Different Topological Quantum States in Ternary Zintl compounds: BaCaX (X = Si, Ge, Sn and Pb)

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

Wang, Lin-Lin; Kaminski, Adam; Canfield, Paul C.

Topological quantum states require stringent combination of crystal symmetry and spin–orbit coupling (SOC) strength. Here in this paper, we report that the ternary Zintl compound series BaCaX (X = Si, Ge, Sn and Pb, Group IV) in the same crystal structure having eight valence electrons per formula unit can host two different topological quantum phases, controlled by atomic size and SOC strength. BaCaSi is a nodal-line semimetal (NLSM) with band inversion protected by mirror symmetry and hosts a strong topological insulator (TI) state when SOC is turned on, thus, a NLSM-TI phase. Moving to larger atomic sizes and heavier atoms,more » BaCaGe and BaCaSn are normal insulators (NIs); then, with the strongest SOC in BaCaPb, a different band inversion is induced, giving a strong TI phase without the need of NLSM. Thus, we also predict two types of topological transitions in a phase diagram for BaCaX: (1) NLSM-TI to NI, then to TI by tuning atomic size and SOC strength via alloying, and (2) NI or TI to NLSM-TI via pressure.« less

Different Topological Quantum States in Ternary Zintl compounds: BaCaX (X = Si, Ge, Sn and Pb)

DOE PAGES

Wang, Lin-Lin; Kaminski, Adam; Canfield, Paul C.; ...

2017-12-14

Topological quantum states require stringent combination of crystal symmetry and spin–orbit coupling (SOC) strength. Here in this paper, we report that the ternary Zintl compound series BaCaX (X = Si, Ge, Sn and Pb, Group IV) in the same crystal structure having eight valence electrons per formula unit can host two different topological quantum phases, controlled by atomic size and SOC strength. BaCaSi is a nodal-line semimetal (NLSM) with band inversion protected by mirror symmetry and hosts a strong topological insulator (TI) state when SOC is turned on, thus, a NLSM-TI phase. Moving to larger atomic sizes and heavier atoms,more » BaCaGe and BaCaSn are normal insulators (NIs); then, with the strongest SOC in BaCaPb, a different band inversion is induced, giving a strong TI phase without the need of NLSM. Thus, we also predict two types of topological transitions in a phase diagram for BaCaX: (1) NLSM-TI to NI, then to TI by tuning atomic size and SOC strength via alloying, and (2) NI or TI to NLSM-TI via pressure.« less

Coral Ba/Ca and Mn/Ca ratios as proxies of precipitation and terrestrial input at the eastern offshore area of Hainan Island

NASA Astrophysics Data System (ADS)

Jiang, Qiaowen; Cao, Zhimin; Wang, Daoru; Li, Yuanchao; Wu, Zhongjie; Ni, Jianyu

2017-12-01

Geochemical ratios in coral reef skeletons could be used as proxies to reconstruct past climatological and environmental records in data-poor regions. Using a 103-year data set (1902 to 2005), the annual variations in Ba/Ca and Mn/Ca ratios of Porites lutea skeletons at an eastern offshore area of Hainan Island (19°12´28.4´´N, 110°37´38.8´´E) were analyzed using inductively coupled plasma-optic emission spectrometry (ICP-OES). The analysis results showed that Ba/Ca ratios varied from a minimum of 3.120 μmol mol-1 in 1903 to a maximum of 10.064 μmol mol-1 in 1944, with an average of 5.256 μmol mol-1. Mn/Ca ratios varied from 0.206 to 5.708 μmol mol-1 with an annual average of 1.234 μmol mol-1, with peak values in 2001, 1964 and 1932, that correlated with strong rainfall events caused by typhoons. Variation in Ba/Ca and Mn/Ca ratios were compared with available river discharge and precipitation records, providing insight into past climatological events. Human activities and their indirect effects could impact the strength of the relationship between Ba/Ca and Mn/Ca ratios and observed precipitation and terrestrial input in the future.

