, Rb, Cs, Tl), have been grown hydrothermally. Each of these materials was studied using the powder SHG technique and exhibited promising NLO behavior. Seeded crystal growth was demonstrated and the growth conditions were optimized by modifying the temperature, thermal gradient and mineralizer concentration. RbBe 2BO 3F 2 crystals possessed a particularly good combination of SHG intensity, favorable crystal habit and fast growth rates. High quality crystals suitable for advanced deep-UV NLO studies were grown at rates of 0.11 mm/day on (0 0 1) and 0.12 mm/day perpendicular to (0 0 1).

Coexisting charge and magnetic orders in the dimer-chain iridate Ba 5AlIr 2O 11

DOE PAGES

Terzic, J.; Wang, J. C.; Ye, Feng; ...

2015-06-29

In this paper, we have synthesized and studied single-crystal Ba 5AlIr 2O 11 that features dimer chains of two inequivalent octahedra occupied by tetravalent Ir 4+(5d 5) and pentavalent Ir 5+(5d 4) ions, respectively. Ba 5AlIr 2O 11 is a Mott insulator that undergoes a subtle structural phase transition near T S=210K and a magnetic transition at T M=4.5K; the latter transition is surprisingly resistant to applied magnetic fields μ oH≤12T but more sensitive to modest applied pressure (dT M/dp ≈ +0.61K/GPa). All results indicate that the phase transition at T S signals an enhanced charge order that induces electricalmore » dipoles and strong dielectric response near T S. It is clear that the strong covalency and spin-orbit interaction (SOI) suppress double exchange in Ir dimers and stabilize a novel magnetic state that is neither S=3/2 nor J=1/2, but rather lies in an “intermediate” regime between these two states. Finally, the novel behavior of Ba 5AlIr 2O 11 therefore provides unique insights into the physics of SOI along with strong covalency in competition with double-exchange interactions of comparable strength.« less

Electron transport and thermoelectric properties of layered perovskite LaBaCo(2)O(5.5).

PubMed

Kundu, Asish K; Raveau, B; Caignaert, V; Rautama, E-L; Pralong, V

2009-02-04

We have investigated systematically the physical transport properties of layered 112-type cobaltite by means of electrical resistivity, magnetoresistance and thermopower measurements. In order to understand the complex transport mechanism of LaBaCo(2)O(5.5), the data have been analysed using different theoretical models. The compound shows an electronic transition between two semiconducting states around 326 K, which coincides with the ferromagnetic transition. Interestingly, the system also depicts a significant magnetoresistance (MR) effect near the ferro/antiferromagnetic phase boundary and the highest value of MR is close to 5% at 245 K under ± 7 T. The temperature dependence of thermopower, S(T), exhibits p-type conductivity in the 60 K≤T≤320 K range and reaches a maximum value of around 303 µV K(-1) (at 120 K). In the low temperature antiferromagnetic region the unusual S(T) behaviour, generally observed for the cobaltite series LnBaCo(2)O(5.5) (Ln = rare earth), is explained by the electron magnon scattering mechanism.

Impedance and AC conductivity studies of Sm3+ substituted 0.8Ba0.2(Bi0.5K0.5)TiO3 lead free ceramics

NASA Astrophysics Data System (ADS)

Sastry, C. V. S. S.; Ramesh, M. N. V.; Ramesh, K. V.

2017-07-01

Samarium substituted 0.8Ba0.2(Bi0.5K0.5)TiO3 (here after abbreviated as BTBKT-20) lead free ceramics with composition 0.8Ba0.2(Bi0.5(1-x)Sm0.5xK0.5)TiO3 (where x=0.01,0.03,0.05) lead free ceramics have been prepared by solid state reaction and followed by high energy ball milling process. The present paper focuses the impedance and ac conductivity studies of Sm substituted BTBKT-20 lead free ceramics. Impedance spectroscopic studies revealthat temperature dependent relaxation process. Single depressed semi circle was observed in Cole-Cole plots, indicates non-Debye kind of relaxation process. Maximum grain resistance was observed for x=0.03 Sm substituted BTBKT-20 sample. Frequency and temperature dependent AC conductivity was calculated and it found to obey the universal Jonscher's power law and the values of activation energies suggest that conduction is ionic in nature.

Rich structural chemistry in new alkali metal yttrium tellurites: three-dimensional frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a novel variant of hexagonal tungsten bronze, CsYTe3O8.

PubMed

Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min

2015-01-05

Pure polycrystalline phases and single crystals of four new quaternary alkali metal yttrium tellurites, NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and CsYTe3O8, have been prepared by solid-state and hydrothermal reactions using A2CO3 (A = Na, K, Rb, and Cs), Y(NO3)3·6H2O, Y2O3, and TeO2 as starting reagents. X-ray diffraction analyses suggest that NaYTe4O10 exhibits a highly symmetric three-dimensional (3D) framework consisting of YO8 square antiprisms and chains of TeO4 polyhedra. Within the framework, six- (6-) and eight-membered ring (8-MR) channels are observed. KY(TeO3)2 and RbY(TeO3)2 are isostructural to each other and reveal another 3D framework with structures containing YO6 octahedra and TeO3 trigonal pyramids with 4-MR and 12-MR channels. CsYTe3O8 shows a hexagonal tungsten bronze (HTB)-like topology composed of hexagonal tungsten oxide-like layers of TeO4 polyhedra and YO6 octahedral linkers with 3-MR and 6-MR channels. Thermal analyses, elemental analyses, and spectroscopic characterizations, such as UV-vis diffuse reflectance and infrared spectra, are presented, as are local dipole moment calculations for the constituent asymmetric polyhedra TeO3 and TeO4.

Multiferroicity in the generic easy-plane triangular lattice antiferromagnet RbFe(MoO4)2

NASA Astrophysics Data System (ADS)

White, J. S.; Niedermayer, Ch.; Gasparovic, G.; Broholm, C.; Park, J. M. S.; Shapiro, A. Ya.; Demianets, L. A.; Kenzelmann, M.

2013-08-01

RbFe(MoO4)2 is a quasi-two-dimensional (quasi-2D) triangular lattice antiferromagnet (TLA) that displays a zero-field magnetically driven multiferroic phase with a chiral spin structure. By inelastic neutron scattering, we determine quantitatively the spin Hamiltonian. We show that the easy-plane anisotropy is nearly 1/3 of the dominant spin exchange, making RbFe(MoO4)2 an excellent system for studying the physics of the model 2D easy-plane TLA. Our measurements demonstrate magnetic-field-induced fluctuations in this material to stabilize the generic finite-field phases of the 2D XY TLA. We further explain how Dzyaloshinskii-Moriya interactions can generate ferroelectricity only in the zero-field phase. Our conclusion is that multiferroicity in RbFe(MoO4)2, and its absence at high fields, results from the generic properties of the 2D XY TLA.

Transport properties of layered Ba(Pb,Bi)O3 thin films

NASA Astrophysics Data System (ADS)

Hassink, G. W. J.; Munakata, K.; Hammond, R. H.; Beasley, M. R.

2012-02-01

Doped BaBiO3 is a 3D oxide superconductor with a maximum Tc of 30 K for Ba0.6K0.4BiO3. There has been a lot of discussion on whether this high Tc can be explained purely by electron-phonon coupling with a high coupling constant λ. In addition, the presence of real-space paired 6s^2 electrons in the parent compound raise intriguing questions about whether there is an electron-electron coupling interaction as well. This possible negative-U interaction might be used to implement the suggestion by Berg, Orgad and Kivelson [Phys.Rev.B 78, 094509] that for a two-layer system where one layer provides electron pairing interaction and the other layer is conducting, the whole can be superconducting with a high Tc. Here we discuss the transport properties of BaPbO3/BaBiO3 bilayers, where the BaBiO3 layer is thought to act as the pairing layer, while the BaPbO3 acts as the conducting layer. The transport behavior changes to insulating upon decreasing the metallic BaPbO3 layer thickness at values that single films are expected to still be metallic.

Thin films sputtered from Ba{sub 2}NdFeNb{sub 4}O{sub 15} multiferroic targets on BaFe{sub 12}O{sub 19} coated substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bodeux, Romain; Univ. Bordeaux, ICMCB, UPR 9048, F-33600 Pessac; Michau, Dominique, E-mail: dominique.michau@icmcb.cnrs.fr

2016-09-15

Highlights: • Synthesis of Ba{sub 2}NdFeNb{sub 4}O{sub 15}/BaFe{sub 12}O{sub 19} (BaM) heterostructures by RF magnetron sputtering. • Growth of TTB layer were retained regardless of the underlayer (Pt bottom electrode or BaM). • Dielectric and magnetic properties were obtained from the Pt/TTB/BaM/Pt stacks. - Abstract: Ba{sub 2}NdFeNb{sub 4}O{sub 15} tetragonal tungsten bronze (TTB)/BaFe{sub 12}O{sub 19} (BaM) hexaferrite bilayers have been grown by RF magnetron sputtering on Pt/TiO{sub 2}/SiO{sub 2}/Si (PtS) substrates. The BaM layer is textured along (0 0 1) while the TTB layer is multioriented regardless of the PtS or BaM/PtS substrate. Dielectric properties of TTB films are similarmore » to those of bulk, i.e., ε ∼ 150 and a magnetic hysteresis loop is obtained from TTB/BaM bilayers, thanks to the BaM component. This demonstrates the possibility of transferring to 2 dimensional structures the composite multiferroic system TTB/BaM previously identified in 3 dimensional bulk ceramics.« less

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.

Liquidus Diagram of the Ba-Y-Cu-O System in the Vicinity of the Ba2YCu3O6+x Phase Field

PubMed Central

Wong-Ng, Winnie; Cook, Lawrence P.

1998-01-01

This paper describes the melting equilibria in the vicinity of the high Tc phase Ba2YCu3O6+x, including evidence for two Ba-Y-Cu-O immiscible liquids. Melting equilibria have been investigated in purified air using a combination of differential thermal analysis (DTA), thermogravimetric analysis (TGA), powder x-ray diffraction (XRD), MgO wick entrapment of liquid for analysis, scanning electron microscopy (SEM) coupled with energy dispersive x-ray analysis (EDS), and hydrogen reduction for determination of copper oxidation state. For relatively barium-rich compositions, it was necessary to prepare the starting materials under controlled atmosphere conditions using BaO. A liquidus diagram was derived from quantitative data for the melts involved in various melting reactions. In general the 1/2(Y2O3) contents of the melts participating in these equilibria were low (mole fraction <4 %). The primary phase field of Ba2YCu3O6+x occurs at a mole fraction of <2.0 % 1/2Y2O3 and lies very close along the BaO-CuOx edge, extending from a mole fraction of ≈43 % CuO to a mole fraction of ≈76 % CuO. It is divided by a liquid miscibility gap and extends on either side about this gap. The topological sequence of melting reactions associated with the liquidus is presented as a function of temperature. Implications for the growth of Ba2YCu3O6+x crystals are discussed. PMID:28009382

Martinandresite, Ba2(Al4Si12O32)·10H2O, a new zeolite from Wasenalp, Switzerland

NASA Astrophysics Data System (ADS)

Chukanov, Nikita V.; Zubkova, Natalia V.; Meisser, Nicolas; Ansermet, Stefan; Weiss, Stefan; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Vozchikova, Svetlana A.; Britvin, Sergey N.; Pushcharovsky, Dmitry Yu.

2017-12-01

The new zeolite martinandresite, ideally Ba2(Al4Si12O32)·10H2O, was discovered in the armenite locality of Wasenalp near the Isenwegg peak, Ganter valley, Simplon region, Switzerland. The associated minerals are armenite, quartz, dickite, and chlorite. Martinandresite forms tan-coloured blocky crystals up to 8 × 5 × 3.5 mm, their aggregates up to 6 cm across, as well as cruciform twins up to 3.5 mm. The major form is {010}; the subordinate forms are {100} and {001}. Indistinct cleavage is observed, presumably on (010) and in a direction across (010). The Mohs' hardness is 4½. Density measured by flotation in heavy liquids is 2.482(5) g/cm3. Density calculated using the empirical formula is equal to 2.495 g/cm3. Martinandresite is optically biaxial, negative, α = 1.500(2), β = 1.512(2), γ = 1.515(2) (λ = 589 nm). 2V (meas.) = 55(10)°. The IR spectrum is given. The chemical composition of martinandresite is (wt%; electron microprobe, H2O determined by the modified Penfield method): Na2O 0.37, K2O 0.12, BaO 21.55, Al2O3 15.03, SiO2 49.86, H2O 12.57, total 99.50. The empirical formula based on 16 atoms Si + Al pfu is Na0.17K0.04Ba2.00(Al4.19Si11.81O32)H19.85O9.93. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is orthorhombic, space group Pmmn, with a = 9.4640(5), b = 14.2288(6), c = 6.9940(4) Å, V = 941.82(8) Å3 and Z = 1. The crystal structure of martinandresite is unique and is based on the Al-Si-O tetrahedral framework containing four-, six- and eight-membered rings of tetrahedra. Si and Al are disordered between the two independent tetrahedral sites. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.98 (74) (001), 6.26 (83) (011), 5.61 (100) (101), 3.933 (60) (220, 031), 3.191 (50) (112), 3.170 (62) (041), 3.005 (79) (231, 141). Martinandresite is named after Martin Andres (b. 1965), the discoverer of the armenite locality of Wasenalp.

Martinandresite, Ba2(Al4Si12O32)·10H2O, a new zeolite from Wasenalp, Switzerland

NASA Astrophysics Data System (ADS)

Chukanov, Nikita V.; Zubkova, Natalia V.; Meisser, Nicolas; Ansermet, Stefan; Weiss, Stefan; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Vozchikova, Svetlana A.; Britvin, Sergey N.; Pushcharovsky, Dmitry Yu.

2018-06-01

The new zeolite martinandresite, ideally Ba2(Al4Si12O32)·10H2O, was discovered in the armenite locality of Wasenalp near the Isenwegg peak, Ganter valley, Simplon region, Switzerland. The associated minerals are armenite, quartz, dickite, and chlorite. Martinandresite forms tan-coloured blocky crystals up to 8 × 5 × 3.5 mm, their aggregates up to 6 cm across, as well as cruciform twins up to 3.5 mm. The major form is {010}; the subordinate forms are {100} and {001}. Indistinct cleavage is observed, presumably on (010) and in a direction across (010). The Mohs' hardness is 4½. Density measured by flotation in heavy liquids is 2.482(5) g/cm3. Density calculated using the empirical formula is equal to 2.495 g/cm3. Martinandresite is optically biaxial, negative, α = 1.500(2), β = 1.512(2), γ = 1.515(2) ( λ = 589 nm). 2 V (meas.) = 55(10)°. The IR spectrum is given. The chemical composition of martinandresite is (wt%; electron microprobe, H2O determined by the modified Penfield method): Na2O 0.37, K2O 0.12, BaO 21.55, Al2O3 15.03, SiO2 49.86, H2O 12.57, total 99.50. The empirical formula based on 16 atoms Si + Al pfu is Na0.17K0.04Ba2.00(Al4.19Si11.81O32)H19.85O9.93. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is orthorhombic, space group Pmmn, with a = 9.4640(5), b = 14.2288(6), c = 6.9940(4) Å, V = 941.82(8) Å3 and Z = 1. The crystal structure of martinandresite is unique and is based on the Al-Si-O tetrahedral framework containing four-, six- and eight-membered rings of tetrahedra. Si and Al are disordered between the two independent tetrahedral sites. The strongest lines of the powder X-ray diffraction pattern [ d, Å ( I, %) ( hkl)] are: 6.98 (74) (001), 6.26 (83) (011), 5.61 (100) (101), 3.933 (60) (220, 031), 3.191 (50) (112), 3.170 (62) (041), 3.005 (79) (231, 141). Martinandresite is named after Martin Andres (b. 1965), the discoverer of the armenite locality of Wasenalp.

Two-Magnon Scattering in Spin-Orbital Mott Insulator Ba2IrO4

NASA Astrophysics Data System (ADS)

Tsuda, Shunsuke; Okabe, Hirotaka; Isobe, Masaaki; Uji, Shinya

2016-02-01

A spin-orbit induced Mott insulator Ba2IrO4 with the pseudo-spin Jeff = 1/2, showing an antiferromagnetic order (TN = 240 K), has been investigated by Raman spectroscopy. A broad peak with the B1g symmetry is found in a wide temperature region up to 400 K, which is ascribed to the two-magnon scattering. From the peak position and width, the exchange coupling and the antiferromagnetic correlation length are estimated to be 590 cm-1 and 45 Å at 90 K, respectively. The results are compared with the antiferromagnet La2CuO4 with the spin S = 1/2. We conclude that there is no significant difference in the short wavelength spin-excitation between the S = 1/2 and Jeff = 1/2 systems.

Effects of sulfation level on the desulfation behavior of pre-sulfated Pt BaO/Al2O3 lean NOx trap catalysts: a combined H2 Temperature-Programmed Reaction, in-situ sulfur K-edge X-ray Absorption Near-Edge Spectroscopy, X-ray Photoelectron Spectroscopy, and Time-Resolved X-ray Diffraction Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Do Heui; Szanyi, Janos; Kwak, Ja Hun

2009-04-03

Desulfation by hydrogen of pre-sulfated Pt(2wt%) BaO(20wt%)/Al2O3 with various sulfur loading (S/Ba = 0.12, 0.31 and 0.62) were investigated by combining H2 temperature programmed reaction (TPRX), x-ray photoelectron spectroscopy (XPS), in-situ sulfur K-edge x-ray absorption near-edge spectroscopy (XANES), and synchrotron time-resolved x-ray diffraction (TR-XRD) techniques. We find that the amount of H2S desorbed during the desulfation in the H2 TPRX experiments is not proportional to the amount of initial sulfur loading. The results of both in-situ sulfur K-edge XANES and TR-XRD show that at low sulfur loadings, sulfates were transformed to a BaS phase and remained in the catalyst, rathermore » than being removed as H2S. On the other hand, when the deposited sulfur level exceeded a certain threshold (at least S/Ba = 0.31) sulfates were reduced to form H2S, and the relative amount of the residual sulfide species in the catalyst was much less than at low sulfur loading. Unlike samples with high sulfur loading (e.g., S/Ba = 0.62), H2O did not promote the desulfation for the sample with S/Ba of 0.12, implying that the formed BaS species originating from the reduction of sulfates at low sulfur loading are more stable to hydrolysis. The results of this combined spectroscopy investigation provide clear evidence to show that sulfates at low sulfur loadings are less likely to be removed as H2S and have a greater tendency to be transformed to BaS on the material, leading to the conclusion that desulfation behavior of Pt BaO/Al2O3 lean NOx trap catalysts is markedly dependent on the sulfation levels.« less

Manufacture of barium hexaferrite (BaO3.98Fe2O3) from iron oxide waste of grinding process by using calcination process

NASA Astrophysics Data System (ADS)

Idayanti, N.; Dedi; Kristiantoro, T.; Mulyadi, D.; Sudrajat, N.; Alam, G. F. N.

2018-03-01

The utilization of iron oxide waste of grinding process as raw materials for making barium hexaferrite has been completed by powder metallurgy method. The iron oxide waste was purified by roasting at 800 °C temperature for 3 hours. The method used varying calcination temperature at 1000, 1100, 1200, and 1250 °C for 3 hours. The starting iron oxide waste (Fe2O3) and barium carbonate (BaCO3) were prepared by mol ratio of Fe2O3:BaCO3 from the formula BaO3.98Fe2O3. Some additives such as calcium oxide (CaO), silicon dioxide (SiO2), and polyvinyl alcohol (PVA) were added after calcination process. The samples were formed at the pressure of 2 ton/cm2 and sintered at the temperature of 1250 °C for 1 hour. The formation of barium hexaferrite compounds after calcination is determined by X-Ray diffraction. The magnetic properties were observed by Permagraph-Magnet Physik with the optimum characteristic at calcination temperature of 1250 °C with the induction of remanence (Br) = 1.38 kG, coercivity (HcJ) = 4.533 kOe, product energy maximum (BHmax) = 1.086 MGOe, and density = 4.33 g/cm3.

Ultrafast dynamics of quasiparticles and coherent acoustic phonons in slightly underdoped (BaK)Fe2As2

PubMed Central

Lin, Kung-Hsuan; Wang, Kuan-Jen; Chang, Chung-Chieh; Wen, Yu-Chieh; Lv, Bing; Chu, Ching-Wu; Wu, Maw-Kuen

2016-01-01

We have utilized ultrafast optical spectroscopy to study carrier dynamics in slightly underdoped (BaK)Fe2As2 crystals without magnetic transition. The photoelastic signals due to coherent acoustic phonons have been quantitatively investigated. According to our temperature-dependent results, we found that the relaxation component of superconducting quasiparticles persisted from the superconducting state up to at least 70 K in the normal state. Our findings suggest that the pseudogaplike feature in the normal state is possibly the precursor of superconductivity. We also highlight that the pseudogap feature of K-doped BaFe2As2 is different from that of other iron-based superconductors, including Co-doped or P-doped BaFe2As2. PMID:27180873

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials.

PubMed

Jang, Seon-Min; Yang, Su Chul

2018-06-08

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO 2 epitaxial growth and BaTiO 3 conversion. Through the TiO 2 epitaxial growth on FTO substrate, (001) oriented TiO 2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO 2 NBA was conducted to enlarge the surface area for effective Ba 2+ ion diffusion during the perovskite conversion process from TiO 2 to BaTiO 3 . The final structure of perovskite BaTiO 3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO 3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials

NASA Astrophysics Data System (ADS)

Jang, Seon-Min; Yang, Su Chul

2018-06-01

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO2 epitaxial growth and BaTiO3 conversion. Through the TiO2 epitaxial growth on FTO substrate, (001) oriented TiO2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO2 NBA was conducted to enlarge the surface area for effective Ba2+ ion diffusion during the perovskite conversion process from TiO2 to BaTiO3. The final structure of perovskite BaTiO3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

A2TiF 5· nH 2O ( A=K, Rb, or Cs; n=0 or 1): Synthesis, structure, characterization, and calculations of three new uni-dimensional titanium fluorides

NASA Astrophysics Data System (ADS)

Jo, Vinna; Woo Lee, Dong; Koo, Hyun-Joo; Ok, Kang Min

2011-04-01

Three new uni-dimensional alkali metal titanium fluoride materials, A2TiF 5· nH 2O ( A=K, Rb, or Cs; n=0 or 1) have been synthesized by hydrothermal reactions. The structures of A2TiF 5· nH 2O have been determined by single-crystal X-ray diffraction. The Ti 4+ cations have been reduced to Ti 3+ during the synthesis reactions. All three A2TiF 5· nH 2O materials contain novel 1-D chain structures that are composed of the slightly distorted Ti 3+F 6 corner-sharing octahedra attributable to the Jahn-Teller distortion. The coordination environment of the alkali metal cations plays an important role to determine the degree of turning in the chain structures. Complete structural analyses, Infrared and UV-vis diffuse reflectance spectra, and thermal analyses are presented, as are electronic structure calculations.

Physical and optical studies of BaO-TeO2-TiO2-B2O3 glasses containing Cu2+ transition metal ion

NASA Astrophysics Data System (ADS)

Srinivas, B.; Kumar, R. Vijaya; Hameed, Abdul; Sagar, D. Karuna; Chary, M. Narasimha; Shareefuddin, Md.

2018-05-01

Glasses with the composition xBaO-(30-x) TeO2-10TiO2-59B2O3-1CuO (where x = 10, 15, 20 and 25 mole %) were prepared by melt quenching technique. The XRD studies were made on these glass samples at room temperature. The amorphous nature of the glass samples was confirmed from the XRD patterns. The physical parameters such as density (ρ), molar volume (Vm), average boron-boron separation (dB-B) and oxygen packing density (OPD) were calculated. The change in density and molar volume has been investigated in terms of the variation of BaO in the glass composition. The optical absorption spectra have been recorded at room temperature. The values of optical band gap have been estimated from the ASF and Tauc's methods. Both Tauc's and ASF methods have been showing progressively increasing indirect optical band gap values with the increase of BaO concentrations.

Synthesis and morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with tungsten bronze structure in RE{sub 2}O{sub 3}-BaO-Nb{sub 2}O{sub 5}-B{sub 2}O{sub 3} glasses (RE: Sm, Eu, Gd, Dy, Er)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ida, H.; Shinozaki, K.; Honma, T.