New insights into the application of the valence rules in Zintl phases—Crystal and electronic structures of Ba{sub 7}Ga{sub 4}P{sub 9}, Ba{sub 7}Ga{sub 4}As{sub 9}, Ba{sub 7}Al{sub 4}Sb{sub 9}, Ba{sub 6}CaAl{sub 4}Sb{sub 9}, and Ba{sub 6}CaGa{sub 4}Sb{sub 9}

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

He, Hua; Stoyko, Stanislav; Bobev, Svilen, E-mail: bobev@udel.edu

Crystals of three new ternary pnictides—Ba{sub 7}Al{sub 4}Sb{sub 9}, Ba{sub 7}Ga{sub 4}P{sub 9}, and Ba{sub 7}Ga{sub 4}As{sub 9} have been prepared by reactions of the respective elements in molten Al or Pb fluxes. Single-crystal X-ray diffraction studies reveal that the three phases are isotypic, crystallizing in the orthorhombic Ba{sub 7}Ga{sub 4}Sb{sub 9}-type structure (space group Pmmn, Pearson symbol oP40, Z=2), for which only the prototype is known. The structure is based on TrPn{sub 4} tetrahedra (Tr=Al, Ga; Pn=P, As, Sb), connected in an intricate scheme into 1D-ribbons. Long interchain Pn–Pn bonds (d{sub P–P}>3.0 Å; d{sub As–As}>3.1 Å; d{sub Sb–Sb}>3.3 Å)more » account for the realization of 2D-layers, separated by Ba{sup 2+} cations. Applying the classic valance rules to rationalize the bonding apparently fails, and Ba{sub 7}Ga{sub 4}Sb{sub 9} has long been known as a metallic Zintl phase. Earlier theoretical calculations, both empirical and ab-initio, suggest that the possible metallic properties originate from filled anti-bonding Pn–Pn states, and the special roles of the “cations” in this crystal structure. To experimentally probe this hypothesis, we sought to synthesize the ordered quaternary phases Ba{sub 6}CaTr{sub 4}Sb{sub 9} (Tr=Al, Ga). Single-crystal X-ray diffraction work confirms Ba{sub 6.145(3)}Ca{sub 0.855}Al{sub 4}Sb{sub 9} and Ba{sub 6.235(3)}Ca{sub 0.765}Ga{sub 4}Sb{sub 9}, with Ca atoms preferably substituting Ba on one of the three available sites. The nuances of the five crystal structures are discussed, and the chemical bonding in Ba{sub 7}Ga{sub 4}As{sub 9} is interrogated by tight-binding linear muffin-tin orbital calculations. - Graphical abstract: The new Zintl phases—Ba{sub 7}Al{sub 4}Sb{sub 9}, Ba{sub 7}Ga{sub 4}P{sub 9}, and Ba{sub 7}Ga{sub 4}As{sub 9}, and their quaternary variants Ba{sub 6}CaTr{sub 4}Sb{sub 9} (Tr=Al, Ga)—crystallize in the Ba{sub 7}Ga{sub 4}Sb{sub 9} structure type. The structures

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

NASA Astrophysics Data System (ADS)

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

2016-08-01

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

Is BaCr 2 As 2 symmetrical to BaFe 2 As 2 with respect to half 3 d shell filling?

DOE PAGES

Richard, P.; van Roekeghem, A.; Lv, B. Q.; ...

2017-05-25

We have performed an angle-resolved photoemission spectroscopy study of BaCr 2As 2, which has the same crystal structure as BaFe2As2, a parent compound BaFe 2As 2 of Fe-based superconductors. We determine the Fermi surface of this material and its band dispersion down to 5 eV below the Fermi level. Very moderate band renormalization (1.35) is observed for only two bands. We attribute this small renormalization to enhanced direct exchange as compared to Fe in BaFe 2As 2, and to a larger contribution of the eg orbitals in the composition of the bands forming the Fermi surface.