2012-12-15

Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze (TTB) structure are synthesized using a conventional glass crystallization technique in 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} (mol%) (RE=Sm, Eu, Gd, Dy, and Er) glasses. One sharp crystallization peak is observed at {approx}670 Degree-Sign C in both powdered and bulk glasses, and the formation of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with unit cell parameters of a{approx}1.24 nm and c{approx}0.39 nm was confirmed. It is found from high resolution transmission electron microscope observations that the morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals is ellipsoidal. Their average particlemore » size is in the range of 15-60 nm and decreases with decreasing ionic radius of RE{sup 3+} being present in the precursor glasses. The optical transparent crystallized glass (bulk) shows the total photoluminescence (PL) quantum yield of 53% in the visible region of Eu{sup 3+} ions, suggesting a high potential of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals as PL materials. - Graphical abstract: This figure shows a TEM photograph for the heat-treated (667 Degree-Sign C, 3 h) sample of 2.3Dy{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3}. An ellipsoidal-shaped Ba{sub 1-x}Dy{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystal with diameters of 17 and 28 nm is observed. The ellipsoidal morphology is a common feature in Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals synthesized by the crystallization of 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} glasses. Highlights: Black-Right-Pointing-Pointer Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze structure are synthesized. Black-Right-Pointing-Pointer A glass crystallization technique was applied. Black-Right-Pointing-Pointer The morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals

Microbial transformation of ginsenoside Rb1 to compound K by Lactobacillus paralimentarius.

PubMed

Quan, Lin-Hu; Kim, Yeon-Ju; Li, Guan Hao; Choi, Kwang-Tea; Yang, Deok-Chun

2013-06-01

In this study, the major ginsenoside Rb1 was transformed into the more pharmacologically active minor compound K by food grade Lactobacillus paralimentarius LH4, which was isolated from kimchi, a traditional Korean fermented food. The enzymatic reaction was analyzed by TLC, HPLC, and NMR. Using the cell-free enzyme of Lactobacillus paralimentarius LH4 at optimal conditions for 30 °C at pH 6.0, 1.0 mg ml(-1) ginsenoside Rb1 was transformed into 0.52 mg ml(-1) compound K within 72 h, with a corresponding molar conversion yield of 88 %. The cell-free enzyme hydrolyzed the two glucose moieties attached to the C-3 position and the outer glucose moiety attached to the C-20 position of the ginsenoside Rb1. The cell-free enzyme hydrolyzed the ginsenoside Rb1 along the following pathway: ginsenoside Rb1 → gypenoside XVII and ginsenoside Rd → ginsenoside F2 → compound K. Our results indicate that Lactobacillus paralimentarius LH4 has the potential to be applied for the preparation of compound K in the food industry.

Redetermination of clinobaryl-ite, BaBe(2)Si(2)O(7).

PubMed

Domizio, Adrien J Di; Downs, Robert T; Yang, Hexiong

2012-10-01

Clinobaryl-ite, ideally BaBe(2)Si(2)O(7) (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl-ite. It belongs to a group of compounds characterized by the general formula BaM(2+) (2)Si(2)O(7), with M(2+) = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl-ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl-ite can be considered as a framework of BeO(4) and SiO(4) tetra-hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO(4) tetra-hedra share corners, forming chains parallel to the c axis, which are inter-linked by the Si(2)O(7) units oriented parallel to the a axis. The Ba(2+) cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si-O(br) (bridging O atom, at site symmetry m..) bond length, the Si-O(nbr) (non-bridging O atoms) bond lengths, and the Si-O-Si angle within the Si(2)O(7) unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373-384].

Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F

NASA Astrophysics Data System (ADS)

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.

2016-09-01

Large single crystals of A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO4F2 building blocks. The A2Mn2V2O7F2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb2Mn2V2O7F2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs2Mn2V2O7F2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains of edge-sharing MnO4F2 units running along the a-axis, and interconnected through V2O7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn2+ indicated that Cs2Mn2V2O7F2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V-O vibrational modes in Cs2Mn2V2O7F2. Mn2(VO4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn2+. These interpenetrating chains are additionally connected through isolated VO4 tetrahedra to form the condensed structure.

Synthesis and characterization of new fluoride-containing manganese vanadates A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F

DOE PAGES

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; ...

2016-05-10

In large single crystals of A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F were grown using a high-temperature (~600 °C) hydrothermal technique. We utilized single crystal X-ray diffraction and powder X-ray diffraction in order to characterize the structures, which both possess MnO 4F 2 building blocks. The A 2Mn 2V 2O 7F 2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb 2Mn 2V 2O 7F 2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs 2Mn 2V 2O 7F 2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed ofmore » zigzag chains of edge-sharing MnO 4F 2 units running along the a-axis, and interconnected through V 2O 7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn 2+ indicated that Cs 2Mn 2V 2O 7F 2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs 2Mn 2V 2O 7F 2. Mn 2(VO 4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn 2+. Our interpenetrating chains are additionally connected through isolated VO 4 tetrahedra to form the condensed structure.« less

Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+).

PubMed

Fulle, Kyle; Sanjeewa, Liurukara D; McMillen, Colin D; Kolis, Joseph W

2017-10-01

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE 2 Si 4 O 12 F 2 (RE = Er 3+ -Lu 3+ ) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+ -Ho 3+ ) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group P{\\overline 1} for La 3+ -Nd 3+ , and space group C2/c for Sm 3+ -Ho 3+ ). Two of the structure types identified are based on dinuclear rare earth units that differ in their crystal chemistries, particularly with respect to the role of fluorine as a structural director. The broad study of rare earth ions provides greater insight into understanding structural variations within silicate frameworks and the nature of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

Special K: testing the potassium link between radioactive rubidium (86Rb) turnover and metabolic rate.

PubMed

Tomlinson, Sean; Mathialagan, Priya D; Maloney, Shane K

2014-04-01

The measurement of (86)Rb turnover recently has been suggested as a useful method for measuring field metabolic rate in small animals. We investigated a proposed mechanism of (86)Rb turnover, its analogy to K(+), by comparing the turnover of (86)Rb in a model insect, the rhinoceros beetle Xylotrupes gideon, fed a diet of plum jam or plum jam enriched with K(+) or Rb(+). The turnover of (86)Rb in the beetles on the K(+) and the Rb(+) diets was higher than that for beetles on the jam diet (F2,311=32.4; P=1.58×10(-13)). We also exposed the beetles to different ambient temperatures to induce differences in metabolic rate ( ) while feeding them the jam and K(+) diets. was higher at higher ambient temperature (Ta) for both jam (F1,11=14.56; P=0.003) and K(+) (F1,8=15.39; P=0.004) dietary groups, and the turnover of (86)Rb was higher at higher Ta for both jam (F1,11=10.80; P=0.007) and K(+) (F1,8=12.34; P=0.008) dietary groups. There was a significant relationship between (86)Rb turnover and for both the jam (F1,11=35.00; P=1.0×10(-3)) and the K(+) (F1,8=64.33; P=4.3×10(-5)) diets, but the relationship differed between the diets (F1,19=14.07; P=0.001), with a higher (86)Rb turnover in beetles on the K(+)-enriched than on the jam diet at all Ta. We conclude that (86)Rb turnover is related to K(+) metabolism, and that this is the mechanism of the relationship between (86)Rb turnover and . Studies relating (86)Rb turnover to should maintain dietary [K] as close as possible to that of natural diets for the most accurate calibrations for free-ranging animals.

High current densities above 100 K in the high-temperature superconductor HgBa2CaCu2O6+δ

NASA Astrophysics Data System (ADS)

Krusin-Elbaum, L.; Tsuei, C. C.; Gupta, A.

1995-02-01

THE recent discovery1,2 of a family of mercury-based copper oxide superconductors having transition temperatures1-3 above 130 K is of considerable technological interest. But the viability of high-temperature superconductors for many applications will ultimately depend on the size of the current density, Jc, that they are able to support, not only at high temperatures, but also in high magnetic fields. For the cuprate superconductors, and in particular for Hg-based materials, the combination of high transition temperature1-3 and large mass anisotropy implies that the transport properties will be intrinsically limited by large thermal fluctuations and short superconducting coherence lengths4. Here we report that high-quality c-axis-oriented epitaxial films of the compound HgBa2CaCu6O6+δ (Hg-1212; ref. 5) can support large in-plane current densities at temperatures higher than has been achieved for other superconductors. In low magnetic fields oriented normal to the film surface, we find Jc>~107 A cm-2 at 5 K and Jc~ 105 A cm-2 at 110 K, at least an order of magnitude larger than for Bi- or Tl-based films6-11. For in-plane magnetic fields, the critical current (~108 A cm-2) is close to the theoretical limit even at high fields, indicative of strong intrinsic pinning in this compound.

Electric manipulation of ultracold polar ^40K^87Rb molecules in a magnetic field

NASA Astrophysics Data System (ADS)

Quéméner, Goulven; Bohn, John

2009-05-01

Ultracold fermionic polar molecules of ^40K^87Rb in their absolute rovibronic ground state (v=0,n=0,^1σ) have been created recently [1] in a magnetic trap and open new perspectives to create fermionic degenerate gases of polar molecules. To achieve this goal, it is very important to understand the collisional properties of such molecules under magnetic and electric fields. In our presentation, we investigate ground state fermionic ^40K^87Rb + ^40K^87Rb collisions in the presence of a magnetic field and explore the possibility to control these collisions when an electric field is applied. We will explore the main physical processes that can lead to such manipulation. This problem is complicated by the Zeeman and Stark splitting of all levels of the polar molecules and by the possibility of forming ^40K2 + ^87Rb2 chemical products. 1 - K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Pe'er, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science 322, 231 (2008).

K-Ca and Rb-Sr Dating of Lunar Granite 14321 Revisited

NASA Technical Reports Server (NTRS)

Simon, Justin I.; Shih, C.-Y.; Nyquist, L. E.

2011-01-01

K-Ca and Rb-Sr age determinations were made for a bulk feldspar-rich portion of an Apollo rock fragment of the pristine lunar granite clast (14321,1062), an acid-leached split of the sample, and the leachate. K-Ca and Rb-Sr data were also obtained for a whole rock sample of Apollo ferroan anorthosite (FAN, 15415). The recent detection [1] of widespread intermediate composition plagioclase indicates that the generation of a diversity of evolved lunar magmas maybe more common and therefore more important to our understanding of crust formation than previously believed. Our new data strengthen the K-Ca and Rb-Sr internal isochrons of the well-studied Apollo sample 14321 [2], which along with a renewed effort to study evolved lunar magmas will provide an improved understanding of the petrogenetic history of evolved rocks on the Moon.

Effect of Sr doping on structural and magnetic behavior of SmBa1-xSrxCo2O5+δ (x = 0 and 1)

NASA Astrophysics Data System (ADS)

Kumari, Archana; Dhanasekhar, C.; Das, A. K.

2018-05-01

Layered double perovskite, SmBa1-xSrxCo2O5+δ (x = 0, δ = 0.5 and x = 1, δ = 1) samples were prepared by solid state reaction method. X-ray diffraction studies show that the SmBaCo2O5.5 sample crystallizes in the orthorhombic crystal structure with Pmmm space group, whereas SmSrCo2O6 sample crystallizes in the orthorhombic crystal structure with Pnma space group. The temperature dependent magnetization of the SmBaCo2O5.5 sample shows a paramagnetic (PM)-ferromagnetic (FM) and a FM-antiferromagnetic (AFM) transitions at TC = 267 K and TN = 221 K, respectively. In contrast, the SmSrCo2O6 sample shows a PM-FM transition at TC = 175 K. According to Goodenough-Kanamori-Anderson rules, the ferromagnetic behavior in SmSrCo2O6 can be understood from the super exchange interaction between the intermediate spin Co3+ and low spin Co4+ via O2- (IS Co3+ -O2- - LS Co4+). The change in magnetic entropy (ΔSMmax) is found to be maximum for the SmSrCo2O6 sample.

Structural, thermal and optical properties of TeO2-ZnO-CdO-BaO glasses doped with VO(2+).

PubMed

Sreenivasulu, V; Upender, G; Chandra Mouli, V; Prasad, M

2015-09-05

The glasses with composition 64TeO2-15ZnO-(20-x)CdO-xBaO-1V2O5 (0⩽x⩽20 mol%) were prepared by conventional melt quenching technique. X-ray diffraction analysis was used to confirm the amorphous nature of the glasses. The optical absorption studies revealed that the cut-off wavelength (λα) decreases while optical band gap energy (Eopt) and Urbach energy (ΔE) values increase with an increase of BaO content. Refractive index (n) evaluated from Eopt was found to decrease with an increase of BaO content. The physical parameters such as density (ρ), molar volume (Vm), oxygen packing density (OPD), optical basicity (Λ), molar refraction (Rm), and metallization criterion (M) evaluated and discussed. FTIR and Raman spectroscopic studies showed that the glass network consists of TeO4, TeO3+1/TeO3 and ZnO4 units as basic structural units. The glass transition temperature (Tg) of glass sample, onset crystallization temperature (To) and thermal stability ΔT were determined from Differential Scanning Calorimetry (DSC). Using electron paramagnetic resonance (EPR) spectra of vanadium glasses the spin Hamiltonian parameters and dipolar hyperfine coupling parameters of VO(2+) ions were calculated. It was found that V(4+) ions in these glasses exist as VO(2+) in octahedral coordination with a tetragonal distortion and have C4V symmetry with ground state dxy. Tetragonality (Δg∥/Δg⊥) of vanadium ion sites exhibited non-linear variation with BaO content. Copyright © 2015 Elsevier B.V. All rights reserved.