Phase equilibria, crystal structures, and dielectric anomaly in the BaZrO 3-CaZrO 3 system

NASA Astrophysics Data System (ADS)

Levin, Igor; Amos, Tammy G.; Bell, Steven M.; Farber, Leon; Vanderah, Terrell A.; Roth, Robert S.; Toby, Brian H.

2003-11-01

Phase equilibria in the (1- x)BaZrO 3- xCaZrO 3 system were analyzed using a combination of X-ray and neutron powder diffraction, and transmission electron microscopy. The proposed phase diagram features two extended two-phase fields containing mixtures of a Ba-rich cubic phase and a tetragonal, or orthorhombic Ca-rich phase, all having perovskite-related structures. The symmetry differences in the Ca-rich phases are caused by different tilting patterns of the [ZrO 6] octahedra. In specimens quenched from 1650°C, CaZrO 3 dissolves only a few percent of Ba, whereas the solubility of Ca in BaZrO 3 is approximately 30 at% . The BaZrO 3-CaZrO 3 system features at least two tilting phase transitions, Pm3 m→ I4/ mcm and I4/ mcm→ Pbnm. Rietveld refinements of the Ba 0.8Ca 0.2ZrO 3 structure using variable-temperature neutron powder diffraction data confirmed that the Pm3 m→ I4/ mcm transition corresponds to a rotation of octahedra about one of the cubic axes; successive octahedra along this axis rotate in opposite directions. In situ variable-temperature electron diffraction studies indicated that the transition temperature increases with increasing Ca-substitution on the A-sites, from approximately -120°C at 5 at% Ca to 225°C at 20 at% Ca. Dielectric measurements revealed that the permittivity increases monotonically from 36 for BaZrO 3 to 53 for Ba 0.9Ca 0.1ZrO 3, and then decreases to 50 for Ba 0.8Ca 0.2ZrO 3. This later specimen was the Ca-richest composition for which pellets could be quenched from the single-phase cubic field with presently available equipment. Strongly non-monotonic behavior was also observed for the temperature coefficient of resonant frequency; however, in this case, the maximum occurred at a lower Ca concentration, 0.05⩽ x⩽0.1. The non-linear behavior of the dielectric properties was attributed to two competing structural effects: a positive effect associated with substitution of relatively small Ca cations on the A-sites, resulting

CR@BaSO4: an acid rain-indicating material.

PubMed

Gao, Hong-Wen; Xu, Xin-Hui

2011-12-28

The CR@BaSO(4) hybrid was synthesized, characterized and used as an acid rain-indicating (ARI) material. A painted ARI umbrella was discolored after exposure to simulated acid rain of pH 5 or less and returned to the initial color after the rain stopped. Such a functionalized material may make acid rain visual to remind people in real-time. This journal is © The Royal Society of Chemistry 2011

Metal (Ca, Ba, Sr, Pb) heptafluorotantalates(V): Synthesis, Raman spectra and crystal structures

NASA Astrophysics Data System (ADS)