From {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}]{sup 6-} to {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]{sup 6-} infinite chains in A{sub 6}U{sub 2}Mo{sub 4}O{sub 21} (A=Na, K, Rb, Cs) compounds: Synthesis and crystal structure of Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yagoubi, S.; Groupe de Radiochimie, Institut de Physique Nucleaire d'Orsay, Universite Paris-Sud XI, 91406 Orsay Cedex; Obbade, S., E-mail: said.obbade@phelma.grenoble-inp.f

2011-05-15

A new caesium uranyl molybdate belonging to the M{sub 6}U{sub 2}Mo{sub 4}O{sub 21} family has been synthesized by solid-state reaction and its structure determined from single-crystal X-ray diffraction data. Contrary to the other alkali uranyl molybdates of this family (A=Na, K, Rb) where molybdenum atoms adopt only tetrahedral coordination and which can be formulated A{sub 6}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}], the caesium compound Cs{sub 6}U{sub 2}Mo{sub 4}O{sub 21} should be written Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})] with molybdenum atoms in tetrahedral and square pyramidal environments. Cs{sub 6}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})] crystallizes in the triclinic symmetry withmore » space group P1-bar and a=10.4275(14) A, b=15.075(2) A, c=17.806(2) A, {alpha}=70.72(1){sup o}, {beta}=80.38(1){sup o} and {gamma}=86.39(1){sup o}, V=2604.7(6) A{sup 3}, Z=4, {rho}{sub mes}=5.02(2) g/cm{sup 3} and {rho}{sub cal}=5.08(3) g/cm{sup 3}. A full-matrix least-squares refinement on the basis of F{sup 2} yielded R{sub 1}=0.0464 and wR{sub 2}=0.0950 for 596 parameters with 6964 independent reflections with I{>=}2{sigma}(I) collected on a BRUKER AXS diffractometer with Mo(K{alpha}) radiation and a CCD detector. The crystal structure of Cs compound is characterized by {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}(MoO{sub 4}){sub 3}(MoO{sub 5})]{sup 6-} parallels chains built from U{sub 2}O{sub 13} dimeric units, MoO{sub 4} tetrahedra and MoO{sub 5} square pyramids, whereas, Na, K and Rb compounds are characterized by {sub {infinity}}{sup 1}[(UO{sub 2}){sub 2}O(MoO{sub 4}){sub 4}]{sup 6-} parallel chains formulated simply of U{sub 2}O{sub 13} units and MoO{sub 4} tetrahedra. Infrared spectroscopy measurements using powdered samples synthesized by solid-state reaction, confirm the structural results. The thermal stability and the electrical conductivity are also studied. The four compounds decompose at low temperature (between 540 and 610

Apoptosis of Corneal Epithelial Cells Caused by Ultraviolet B-induced Loss of K+ is Inhibited by Ba2+

PubMed Central

Glupker, Courtney D.; Boersma, Peter M.; Schotanus, Mark P.; Haarsma, Loren D.; Ubels, John L.

2017-01-01

UVB exposure at ambient outdoor levels triggers rapid K+ loss and apoptosis in human corneal limbal epithelial (HCLE) cells cultured in medium containing 5.5 mM K+, but considerably less apoptosis occurs when the medium contains the high K+ concentration that is present in tears (25 mM). Since Ba2+ blocks several K+ channels, we tested whether Ba2+-sensitive K+ channels are responsible for some or all of the UVB-activated K+ loss and subsequent activation of the caspase cascade and apoptosis. Corneal epithelial cells in culture were exposed to UVB at 80 or 150 mJ/cm2. Patch-clamp recording was used to measure UVB-induced K+ currents. Caspase-activity and TUNEL assays were performed on HCLE cells exposed to UVB followed by incubation in the presence or absence of Ba2+. K+ currents were activated in HCLE cells following UVB-exposure. These currents were reversibly blocked by 5 mM Ba2+. When HCLE cells were incubated with 5 mM Ba2+ after exposure to UVB, activation of caspases-9, -8, and -3 and DNA fragmentation were significantly decreased. The data confirm that UVB-induced K+ current activation and loss of intracellular K+ leads to activation of the caspase cascade and apoptosis. Extracellular Ba2+ inhibits UVB-induced apoptosis by preventing loss of intracellular K+ when K+ channels are activated. Ba2+ therefore has effects similar to elevated extracellular K+ in protecting HCLE cells from UVB-induced apoptosis. This supports our overall hypothesis that elevated K+ in tears contributes to protection of the corneal epithelium from adverse effects of ambient outdoor UVB. PMID:27189864

Annealing temperature and O2 partial pressure dependence of T(sub c) in HgBa2CuO(4+delta)

NASA Technical Reports Server (NTRS)

Xiong, Q.; Cao, Y.; Chen, F.; Xue, Y. Y.; Chu, C. W.

1994-01-01

Samples of HgBa2CuO(4+delta) (Hg-1201) were annealed under various conditions. After carefully controlling annealing time, annealing temperature (T(sub a)) and O2 partial pressure (P(sub 0)), we were able to find the reversible annealing conditions for Hg-1201. Under 1 atm O2 at 260 C less than or equal to T(sub a) less than or equal to 400 C, the obtained T(sub c) is nearly the same (approximately 97 K). However, it decreases quickly with T(sub a) greater than 300 C in high vacuum (P(sub 0) approximately 10(exp -8) atm), and reaches zero at T(sub a) = 400 C. On the other hand, T(sub c) decreases with the decrease of T(sub a) in high-pressure O2 (approximately 500 atm) and reaches approximately 20 K at about 240 C. In the entire annealing region, the oxygen surplus varies significantly from 0.03 to 0.4, and a wide range of T(sub c) variation (0 goes to 97 K goes to 20 K) was obtained with anion doping alone.

High critical currents in heavily doped (Gd,Y)Ba 2Cu 3O x superconductor tapes

DOE PAGES

Selvamanickam, V.; Gharahcheshmeh, M. Heydari; Xu, A.; ...

2015-01-20

REBa 2Cu 3O x superconductor tapes with moderate levels of dopants have been optimized for high critical current density in low magnetic fields at 77 K, but they do not exhibit exemplary performance in conditions of interest for practical applications, i.e., temperatures less than 50 K and fields of 2–30 T. Heavy doping of REBCO tapes has been avoided by researchers thus far due to deterioration in properties. Here, we report achievement of critical current densities (J c) above 20 MA/cm 2 at 30 K, 3 T in heavily doped (25 mol. % Zr-added) (Gd,Y)Ba 2Cu 3O x superconductor tapes,more » which is more than three times higher than the J c typically obtained in moderately doped tapes. Pinning force levels above 1000 GN/m 3 have also been attained at 20 K. A composition map of lift factor in J c (ratio of J c at 30 K, 3 T to the J c at 77 K, 0 T) has been developed which reveals the optimum film composition to obtain lift factors above six, which is thrice the typical value. A highly c-axis aligned BaZrO 3 (BZO) nanocolumn defect density of nearly 7 × 10 11 cm –2 as well as 2–3nm sized particles rich in Cu and Zr have been found in the high J c films.« less

High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO{sub 2})Cl(SeO{sub 3}), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 2}, and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babo, Jean-Marie; Department of Civil and Environmental Engineering and Earth Sciences and Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556; Albrecht-Schmitt, Thomas E., E-mail: talbrechtschmitt@gmail.com

2013-10-15

Cs(UO{sub 2})Cl(SeO{sub 3}) (1), Rb{sub 2}(UO{sub 2}){sub 3}O{sub 2}(SeO{sub 3}){sub 3} (2), and RbNa{sub 5}U{sub 2}(SO{sub 4}){sub 7} (3) single crystals were synthesized using CsCl, RbCl, and a CuCl/NaCl eutectic mixture as fluxes, respectively. Their lattice parameters and space groups are as follows: P2{sub 1}/n (a=6.548(1) Å, b=11.052(2) Å, c=10.666(2) Å and β=93.897(3)°), P1{sup ¯} (a=7.051(2) Å, b=7.198(2) Å, c=8.314(2) Å, α=107.897(3)°, β=102.687(3)° and γ=100.564(3)°) and C2/c (a=17.862(4) Å, b=6.931(1) Å, c=20.133(4) Å and β=109.737(6)°. The small anionic building units found in these compounds are SeO{sub 3}{sup 2−} and SO{sub 4}{sup 2−} tetrahedra, oxide, and chloride. The crystal structure ofmore » the first compound is composed of [(UO{sub 2}){sub 2}Cl{sub 2}(SeO{sub 3}){sub 2}]{sup 2−} chains separated by Cs{sup +} cations. The structure of (2) is constructed from [(UO{sub 2}){sub 3}O{sub 11}]{sup 16−} chains further connected through selenite units into layers stacked perpendicularly to the [0 1 0] direction, with Rb{sup +} cations intercalating between them. The structure of compound (3) is made of uranyl sulfate layers formed by edge and vertex connections between dimeric [U{sub 2}O{sub 16}] and [SO{sub 4}] polyhedra. These layers contain unusual sulfate–metal connectivity as well as large voids. - Graphical abstract: A new family of uranyl selenites and sulfates has been prepared by high-temperature redox reactions. This compounds display new bonding motifs. Display Omitted - Highlights: • Low-dimensional Uranyl Oxoanion compounds. • Conversion of U(IV) to U(VI) at high temperatures. • Dimensional reduction by both halides and stereochemically active lone-pairs.« less

Magnetic properties of mixed spinel BaTiO{sub 3}-NiFe{sub 2}O{sub 4} composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkar, Babusona; Dalal, Biswajit; Dev Ashok, Vishal

2014-03-28

Solid solution of nickel ferrite (NiFe{sub 2}O{sub 4}) and barium titanate (BaTiO{sub 3}), (100-x)BaTiO{sub 3}–(x) NiFe{sub 2}O{sub 4} has been prepared by solid state reaction. Compressive strain is developed in NiFe{sub 2}O{sub 4} due to mutual structural interaction across the interface of NiFe{sub 2}O{sub 4} and BaTiO{sub 3} phases. Quantitative analysis of X-ray diffraction and X-ray photo electron spectrum suggest mixed spinel structure of NiFe{sub 2}O{sub 4}. A systematic study of composition dependence of composite indicates BaTiO{sub 3} causes a random distribution of Fe and Ni cations among octahedral and tetrahedral sites during non-equilibrium growth of NiFe{sub 2}O{sub 4}. Themore » degree of inversion decreases monotonically from 0.97 to 0.75 with increase of BaTiO{sub 3} content. Temperature dependence of magnetization has been analyzed by four sublattice model to describe complex magnetic exchange interactions in mixed spinel phase. Curie temperature and saturation magnetization decrease with increase of BaTiO{sub 3} concentration. Enhancement of strain and larger occupancy of Ni{sup 2+} at tetrahedral site increase coercivity up to 200 Oe. Magnetostructual coupling induced by BaTiO{sub 3} improves coercivity in NiFe{sub 2}O{sub 4}. An increase in the demagnetization and homogeneity in magnetization process in NiFe{sub 2}O{sub 4} is observed due to the interaction with diamagnetic BaTiO{sub 3}.« less

Synthesis and characterization of high-Tc superconductors in the Tl-Ca-Ba-Cu-O system

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Farrell, D. E.

1989-01-01

Both Tl2Ca2Ba2Cu3O10 and TlCa3BaCu3O8.5 are investigated for superconductivity as a function of the sintering temperature, time, atmosphere, and quench rate in an effort to synthesize the high-Tc superconducting phase in the thallium system. The samples are characterized by electrical resistivity measurements, X-ray diffraction, and scanning electron microscopy. Samples of starting composition Tl2Ca2Ba2Cu3O10 fired in air at 860-900 C and rapidly quenched show a Tc of 96-107 K. In contrast, specimens of starting composition TlCa3BaCu3O8.5 when baked at 900 C and slowly cooled in oxygen superconduct at 116 K and above and consist of Tl2Ca2Ba2Cu3O(10+x) as the dominant phase. The results also show that, in contrast to the case of YBa2Cu3O(7-x), doping with a small concentration of fluorine sharpens the resistive transition and produces a large Tc increase in thallium-based superconductors.

Energy transfer between Eu-Mn and photoluminescence properties of Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ solid solution

NASA Astrophysics Data System (ADS)

Zhou, Jun; Wang, Yuhua; Liu, Bitao; Li, Feng

2010-08-01

In order to evaluate the energy transfer between Eu-Mn in Ba0.75Al11O17.25-BaMgAl10O17 solid solution, Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ phosphors were prepared by flux method. The crystal structure and the morphology of the solid solution were demonstrated by x-ray dirrfactometer and scanning electron microscopy. The photoluminescence mechanisms were explained by the energy transfer of Eu2+ to Mn2+ and the Dexter theory. A redshift of green emission peak and a decrease in decay time with the increase in Mn2+ concentration were observed. These phenomena are attributed to the formation of Mn2+ paired centers after analysis by a method of Pade approximations.

Effects of Sulfation Level on the Desulfation Behavior of Presulfated Pt-BaO/Al2O3 Lean NOx Trap Catalysts: A Combined H2 Temperature-Programmed Reaction, in Situ Sulfur K-Edge X-ray Absorption Near-Edge Spectroscopy, X-ray Photoelectron Spectroscopy, and Time-Resolved X-ray Diffraction Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, D.H.; Hanson, J.; Szanyi, J.

2009-04-30

Desulfation by hydrogen of presulfated Pt (2 wt %)-BaO(20 wt %)/Al{sub 2}O{sub 3} with various sulfur loading (S/Ba = 0.12, 0.31, and 0.62) were investigated by combining H{sub 2} temperature programmed reaction (TPRX), X-ray photoelectron spectroscopy (XPS), in situ sulfur K-edge X-ray absorption near-edge spectroscopy (XANES), and synchrotron time-resolved X-ray diffraction (TR-XRD) techniques. We find that the amount of H{sub 2}S desorbed during the desulfation in the H{sub 2} TPRX experiments is not proportional to the amount of initial sulfur loading. The results of both in situ sulfur K-edge XANES and TR-XRD show that at low sulfur loadings, sulfates weremore » transformed to a BaS phase and remained in the catalyst rather than being removed as H{sub 2}S. On the other hand, when the deposited sulfur level exceeded a certain threshold (at least S/Ba = 0.31) sulfates were reduced to form H{sub 2}S, and the relative amount of the residual sulfide species in the catalyst was much less than at low sulfur loading. Unlike samples with high sulfur loading (e.g., S/Ba = 0.62), H{sub 2}O did not promote the desulfation for the sample with S/Ba of 0.12, implying that the formed BaS species originating from the reduction of sulfates at low sulfur loading are more stable to hydrolysis. The results of this combined spectroscopy investigation provide clear evidence to show that sulfates at low sulfur loadings are less likely to be removed as H{sub 2}S and have a greater tendency to be transformed to BaS on the material, leading to the conclusion that desulfation behavior of Pt-BaO/Al{sub 2}O{sub 3} lean NO{sub x} trap catalysts is markedly dependent on the sulfation levels.« less

Raman study of high temperature insulator-insulator transition in Ba2Co9O14

NASA Astrophysics Data System (ADS)

Zaghrioui, M.; Delorme, F.; Chen, C.; Camara, N. R.; Giovannelli, F.

2018-05-01

The insulator-insulator transition, at Tt = 570 K, in layered cobalt oxide Ba2Co9O14 was investigated using Raman scattering technique. High temperature (300-800 K) measurements have evidenced no structural transition occurring at Tt. The obtained results are rather consistent with low to high spin-state transition of Co3+ ions in the Co3O12 octahedral trimer. More precisely, only one cobalt ion located in the central octahedron of the trimer undergoes this transition.

Vibrational spectra and lattice instabilities in the high-Tc superconductors YBa2Cu3O7 and GdBa2Cu3O7

NASA Astrophysics Data System (ADS)

Bozović, I.; Mitzi, D.; Beasley, M.; Kapitulnik, A.; Geballe, T.; Perkowitz, S.; Carr, G. L.; Lou, B.; Sudharsanan, R.; Yom, S. S.

1987-09-01

The exceptionally high Tc of layered cuprates was proposed recently as originating from electronically driven structural instabilities. We have studied the infrared and Raman spectra of YBa2Cu3O7-δ and GdBa2Cu3O7-δ over a broad range of temperatures, from 10 to 300 K. We observed neither mode softening nor any other spectroscopic signature of lattice instabilities.

Microstructure and dielectric parameters of epitaxial SrRuO3/BaTiO3/SrRuO3 heterostructures

NASA Astrophysics Data System (ADS)

Boikov, Yu. A.; Claeson, T.

2001-05-01

Epitaxial films of ferroelectric barium titanate are desirable in a number of applications but their properties are inferior to those of bulk material. Relations between microstructure and dielectric properties may give better understanding of limitations. Trilayer heterostructures SrRuO3/BaTiO3/SrRuO3 were grown by laser ablation on (100)LaAlO3 and (100)MgO substrates. The BaTiO3 layer was granular in structure. When grown on (100)SrRuO3/(100)LaAlO3, it was preferentially a-axis oriented due to tensile mechanical stress. Using (100)MgO as a substrate, on the other hand, produced a mixture of about equal value of a-axis and c-axis oriented grains of BaTiO3. The dielectric permittivity, ɛ, of the BaTiO3 layer was almost twice as large, at T>200 K and f=100 kHz, for the LaAlO3 substrate as compared to the MgO one. Its maximum value (ɛ/ɛ0≈6200) depended on temperature of growth, grain size, and electric field and compares well with optimal values commonly used for ceramic material. The maximum in the ɛ(T) shifted from about 370 to 320 K when the grain size in the BaTiO3 film decreased from 100 to 40 nm. At T<300 K, hysteresis loops in polarization versus electric field were roughly symmetric. The BaTiO3 films grown on (100)SrRuO3/(100)MgO exhibit the largest remnant polarizations and coercive fields in the temperature range 100-380 K.

Ba 2TeO as an optoelectronic material: First-principles study

DOE PAGES

Sun, Jifeng; Shi, Hongliang; Du, Mao-Hua; ...

2015-05-21

The band structure, optical and defects properties of Ba 2TeO are systematically investigated using density functional theory with a view to understanding its potential as an optoelectronic or transparent conducting material. Ba 2TeO crystallizes with tetragonal structure (space group P4/nmm) and with a 2.93 eV optical band gap1. We find relatively modest band masses for both electrons and holes suggesting applications. Optical properties show a infrared-red absorption when doped. This could potentially be useful for combining wavelength filtering and transparent conducting functions. Furthermore, our defect calculations show that Ba 2TeO is intrinsically p-type conducting under Ba-poor condition. However, the spontaneousmore » formation of the donor defects may constrain the p-type transport properties and would need to be addressed to enable applications.« less

Magnetic, local ferroelectricity and magnetodielectric properties of NiFe2O4-poly (vinylidene-fluoride)-BaTiO3 composite film

NASA Astrophysics Data System (ADS)

Kumar, Amit; Yadav, K. L.

2016-04-01

We report the magnetic, dielectric, and magnetoelctric properties of NiFe2O4-poly (vinylidene-fluoride)-BaTiO3 composite film. The coercive field (±2H c ˜ 344 Oe) and remnant magnetization (M r ˜ 6.1 emu g-1) were observed at room temperature. The dielectric permittivity at room temperature (ɛ‧RT ˜ 281) was found to decrease with increase in frequency. The magnetocapacitance was found to be ˜5.9% at an applied dc magnetic field of 8 kOe (frequency = 1 kHz). Magnetoelectric coupling coefficient (α E ˜ 4.1 mV cm-1 Oe-1) measured by dynamic method (at ac magnetic field = 30 Oe) is observed higher (two times) than those reported for some materials. In addition, we have observed the image of ferroelectric domain using piezoelectric force microscopy at room temperature. Large magnetodielectric/magnetoelectric response in this composite is possibly a result of the effective mechanical interaction between NiFe2O4 and BaTiO3 through the polymer matrix.

Low temperature phase of the trigonal RbIn(MoO4)2 crystal

NASA Astrophysics Data System (ADS)

Zapart, W.; Zapart, M. B.; Schranz, W.; Reinecker, M.

2013-02-01

The present article is devoted to a new low-temperature phase transition found at about T pt = 84 K in the layered RbIn(MoO4)2 crystal. This phase transition is well proved by dynamical mechanical analysis through anomalies in the temperature behaviour of both real and imaginary parts of the Young's modulus. From the polarizing microscope observations it was found that below T pt the ferroelastic phase disappears. This transition has also been seen through strong changes in the shape of the electron paramagnetic resonance lines. EPR studies, performed in the liquid nitrogen temperature, yield evidence of strong rebuilding of the crystal unit cell in comparison with that of the high temperature paraelastic phase.

Phase-pure eutectic CoFe2O4-Ba1-xSrxTiO3 composites prepared by floating zone melting

NASA Astrophysics Data System (ADS)

Breitenbach, Martin; Ebbinghaus, Stefan G.

2018-02-01

Composites consisting of ferrimagnetic CoFe2O4 and ferroelectric Ba1-xSrxTiO3 were grown by the floating zone technique. The influence of Sr substitution, growth rate and atmosphere during the floating zone process were investigated. The formation of the non-ferroelectric, hexagonal modification of BaTiO3 was avoided by a slight Sr substitution of 3 mol% and the formation of BaFe12O19 was suppressed using pure nitrogen as atmosphere during the floating zone melting. These synthesis parameters led to phase-pure, but electrically conductive CoFe2O4-Ba1-xSrxTiO3 composites. A thermal treatment at 973 K in air resulted in a strong increase of the electric resistivity accompanied by a decrease of the unit-cell parameters of both components indicating the healing of oxygen defects. SEM investigations revealed a variety of different geometric structures and crack-free interfaces between both phases. The low porosities observed in the micrographs correspond with densities above 90%. Magnetoelectric (ME) measurements confirmed a coupling between the ferroic orders of both phases with a hysteresis and maximum αME of 1.3 mV Oe-1 cm-1.

Two novel nonlinear optical carbonates in the deep-ultraviolet region: KBeCO3F and RbAlCO3F2

PubMed Central

Kang, Lei; Lin, Zheshuai; Qin, Jingui; Chen, Chuangtian

2013-01-01

With the rapid developments of the all-solid-state deep-ultraviolet (deep-UV) lasers, the good nonlinear optical (NLO) crystal applied in this spectral region is currently lacking. Here, we design two novel NLO carbonates KBeCO3F and RbAlCO3F2 from the first-principles theory implemented in the molecular engineering expert system especially for NLO crystals. Both structurally stable crystals possess very large energy band gaps and optical anisotropy, so they would become the very promising deep-UV NLO crystals alternative to KBBF. Recent experimental results on MNCO3F (M = K, Rb, Cs; N = Ca, Sr, Ba) not only confirm our calculations, but also suggest that the synthesis of the KBeCO3F and RbAlCO3F2 crystals is feasible. PMID:23455618

Improvement of the field-trapping capabilities of bulk Nd Ba Cu O superconductors using Ba Cu O substrates

NASA Astrophysics Data System (ADS)

Matsui, Motohide; Nariki, Shinya; Sakai, Naomichi; Iwafuchi, Kengo; Murakami, Masato

2006-07-01

We used Ba-Cu-O substrates to fabricate bulk Nd-Ba-Cu-O superconductors using a top-seeded melt-growth method. There were several advantages for the use of Ba-Cu-O substrate compared to conventional substrate materials such as MgO, ZrO2, Al2O3, RE123 and RE211 (RE = rare earth). The Ba-Cu-O did not react with the precursor and minimized liquid loss. Accordingly, the introduction of large-sized cracks was suppressed. We also found that Tc values were high at the bottom regions, which was ascribed to the beneficial effect of Ba-Cu-O in suppressing Nd/Ba substitution. As a result, we obtained bulk Nd-Ba-Cu-O superconductors that exhibited fairly good field-trapping capabilities, even at the bottom surfaces.

From Ba{sub 3}Ta{sub 5}O{sub 14}N to LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}: Decreasing the optical band gap of a photocatalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anke, B.; Bredow, T.; Pilarski, M.