Bunič, Tina; Tramšek, Melita; Goreshnik, Evgeny; Žemva, Boris

2007-01-01

MTaF 7 (M = Ca, Sr, Ba, Pb) were prepared by the reaction of MF 2 + Ta + F 2 (Ca, Sr, Ba) or MF 2 + TaF 5 in anhydrous HF. CaTaF 7 crystallizes in a monoclinic P2 1/ a space group, a = 9.793(3) Å, b = 11.608(3) Å, c = 13.359(4) Å, β = 90.539(13)°, V = 1518.5(7) Å 3. All Ta atoms possess distorted pentagonal-bipyramidal environment with Ta-F distances of 1.878(14)-2.044(13) Å. Three crystallographically independent Ca atoms have coordination number 8. Ca-F distances lie in the range of 2.239(16)-2.836(17) Å. Each Ca 2+ and TaF 72- moiety is bonded to 6 counter-ions. BaTaF 7 crystallizes in a cubic system, space group Pa3¯,a = 9.9009(3)Å, V = 970.56(5) Å 3. Coordination sphere around Ta atom is mono-capped trigonal prism with a Ta-F distance of 1.916(5)-2.004(5) Å. Two crystallographically independent barium atoms have different coordination numbers: for Ba1 C.N. is 12 with Ba1-F distances of 6 × 2.761(5) Å and 6 × 2.858(5) Å, for Ba2 C.N. is 14 with Ba2-F bond lengths 6 × 2.718(5), 2 × 2.814(8) and 6 × 3.236(5) Å. Ba 2+ and TaF 72- moieties are bonded to 8 neighbors. Isostructural PbTaF 7 and SrTaF 7 appear to be monoclinic, space group P2 1/ m, a = 4.8657(11) Å, b = 7.2298(16) Å, c = 6.7370(16) Å, β = 93.932(13)°, V = 236.44(9) Å 3 for PbTaF 7, and a = 4.875(3) Å, b = 7.196(4) Å, c = 6.7218(13) Å, β = 94.265(10), V = 235.2(2) Å for SrTaF 7. Tantalum coordination polyhedron may be described as a distorted mono-capped trigonal prism with the capping atom located on one of the rectangular faces with Ta-F distances of 1.868(3)-1.982(3) Å (PbTaF 7) and 1.908(16)-2.019(12) Å (SrTaF 7). Lead (or strontium) atoms are 9-coordinated and may be viewed as strongly distorted tri-capped trigonal prism, Pb-F 2.438(4)-2.669(3) Å, Sr-F 2.501(19)-2.860(19) Å. Each cation is connected to 8 anions.

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

USGS Publications Warehouse

Bullen, Thomas D.; Chadwick, Oliver A.

2016-01-01

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

Study of the electronic structure and half-metallicity of CaMnO3/BaTiO3 superlattice

NASA Astrophysics Data System (ADS)

Wang, Kai; Jiang, Wei; Chen, Jun-Nan; Huang, Jian-Qi

2016-09-01

In this paper, the electronic structure, magnetic properties and half-metallicity of the CaMnO3/BaTiO3 superlattice are investigated by employing the first-principle calculation based on density functional theory within the GGA or GGA + U exchange-correlation functional. The CaMnO3/BaTiO3 superlattice is constructed by the cubic CaMnO3 and the tetragonal ferroelectric BaTiO3 growing alternately along (0 0 1) direction. The cubic CaMnO3 presents a robust half-metallicity and a metastable ferromagnetic phase. Its magnetic moment is an integral number of 3.000 μB per unit cell. However, the CaMnO3/BaTiO3 superlattice has a stable ferromagnetic phase, for which the magnetic moment is 12.000 μB per unit cell. It also retains the robust half-metallicity which mainly results from the strong hybridization between Mn and O atoms. The results show that the constructed CaMnO3/BaTiO3 superlattice exhibits superior magnetoelectric properties. It may provide a theoretical reference for the design and preparation of new multiferroic materials.

Using coral Ba/Ca records to investigate seasonal to decadal scale biogeochemical cycling in the surface and intermediate ocean.

NASA Astrophysics Data System (ADS)

LaVigne, M.; Cobb, K. M.; DeLong, K. L.; Freiberger, M. M.; Grottoli, A. G.; Hill, T. M.; Miller, H. R.; Nurhati, I. S.; Richey, J. N.; Serrato Marks, G.; Sherrell, R. M.

2016-12-01

Dissolved barium (BaSW), a bio-intermediate element, is linked to several biogeochemical processes such as the cycling and export of nutrients, organic carbon (Corg), and barite in surface and intermediate oceans. Dynamic BaSW cycling has been demonstrated in the water column on short timescales (days-weeks) while sedimentary records have documented geologic-scale changes in barite preservation driven by export production. Our understanding of how seasonal-decadal scale climate variability impacts these biogeochemical processes currently lacks robust records. Ba/Ca calibrations in surface and deep sea corals suggest barium is incorporated via cationic substitution in both aragonite and calcite. Here we demonstrate the utility of Ba/Ca for reconstructing biogeochemical variability using examples of surface and deep sea coral records. Century-long deep sea coral records from the California Current System (bamboo corals: 900-1500m) record interannual variations in Ba/Ca, likely reflecting changes in barite formation via bacterial Corg respiration or barite saturation state. A surface Porites coral Ba/Ca record from Christmas Island (central equatorial Pacific: 1978-1995) shows maxima during low productivity El Niño warm periods, suggesting that variations in BaSW are driven by biological removal via direct cellular uptake or indirectly via barite precipitation with the decomposition of large phytoplankton blooms at this location. Similarly, a sixteen-year long Siderastera siderea surface coral record from Dry Tortugas, FL (Gulf of Mexico: 1991-2007) shows seasonal Ba/Ca cycles that align with annual chlorophyll and δ13C. Taken together, these records demonstrate the linkages among Corg, nutrient cycling and BaSW in the surface and intermediate ocean on seasonal to decadal timescales. Multi-proxy paleoceanographic reconstructions including Ba/Ca have the potential to elucidate the mechanisms linking past climate, productivity, nutrients, and BaSW cycling in the past.

Temperature dependence of positron annihilation parameters in Tl-Ba-Ca-Cu-O superconductors

NASA Astrophysics Data System (ADS)

Sundar, C. S.; Bharathi, A.; Ching, W. Y.; Jean, Y. C.; Hor, P. H.; Meng, R. L.; Huang, Z. J.; Chu, C. W.

1990-08-01

The results of positron lifetime and Doppler broadened line-shape parameter measurements as a function of temperature, across Tc, in the Tl-Ba-Ca-Cu-O superconductors are presented. The bulk lifetime in the normal state is found to decrease with the increase in the number of CuO2 layers. Different temperature dependencies of the annihilation parameters are observed in the various Tl systems containing different numbers of CuO2 layers. In the Tl2Ba2Ca2Cu3O10 system, an increase in lifetime is observed below Tc, whereas in Tl2Ba2CaCu2O8, a decrease in lifetime is seen below Tc. In the Tl2Ba2CuO6 system, the lifetime is observed to be temperature independent. The different temperature variations of positron annihilation parameters are discussed in the light of the positron density distribution, obtained with use of the results of the self-consistent orthogonalized linear combination of atomic orbitals band-structure calculations. It is argued that the different temperature dependencies of the annihilation parameters is related to the positron density distribution within the unit cell and arise due to local charge transfer in the vicinity of the CuO2 layer in the superconducting state.

Multi-proxy Reconstructions of the Eastern Equatorial Pacific: Measuring Sr/Ca, Ba/Ca, and Li/Mg in Modern Corals Using ICP-OES

NASA Astrophysics Data System (ADS)

Cheung, A. H.; Cole, J. E.; Vetter, L.; Jimenez, G.; Thompson, D. M.; Tudhope, A. W.

2017-12-01

Sea surface temperature (SST) in the Eastern Equatorial Pacific (EEP) exhibits large variability on multiple timescales. These variations are often related to modes of climate variability that exert significant influence on global climate, such as the El Niño Southern Oscillation. However, the short length and sparsity of instrumental data in the EEP limits our ability to discern changes in this region. Geochemical signals in corals can help extend instrumental data further back in time. While δ18O and Sr/Ca are the most commonly analyzed geochemical tracers of SST in corals, they often have site-specific complications. Several alternatives (e.g., Li/Mg) have been proposed to overcome these challenges, but have yet to be applied to long climate records, in part due to the cost and time required to measure these elements. Here, we develop a new method that uses Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) to analyze Li/Mg, Sr/Ca, and Ba/Ca ratios in coral aragonite. We apply this method to two Porites spp. corals collected from the northern Galapagos archipelago (Wolf and Darwin Islands). We specifically assess the fidelity of Li/Mg and Sr/Ca to reconstruct SST, and Ba/Ca to reconstruct upwelling conditions. Our results confirm that both Li/Mg and Sr/Ca track SST. We show that despite analytical noise, downcore reconstructions of Li/Mg have the potential to provide additional information about SST that is not present in reconstructions generated from Sr/Ca alone. Skeletal Ba/Ca shows little relationship with upwelling, perhaps because of the distance of our sites from the center of upwelling in the southern Galapagos. These results demonstrate the potential for analyzing Sr, Li, Ba, Mg simultaneously in corals with a cost- and time- efficient method, which may be applied to coral paleoclimate sites worldwide.