Yellow LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba{sub 3}Ta{sub 5}O{sub 14}N and mixed-valence Ba{sub 3}Ta{sup V}{sub 4}Ta{sup IV}O{sub 15}. The electronic structure of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba{sub 3}Ta{sub 5}O{sub 14}N to 2.63 eV for the new oxide nitride, giving risemore » to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba{sub 3}Ta{sub 5}O{sub 14}N revealing significantly higher activity for LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} with the results of the Rietveld refinements. Inset: Unit cell of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}. • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H{sub 2} evolution rate compared to prior tested Ba{sub 3}Ta{sub 5}O{sub 14}N.« less

Luminescence properties of Eu2+ in M2MgSi2O7 (M=Ca, Sr, and Ba) phosphors

NASA Astrophysics Data System (ADS)

Kim, T.; Kim, Y.; Kang, S.

2012-03-01

The photoluminescence properties of alkali-earth magnesium silicates (M2MgSi2O7, M=Ca, Sr, and Ba) doped with Eu2+ were investigated. Solid solutions of Ba x Sr2- x Si2O7, Ca2MgSi2O7, and Sr2MgSi2O7 were prepared. Ba x Sr2- x Si2O7 retained a tetragonal crystal structure similar to the structure of the other compounds up to a stoichiometry of x=1.6, which enabled a systematic study of the common structure. Monoclinic Ba2MgSi2O7 was prepared, and the luminescence properties were compared with those of other samples. The emission and excitation spectra of tetragonal M2MgSi2O7 (M=Ca, Sr, and Ba) changed as a function of the covalency, site symmetry, and crystal field strength. The luminescence properties showed excellent agreement with theoretical predictions based on these factors. The Stokes shift differentiated the emission behaviors of the tetragonal and monoclinic structures.

Structural analysis of PrBaMn2O5+δ under SOFC anode conditions by in-situ neutron powder diffraction

NASA Astrophysics Data System (ADS)

Tomkiewicz, Alex C.; Tamimi, Mazin A.; Huq, Ashfia; McIntosh, Steven

2016-10-01

The crystal structure and oxygen stoichiometry of the proposed double perovskite solid oxide fuel cell (SOFC) anode material PrBaMn2O5+δ were determined under SOFC anode conditions via in-situ neutron diffraction. Measurements were performed in reducing atmospheres between 692 K and 984 K. The structure was fit to a tetragonal (space group P4/mmm) layered double perovskite structure with alternating Pr and Ba A-site cation layers. Under all conditions examined, the oxygen sites in the Ba and Mn layers were fully occupied, while the sites in the Pr layer were close to completely vacant. The results of the neutron diffraction experiments are compared to previous thermogravimetric analysis experiments to verify the accuracy of both experiments. PrBaMn2O5+δ was shown to be stable over a wide range of reducing atmospheres similar to anode operating conditions in solid oxide fuel cells without significant structural changes.

K and Ba distribution in the structures of the clathrate compounds K(x)Ba(16-x)(Ga,Sn)136 (x = 0.8, 4.4, and 12.9) and K(x)Ba(8-x)(Ga,Sn)46 (x = 0.3).

PubMed

Schäfer, Marion C; Bobev, Svilen

2013-04-01

Studies of the K-Ba-Ga-Sn system produced the clathrate compounds K(0.8(2))Ba(15.2(2))Ga(31.0(5))Sn(105.0(5)) [a = 17.0178 (4) Å], K(4.3(3))Ba(11.7(3))Ga(27.4(4))Sn(108.6(4)) [a = 17.0709 (6) Å] and K(12.9(2))Ba(3.1(2))Ga(19.5(4))Sn(116.5(4)) [a = 17.1946 (8) Å], with the type-II structure (cubic, space group Fd3m), and K(7.7(1))Ba(0.3(1))Ga(8.3(4))Sn(37.7(4)) [a = 11.9447 (4) Å], with the type-I structure (cubic, space group Pm3n). For the type-II structures, only the smaller (Ga,Sn)24 pentagonal dodecahedral cages are filled, while the (Ga,Sn)28 hexakaidecahedral cages remain empty. The unit-cell volume is directly correlated with the K:Ba ratio, since an increasing amount of monovalent K occupying the cages causes a decreasing substitution of the smaller Ga in the framework. All three formulae have an electron count that is in good agreement with the Zintl-Klemm rules. For the type-I compound, all framework sites are occupied by a mixture of Ga and Sn atoms, with Ga showing a preference for Wyckoff site 6c. The (Ga,Sn)20 pentagonal dodecahedral cages are occupied by statistically disordered K and Ba atoms, while the (Ga,Sn)24 tetrakaidecahedral cages encapsulate only K atoms. Large anisotropic displacement parameters for K in the latter cages suggest an off-centering of the guest atoms.

Origin and Luminescence of Anomalous Red-Emitting Center in Rhombohedral Ba9Lu2Si6O24:Eu(2+) Blue Phosphor.

PubMed

Liu, Yongfu; Zhang, Changhua; Cheng, Zhixuan; Zhou, Zhi; Jiang, Jun; Jiang, Haochuan

2016-09-06

We obtain a blue phosphor, Ba9Lu2Si6O24:Eu(2+) (BLS:Eu(2+)), which shows a strong emission peak at 460 nm and a weak tail from 460 to 750 nm. A 610 nm red emission is observed for the first time in this kind of rhombohedral structure material, which is much different from the same crystal structure of Ba9Sc2Si6O24:Eu(2+) and Ba9Y2Si6O24:Eu(2+). The luminescence properties and decays from 10 to 550 K are discussed. The new red emission arises from a trapped exciton state of Eu(2+) at the Ba site with a larger coordination number (12-fold). It exhibits abnormal luminescence properties with a broad bandwidth and a large Stokes shift. Under the 400 nm excitation, the external quantum efficiency of BLS:Eu(2+) is 45.4%, which is higher than the 35.7% for the commercial blue phosphor BAM:Eu(2+). If the thermal stability of BLS:Eu(2+) can be improved, it will show promising applications in efficient near-UV-based white LEDs.

O(2)-dependent K(+) fluxes in trout red blood cells: the nature of O(2) sensing revealed by the O(2) affinity, cooperativity and pH dependence of transport.

PubMed

Berenbrink, M; Völkel, S; Heisler, N; Nikinmaa, M

2000-07-01

The effects of pH and O(2) tension on the isotonic ouabain-resistant K(+) (Rb+) flux pathway and on haemoglobin O2 binding were studied in trout red blood cells (RBCs) in order to test for a direct effect of haemoglobin O(2) saturation on K(+) transport across the RBC membrane. At pH values corresponding to in vivo control arterial plasma pH and higher, elevation of the O(2) partial pressure (PO(2)) from 7.8 to 157 mmHg increased unidirectional K(+) influx across the RBC membrane several-fold. At lower extracellular pH values, stimulation of K(+) influx by O(2) was depressed, exhibiting an apparent pK(a) (pK'(a)) for the process of 8.0. Under similar conditions the pK'(a) for acid-induced deoxygenation of haemoglobin (Hb) was 7.3. When trout RBCs were exposed to PO(2) values between 0 and 747 mmHg, O(2) equilibrium curves typical of Hb O(2) saturation were also obtained for K(+) influx and efflux. However, at pH 7.9, the PO(2) for half-maximal K(+) efflux and K(+) influx (P50) was about 8- to 12-fold higher than the P(50) for Hb-O(2) binding. While K(+) influx and efflux stimulation by O(2) was essentially non-cooperative, Hb-O(2) equilibrium curves were distinctly sigmoidal (Hill parameters close to 1 and 3, respectively). O(2)-stimulated K(+) influx and efflux were strongly pH dependent. When the definition of the Bohr factor for respiratory pigments (Phi = delta logP50 x delta pH(-1)) was extended to the effect of pH on O(2)-dependent K(+) influx and efflux, extracellular Bohr factors (Phi(o) of -2.00 and -2.06 were obtained, values much higher than that for Hb (Phi(o) = -0.49). The results of this study are consistent with an O(2) sensing mechanism differing markedly in affinity and cooperativity of O(2) binding, as well as in pH sensitivity, from bulk Hb.

Excitons emissions and Raman scattering of ZnO nanoparticles embedded in BaF2 matrices by reactive magnetron sputtering.

PubMed

Zang, C H; Su, J F; Liu, Y C; Tang, C J; Fang, S J; Zhang, D M; Zhang, Y S

2011-11-01

ZnO nanoparticles embedded in BaF2 matrix were fabricated by rf magnetic sputtering technology. The optical properties of high quality ZnO nanoparticles, thermally post treated in a N2 atmosphere, were investigated by temperature-dependence photoluminescence measurement. Free exciton and localized exciton were observed at the low temperature. Free exciton peak was at 3.374 eV and localized exciton peak was at 3.420 eV, dominating the PL spectrum at 77 K. Free exciton transition was observed at 3.310 eV at room temperature, whereas the localized exciton transition was at 3.378 eV. The multiple-phonon Raman scattering spectrum showed that ZnO nanoparticles embedded in BaF2 matrix had a large deformation energy originated from lattice mismatch between ZnO and BaF2 matrix. Analysis of the fitting results from the temperature dependence of FWHM of ZnO exciton illustrated that the large value of gamma(ph) was good qualitative agreement with the large deformation potential.

Influence of Y2O3 Addition on Crystallization, Thermal, Mechanical, and Electrical Properties of BaO-Al2O3-B2O3-SiO2 Glass-Ceramic for Ceramic Ball Grid Array Package

NASA Astrophysics Data System (ADS)

Li, Bo; Li, Wei; Zheng, Jingguo

2018-01-01

Y2O3 addition has a significant influence on the crystallization, thermal, mechanical, and electrical properties of BaO -Al2O3 -B2O3 -SiO2 (BABS) glass-ceramics. Semi-quantitative calculation based on x-ray diffraction demonstrated that with increasing Y2O3 content, both the crystallinity and the phase content of cristobalite gradually decreased. It is effective for the additive Y2O3 to inhibit the formation of cristobalite phase with a large coefficient of thermal expansion value. The flexural strength and the Young's modulus, thus, are remarkably increased from 140 MPa to 200 MPa and 56.5 GPa to 63.7 GPa, respectively. Also, the sintering kinetics of BABS glass-ceramics with various Y2O3 were investigated using the isothermal sintering shrinkage curve at different sintering temperatures. The sintering activation energy Q sharply decreased from 99.8 kJ/mol to 81.5 kJ/mol when 0.2% Y2O3 was added, which indicated that a small amount of Y2O3 could effectively promote the sintering procedure of BABS glass-ceramics.

Ionic ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) stabilized by the covalent Si–N bonding: First-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Huijun; Ren, Jiadong, E-mail: jdren@ysu.edu.cn; Wu, Lailei

The structural, elastic and electronic properties of LiSi{sub 2}N{sub 3} and its substitutions by Na, K and Rb were investigated through first-principles computations. The expansion of lattice parameters of ASi{sub 2}N{sub 3} from Li, Na, K to Rb is found to be determined by the bond angle of Si–N1–Si, which suggests a possible way to improve the lithium ionic conductivity by substitutions. ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) shows the similar elastic behaviors, while the electronic band gap gradually decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. Interestingly, the analysis of electronicmore » structure, crystal orbital Hamiltonian populations and Bader charges shows that the covalence of Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3} phase. Among ASi{sub 2}N{sub 3} phases, there is a relatively high ionicity in NaSi{sub 2}N{sub 3}; the Si–N bond strength in [Si{sub 2}N{sub 3}]{sup −} net for KSi{sub 2}N{sub 3} and RbSi{sub 2}N{sub 3} is comparable to LiSi{sub 2}N{sub 3}, but stronger than NaSi{sub 2}N{sub 3}. - Graphic abstract: Universal trend of structural and electronic properties in alkaline metal silicon nitrides, ASi{sub 2}N{sub 3}, A=Li, Na, K and Rb. - Highlights: • Trend in structure, electronic and mechanical properties of ASi{sub 2}N{sub 3} (A=Li-Rb) were predicted. • Lattice expansion of ASi{sub 2}N{sub 3} induced by the bond angle of Si–N1–Si was found. • Calculated band gap decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. • Covalent Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3}.« less

Conductor-backed coplanar waveguide resonators of Y-Ba-Cu-O and Tl-Ba-Ca-Cu-O on LaAlO3

NASA Technical Reports Server (NTRS)

Miranda, F. A.; Bhasin, K. B.; Stan, M. A.; Kong, K. S.; Itoh, T.

1992-01-01

Conductor-backed coplanar waveguide (CBCPW) resonators operating at 10.8 GHz have been fabricated from Tl-Ba-Ca-O (TBCCO) and Y-Ba-Cu-O (YBCO) thin films on LaAlO3. The resonators consist of a coplanar waveguide (CPW) patterned on the superconducting film side of the LaAlO3 substrate with a gold ground plane coated on the opposite side. These resonators were tested in the temperature range from 14 to 106 K. At 77 K, the best of our TBCCO and YBCO resonators have an unloaded quality factor (Qo) 7 and 4 times, respectively, larger than that of a similar all-gold resonator. In this study, the Qo's of the TBCCO resonators were larger than those of their YBCO counterparts throughout the aforementioned temperature range.

Conduction Mechanisms in Multiferroic Multilayer BaTiO3/NiFe2O4/BaTiO3 Memristors

NASA Astrophysics Data System (ADS)

Samardzic, N.; Bajac, B.; Srdic, V. V.; Stojanovic, G. M.

2017-10-01

Memristive devices and materials are extensively studied as they offer diverse properties and applications in digital, analog and bio-inspired circuits. In this paper, we present an important class of memristors, multiferroic memristors, which are composed of multiferroic multilayer BaTiO3/NiFe2O4/BaTiO3 thin films, fabricated by a spin-coating deposition technique on platinized Si wafers. This cost-effective device shows symmetric and reproducible current-voltage characteristics for the actuating voltage amplitude of ±10 V. The origin of the conduction mechanism was investigated by measuring the electrical response in different voltage and temperature conditions. The results indicate the existence of two mechanisms: thermionic emission and Fowler-Nordheim tunnelling, which alternate with actuating voltage amplitude and operating temperature.

The frustrated fcc antiferromagnet Ba 2 YOsO 6: Structural characterization, magnetic properties and neutron scattering studies

DOE PAGES

Kermarrec, E.; Marjerrison, Casey A.; Thompson, C. M.; ...

2015-02-26

Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba 2 YOsO 6. The Fmmore » $$\\bar{3}$$m space group is found both at 290 K and 3.5 K with cell constants a 0=8.3541(4) Å and 8.3435(4) Å, respectively. Os 5+ (5d 3) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below T N~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μ B on Os 5+. The ordered moment is much reduced from either the expected spin-only value of ~3 μ B or the value appropriate to 4d 3 Ru 5+ in isostructural Ba 2 YRuO 6 of 2.2(1) μ B, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d 3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru 5+,4d 3 cubic double perovskite Ba 2YRuO 6, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.« less

Flux pinning landscape up to 25 T in SmBa2Cu3O y films with BaHfO3 nanorods fabricated by low-temperature growth technique

NASA Astrophysics Data System (ADS)

Tsuchiya, Yuji; Miura, Shun; Awaji, Satoshi; Ichino, Yusuke; Matsumoto, Kaname; Izumi, Teruo; Watanabe, Kazuo; Yoshida, Yutaka

2017-10-01

REBa2Cu3O y superconducting tapes are appropriate for high field magnet applications at low temperatures (i.e. below liquid nitrogen temperature). To clarify the morphology and the volume of the effective pinning center at low temperatures, we used a low-temperature growth technique to fabricate SmBa2Cu3O y (SmBCO) films with various amounts of BaHfO3 (BHO) nanorods onto MgO-buffered metal substrates produced by ion-beam-assisted deposition; we investigated their flux pinning properties using a 25 T cryogen-free superconducting magnet that was recently developed at Tohoku University. According to the microstructural analysis using transmission electron microscopy, the BHO nanorods have a content-dependent morphology and are aligned for the higher content. The inclined and discontinuous BHO nanorods were observed in SmBCO films with BHO contents up to 3.8 vol%; they show an excellent flux pinning force density (1.5 TN m-3 at 21 T and 4.2 K) even when the magnetic field is perpendicular to the films. Based on the effective mass model for the flux pinning, the random pinning centers are dominant at low temperatures. The correlated flux pinning is stronger for aligned nanorods; however, the random pinning center becomes weaker in the 4.5 vol% BHO-doped films. Therefore, the optimal BHO doping level is approximately 3.8 vol% in terms of the amplitude of the critical current density and the anisotropy from 4.2 K to 20 K because this provides the best mixture of correlated and random flux pinning centers.

Synthesis and an X-ray diffraction study of Rb{sub 2}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serezhkina, L. B., E-mail: Lserezh@ssu.samara.ru; Peresypkina, E. V.; Neklyudova, N. A.

2010-09-15

The synthesis and X-ray diffraction study of compound Rb{sub 2}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}], which crystallizes in the monoclinic crystal system, are performed. The unit cell parameters are as follows: a = 7.9996(6) A, b = 8.8259(8) A, c = 11.3220(7) A, {beta} = 105.394(2){sup o}, and V = 770.7(1) A{sup 3}; space group P2{sub 1}/n, Z = 2, and R{sub 1} = 0.0271. [(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}]{sup 2-} layers belonging to the AK{sub 0.5}{sup 02}T{sup 11} crystal chemical group of uranyl complexes (A = UO{sub 2}{sup 2+}, K{sup 02} = C{sub 2}O{sub 4}{sup 2-}, and T{supmore » 11} = C{sub 2}O{sub 4}{sup 2-}) are uranium-containing structural units of the crystals. The layers are connected with outer-sphere rubidium cations by electrostatic interactions.« less

Band-offsets at BaTiO3/Cu2O heterojunction and enhanced photoelectrochemical response: theory and experiment(Conference Presentation)

NASA Astrophysics Data System (ADS)

Sharma, Dipika; Satsangi, Vibha R.; Dass Kaura, Sahab; Shrivastav, Rohit; Waghmare, Umesh V.

2016-10-01

Band-offsets at BaTiO3/Cu2O heterojunction and enhanced photoelectrochemical response: theory and experiment Dipika Sharmaa, Vibha R. Satsangib, Rohit Shrivastava, Umesh V. Waghmarec, Sahab Dassa aDepartment of Chemistry, Dayalbagh Educational Institute, Agra-282 110 (India) bDepartment of Physics and Computer Sciences, Dayalbagh Educational Institute, Agra-282 110 (India) cTheoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore-560 064 (India) * Phone: +91-9219695960. Fax: +91-562-2801226. E-mail: drsahabdas@gmail.com. Study on photoelectrochemical activity of pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction has been carried out using DFT based band offsets and charge carriers effective mass calculations and their experimental verification. The results of DFT calculations show that BaTiO3 and Cu2O have staggered type band alignment after the heterojunction formation and high mobility of electrons in Cu2O as compared to the electrons in BaTiO3. Staggered type band edges alignment and high mobility of electrons and holes improved the separation of photo-generated charge carriers in BaTiO3/Cu2O heterojunction. To validate the theoretical results experiments were carried out on pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction with varying thickness of Cu2O. All samples were characterized by X- Ray Diffractometer, SEM and UV-Vis spectrometry. Nanostructured thin films of pristine BaTiO3, Cu2O and BaTiO3/Cu2O heterojunction were used as photoelectrode in the photoelectrochemical cell for water splitting reaction. Maximum photocurrent density of 1.44 mA/cm2 at 0.90 V/SCE was exhibited by 442 nm thick BaTiO3/Cu2O heterojunction photoelectrode Increased photocurrent density and enhanced photoconversion efficiency, exhibited by the heterojunction may be attributed to improved conductivity and enhanced separation of the photogenerated carriers at the BaTiO3/Cu2O interface. The experimental results and first

Charging Properties of Cassiterite (alpha-SnO2) Surfaces in NaCl and RbCl Ionic Media.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, Lukas

2009-01-01

The acid-base properties of cassiterite ({alpha}-SnO{sub 2}) surfaces at 10-50 C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH range of 4.0-4.5 under all conditions, and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical molecular dynamics (MD) simulations, was analyzed in detail, and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated thatmore » the terminal SnOH{sub 2} group is more acidic than the bridging Sn{sub 2}OH group, with protonation constants (log K{sub H}) of 3.60 and 5.13 at 25 C, respectively. This is contrary to the situation on the isostructural {alpha}-TiO{sub 2} (rutile), apparently because of the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na{sup +} and Rb{sup +}, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, whereas adsorbed rubidium ions form comparable numbers of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na{sup +} between the different complexes shows a considerable dependence on the surface charge density (pH), whereas the distribution of adsorbed Rb{sup +} is almost independent of pH. A surface complexation model (SCM) capable of accurately describing both the measured surface charge and the MD-predicted speciation of adsorbed Na{sup +}/Rb{sup +} was formulated. According to the SCM, the deprotonated terminal group (SnOH{sup -0.40}) and the protonated bridging group (Sn{sub 2}OH{sup +0.36}) dominate the surface speciation over the entire pH range of this study (2

Ho3+/Yb3+ co-doped TeO2-BaF2-Y2O3 glasses for ∼1.2 μm laser applications

NASA Astrophysics Data System (ADS)

Wang, Shunbin; Li, Chengzhi; Yao, Chuanfei; Jia, Shijie; Jia, Zhixu; Qin, Guanshi; Qin, Weiping

2017-02-01

Intense ∼1.2 μm fluorescence is observed in Ho3+/Yb3+ co-doped TeO2-BaF2-Y2O3 glasses under 915 nm laser diode excitation. The 1.2 μm emission can be ascribed to the transition 5I6→5I8 of Ho3+. With the introducing of BaF2, the content of OH in the glasses drops markedly, and the 1.2 μm emission intensity increases gradually as increasing the concentration percentage of BaF2. Furthermore, microstructured fibers based on the TeO2-BaF2-Y2O3 glasses are fabricated by using a rod-in-tube method, and a relative positive gain of ∼9.42 dB at 1175.3 nm is obtained in a 5 cm long fiber.

Site-selective doping and superconductivity in (La1-yPry)(Ba2-xLax)Cu3O7+δ

NASA Astrophysics Data System (ADS)

Mitzi, D. B.; Feffer, P. T.; Newsam, J. M.; Webb, D. J.; Klavins, P.; Jacobson, A. J.; Kapitulnik, A.

1988-10-01

Samples in the quaternary system (La1-yPry)(Ba2-xLax)Cu3O7+δ have been prepared and characterized using x-ray and neutron diffraction, thermogravimetric analysis, and transport and magnetic measurements. Pr substitutes on the oxygen-depleted La layers for y>0.0, while La substitutes on the Ba sites for x>0.0. The effect of doping on each site is inferred to be primarily local, affecting immediately adjacent Cu-O layers. The similar suppression of superconductivity that accompanies doping on each of the two distinct sites apparently correlates with the degree of oxidation of the Cu-O sheets (and not the chains), indicating that the sheets support the high temperature superconductivity. Comparison of orthorhombic and tetragonal samples with similar Ba:La ratios (and y=0) demonstrates that the orthorhombic phase yields the largest Meissner signals and highest transition temperatures in the La(Ba2-xLax)Cu3O7+δ system. The effect on superconductivity of oxygen-vacancy configuration in the Cu-O chain layers is proposed to derive, indirectly, from their influence on the Cu-O sheets. In addition, optimally superconducting La(Ba2-xLax)Cu3O7+δ samples exhibit interesting normal-state magnetic properties, with a paramagnetic susceptibility that decreases steadily with temperature between 350 K and Tc.

Switching characteristics of (Bi 1/2Na 1/2)TiO 3-BaTiO 3-(Bi 1/2K 1/2)TiO 3 lead-free ferroelectric ceramics

NASA Astrophysics Data System (ADS)

Shieh, J.; Wu, K. C.; Chen, C. S.

2007-04-01

The polarization switching characteristics of lead-free a(Bi 1/2Na 1/2)TiO 3-bBaTiO 3-c(Bi 1/2K 1/2)TiO 3 (abbreviated as BNBK 100a/100b/100c) ferroelectric ceramics are investigated. This is achieved through examining their polarization and strain hystereses inside and outside the morphotropic phase boundary (MPB). The total induced electrostrain (ɛ 33,total) and apparent piezoelectric charge coefficient (d 33) first increase dramatically and then decrease gradually as the BNBK composition moves from the tetragonal phase to the MPB and then to the rhombohedral phase. The measured polarization hystereses indicate that the BNBK compositions situated near the rhombohedral side of the MPB typically possess higher coercive field (E c) and remanent polarization (P r), while the compositions situated near the tetragonal side of the MPB possess higher apparent permittivity. Adverse effects on the ferroelectric properties are observed when BNBK is doped with donor dopants such as La and Nb. On the contrary, intricate hysteresis behaviors are observed when acceptor dopant Mn is introduced into BNBK. Under an alternating electric field of +/-5.0 MVm -1, BNBK 85.4/2.6/12, a composition well within the MPB, exhibits an ɛ 33,total of ~0.14%, an apparent d 33 of 295 pCN -1, an E c of 2.5 MVm -1 and a Pr of 22.5 μCcm -2. These notable ferroelectric property values suggest a candidate material for lead-free actuator applications. The present study provides a systematic set of hysteresis measurements which can be used to characterize the switching behaviors of BNBK-based lead-free ferroelectrics.

Compositions of supersaturated solutions for enhanced growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and K(H{sub x}D{sub 1-x}){sub 2}PO{sub 4} single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soboleva, L. V., E-mail: afkonst@ns.crys.ras.ru

2008-05-15

The possibility of determining the optimal compositions and temperatures of supersaturated solutions for enhanced growth of single crystals of congruently and incongruently dissolving solid phases from the solubility diagrams of ternary systems is shown, and this approach is justified. The NiSO{sub 4}-H{sub 2}SO{sub 4}-H{sub 2}O, Me{sub 2}SO{sub 4}-NiSO{sub 4}-H{sub 2}O, and Me{sub 2}O-P{sub 2}O{sub 5}-H{sub 2}O(D{sub 2}O) systems have been used to determine the optimal compositions and temperatures of supersaturated solutions for growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and Kmore » (H{sub x} D{sub 1-x}){sub 2}PO{sub 4} (D is deuterium) single crystals.« less

Multielectron spectroscopy: energy levels of K n+ and Rb n+ ions (n = 2, 3, 4)

NASA Astrophysics Data System (ADS)

Khalal, M. A.; Soronen, J.; Jänkälä, K.; Huttula, S.-M.; Huttula, M.; Bizau, J.-M.; Cubaynes, D.; Guilbaud, S.; Ito, K.; Andric, L.; Feng, J.; Lablanquie, P.; Palaudoux, J.; Penent, F.

2017-11-01

A magnetic bottle time-of-flight spectrometer has been used to perform spectroscopy of K n+ and Rb n+ states with ionization degrees n of 2, 3 and 4. Energy levels are directly measured by detecting in coincidence the n electrons that are emitted as a result of single photon absorption. Experimental results are compared with the energies from the NIST atomic database and ab initio multiconfiguration Dirac-Fock calculations. Previously unidentified 3p 4(3P)3d 1 4D energy levels of K2+ are assigned.

Redetermination of clinobaryl­ite, BaBe2Si2O7

PubMed Central

Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong

2012-01-01

Clinobaryl­ite, ideally BaBe2Si2O7 (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl­ite. It belongs to a group of compounds characterized by the general formula BaM 2+ 2Si2O7, with M 2+ = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl­ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl­ite can be considered as a framework of BeO4 and SiO4 tetra­hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO4 tetra­hedra share corners, forming chains parallel to the c axis, which are inter­linked by the Si2O7 units oriented parallel to the a axis. The Ba2+ cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si—Obr (bridging O atom, at site symmetry m..) bond length, the Si—Onbr (non-bridging O atoms) bond lengths, and the Si—O—Si angle within the Si2O7 unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373–384]. PMID:23125568

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

DOE PAGES

Li, Yuwei; Zhang, Lijun; Singh, David J.

2017-10-16

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yuwei; Zhang, Lijun; Singh, David J.

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

Synthesis and characterization of new fluoride-containing manganese vanadates A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.

2016-09-15

Large single crystals of A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}VO{sub 4}F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO{sub 4}F{sub 2} building blocks. The A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains ofmore » edge-sharing MnO{sub 4}F{sub 2} units running along the a-axis, and interconnected through V{sub 2}O{sub 7} pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn{sup 2+} indicated that Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} is antiferromagnetic with a Neél temperature, T{sub N}=~3 K and a Weiss constant, θ, of −11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2}. Mn{sub 2}(VO{sub 4})F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn{sup 2+}. These interpenetrating chains are additionally connected through isolated VO{sub 4} tetrahedra to form the condensed structure. - Graphical abstract: New vanadate fluorides A{sub 2}Mn{sub 2}V{sub 2}O{sub 7}F{sub 2} (A=Rb, Cs) and Mn{sub 2}(VO{sub 4})F have been synthesized hydrothermally. Upon cooling, the one-dimensional Mn(II) substructure results in

Direct Observation of Pressure-Driven Valence Electron Transfer in Ba 3 BiRu 2 O 9 , Ba 3 BiIr 2 O 9 , and Ba 4 BiIr 3 O 12

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blanchard, Peter E. R.; Chapman, Karena W.; Heald, Steve M.

The hexagonal perovskites Ba3BiIr2O9, Ba3BiRu2O9 and Ba4BiIr3O12 all undergo pressure-induced 1% volume collapses above 5 GPa. These first-order transitions have been ascribed to internal transfer of valence electrons between bismuth and iridium/ruthenium, which is driven by external applied pressure because the reduction in volume achieved by emptying the 6s shell of bismuth upon oxidation to Bi5+ is greater in magnitude than the increase in volume by reducing iridium or ruthenium. Here, we report direct observation of these valence transfers for the first time, using high-pressure X-ray absorption near-edge spectroscopy (XANES) measurements. Our data also support the highly unusual “4+” nominalmore » oxidation state of bismuth in these compounds, although the possibility of local disproportionation into Bi3+/Bi5+ cannot be definitively ruled out. Ab initio calculations reproduce the transition, support its interpretation as a valence electron transfer from Bi to Ir/Ru, and suggest that the high-pressure phase may show metallic behavior (in contrast to the insulating ambient-pressure phase).« less

Magnetization and transport properties of silver-sheathed (Hg, Re)Ba2Ca2Cu3O8+delta tapes

NASA Astrophysics Data System (ADS)

Su, J. H.; Sastry, P. V. P. S. S.; Schwartz, J.

2003-10-01

(Hg, Re)Ba2Ca2Cu3O8+delta ((Hg, Re)-1223) samples have been fabricated by wrapping Re0.2Ba2Ca2Cu3Oy precursor powder within Ag foil and pressing or rolling. The Ag/precursor composite is then reacted with CaHgO2 in sealed reaction tubes. X-ray diffraction (XRD) patterns showed only one superconducting phase, (Hg, Re)-1223, in agreement with magnetization measurements showing an onset critical temperature (Tc) of 132 K. The magnetization properties were studied by dc magnetic measurements. The irreversibility line (Hirr), deduced from magnetization hysteresis loops, is approximated by a power law, Hirr ~ (1 - T/Tc)n, with n ~ 2.5, indicating moderate coupling between CuO2 layers compared to YBa2Cu3O7 (n ~ 1.5) and Bi/Tl-based superconductors (n ~ 5.5). The temperature dependence of the magnetization hysteresis loop width DeltaM showed three regimes, dominated by weak links at low temperature (regime I), thermally activated depinning of vortices at intermediate temperature (regime II) and giant flux creep at high temperature (regime III), respectively. Two field dependences were found in the intragrain critical current density (Jmagc) versus applied field at various temperatures: a weak one at lower temperature (leq50 K) and a stronger one at high temperature (geq65 K), indicating a transition from vortex lattice to vortex liquid in the tapes. The transport critical current density (Jtranc) of ~3 × 103 A cm-2 at 4.2 K and self-field was comparable to those for bulk Hg-based superconductors, indicating granular nature of the samples, which was confirmed further by XRD, scanning electron microscopy (SEM) and magneto-optical imaging (MOI).

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.

Enhanced strain effect of aged acceptor-doped BaTiO3 ceramics with clamping domain structures

NASA Astrophysics Data System (ADS)

Wang, Lei; Zhou, Zhiyong; Zhao, Xiaobo; Liu, Zhen; Liang, Ruihong; Dong, Xianlin

2017-03-01

A clamping domain structure is proposed to improve the amount of non-180° domain switching in BaTiO3 based piezoelectric ceramics. Experimental results show a large unipolar strain of 0.23% at 5 kV/mm in aged 0.5 mol. % Mn doped BaTiO3 ceramics with clamping domain structures, and the normalized strain (d33*= Smax/Emax) reaches 600 pm/V at low electric fields of 2 or 3 kV/mm. In contrast, pure BaTiO3 ceramics with clamping domain structures exhibit no clear polarization constriction or strain enhancement at 3 kV/mm. Electron paramagnetic resonance spectra verify the existence of titanium vacancies, Mn2+ and Mn4+, in 0.5 mol. % Mn doped BaTiO3 ceramics. These results indicate that the enhanced strain effect can be attributed to the combined effect of the clamping domain structure and stabilization of defect dipoles. This method provides a general way to obtain large strain in ferroelectrics.

Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).

PubMed

Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua

2015-03-28

A series of alkali metal magnesium tungstates, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs), were synthesized from a high temperature solution, and their structures were determined by single-crystal X-ray diffraction. Interestingly, Na4Mg(WO4)3 crystallizes in the monoclinic space group C2/c, while K4Mg(WO4)3 having an identical stoichiometry with Na4Mg(WO4)3, exhibits a different framework structure belonging to triclinic symmetry with the space group P1[combining macron]. Isostructural Rb2Mg2(WO4)3 and Cs2Mg2(WO4)3 crystallize in the space group P213 of cubic symmetry and reveal a three dimensional framework composed of isolated WO4 tetrahedra, MgO6 octahedra and RO12 (R = Rb, Cs) polyhedra. The effect of the alkali metal cation size on the framework structures of magnesium tungstate has been discussed in detail. In addition, the infrared spectra, as well as the UV-Vis-NIR diffuse reflectance spectroscopy data, are reported. The first-principles theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties.

Effect of H2O on the morphological changes of KNO3 formed on K2O/Al2O3 NOx storage materials: Fourier transform infra-red (FTIR) and time-resolved x-ray diffraction (TR-XRD) studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Do Heui; Mudiyanselage, Kumudu K.; Szanyi, Janos

Based on combined FTIR and XRD studies, we report here that H2O induces a morphological change of KNO3 species formed on model K2O/Al2O3 NOx storage-reduction catalysts. Specifically as evidenced by FTIR, the contact of H2O with NO2 pre-adsorbed on K2O/Al2O3 promotes the transformation from bidentate (surface-like) KNO3 species to ionic (bulk-like) ones irrespective of K loadings. Once H2O is removed from the sample, a reversible transformation into bidentate KNO3 is observed, demonstrating a significant dependence of H2O on such morphological changes. TR-XRD results show the formation of two different types of bulk KNO3 phases (orthorhomobic and rhombohedral) in an as-impregnatedmore » sample. Once H2O begins to desorb above 400 K, the former is transformed into the latter, resulting in the existence of only the rhombohedral KNO3 phase. On the basis of consistent FTIR and TR-XRD results, we propose a model for the morphological changes of KNO3 species with respect to NO2 adsorption/desorption, H2O and/or heat treatments. Compared with the BaO/Al2O3 system, K2O/Al2O3 shows some similarities with respect to the formation of bulk nitrates upon H2O contact. However, there are significant differences that originate from the lower melting temperature of KNO3 relative to Ba(NO3)2.« less

Comparative study of flux pinning, creep and critical currents between YBaCuO crystals with and without Y2BaCuO5 inclusions

NASA Technical Reports Server (NTRS)

Murakami, Masato; Gotoh, Satoshi; Fujimoto, Hiroyuki; Koshizuka, Naoki; Tanaka, Shoji

1991-01-01

In the Y-Ba-Cu-O system, YBa2Cu3O(x) phase is produced by the following peritectic reaction: Y2BaCuO5 + liquid yields 2YBa2Cu3O(x). Through the control of processing conditions and starting compositions, it becomes possible to fabricate large crystals containing fine Y2BaCuO5(211) inclusions. Such crystals exhibit Jc values exceeding 10000 A/sq cm at 77 K and 1T. Recently, researchers developed a novel process which can control the volume fraction of 211 inclusions. Elimination of 211 inclusions is also possible. In this study, researchers prepared YBaCuO crystals with and without 211 inclusions using the novel process, and compared flux pinning, flux creep and critical currents. Magnetic field dependence of Jc for YBaCuO crystals with and with 211 inclusions is shown. It is clear that fine 211 inclusions can contribute to flux pinning. It was also found that flux creep rate could be reduced by increasing flux pinning force. Critical current density estimates based on the conventional flux pinning theory were in good agreement with experimental results.