Fabrication and Characterization of (100),(001)-Oriented Reduction-Resistant Lead-Free Piezoelectric (Ba,Ca)TiO3 Ceramics Using Platelike Seed Crystals

NASA Astrophysics Data System (ADS)

Ichikawa, Hiroki; Sakamoto, Wataru; Akiyama, Yoshikazu; Maiwa, Hiroshi; Moriya, Makoto; Yogo, Toshinobu

2013-09-01

The preparation of reduction-resistant (Ba,Ca)TiO3 ceramics as lead-free piezoelectric materials was studied. To improve their electrical properties, (100),(001)-oriented (Ba0.85Ca0.15)TiO3 ceramics were fabricated by the reactive templated grain growth method using a mixture of platelike CaTiO3 and BaTiO3 particles. The platelike CaTiO3 and BaTiO3 particles were prepared through a topochemical microcrystal conversion process using CaBi4Ti4O15 and BaBi4Ti4O15 plate-like precursor crystals. The 100 orientation degree of the grain-oriented (Ba0.85Ca0.15)TiO3 ceramics was 92%, as estimated by Lotgering's equation. In addition, 1 mol % Ba excess and 1 mol % Mn-doped (Ba0.85Ca0.15)TiO3 sintered bodies, which were sintered at 1350 °C in an Ar flow containing H2 (0.3%), had sufficient resistivity to allow the characterization of electrical properties. The ferroelectric and field-induced strain properties of the (Ba0.85Ca0.15)TiO3 ceramics, sintered in the reducing atmosphere, were markedly improved as a result of fabricating grain-oriented samples. The field-induced strain coefficient (estimated from the slope of the unipolar strain loop) of the nonreducible (100),(001)-oriented (Ba0.85Ca0.15)TiO3 ceramics reached 570 pm/V, which was higher than that of polycrystals (260 pm/V) with no preferential orientation.

Defect-induced wetting on BaF 2(111) and CaF 2(111) at ambient conditions

NASA Astrophysics Data System (ADS)

Cardellach, M.; Verdaguer, A.; Fraxedas, J.

2011-12-01

The interaction of water with freshly cleaved (111) surfaces of isostructural BaF2 and CaF2 single crystals at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes and optical microscopy. Such surfaces exhibit contrasting behaviors for both materials: while on BaF2(111) two-dimensional water layers are formed after accumulation at step edges, CaF2(111) does not promote the formation of such layers. We attribute such opposed behavior to lattice match (mismatch) between hexagonal water ice and the hexagonal (111) surfaces of BaF2(CaF2). Optical microscope images reveal that this behavior also determines the way the surfaces become wetted at a macroscopic level.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Electronic, thermoelectric, and magneto-dielectric properties of Ca1-xNaxCr2O4

NASA Astrophysics Data System (ADS)

Kolodiazhnyi, Taras; Sakurai, Hiroya

2013-06-01

We report on electronic, thermoelectric, and magneto-dielectric properties of Ca1-xNaxCr2O4 series with a calcium ferrite-type structure prepared by high-pressure-high-temperature synthesis. Dielectric spectroscopy down to 2 K confirms that both CaCr2O4 and NaCr2O4 end members have an insulating ground state notwithstanding the fact that the latter compound has a mixed valence Cr3+/Cr4+ structure. A crossover from positive to negative charge carriers occurs in NaCr2O4 at T≈230 K. Partial substitution of Ca for Na brings about a change from n to p type carriers at ca. x =0.75. A strong suppression of thermal conductivity below TN=21 K was found in CaCr2O4 indicating a scattering of acoustic phonons from a long wave-length cycloidal magnetic excitations. A pronounced dielectric anomaly at Néel temperature adds CaCr2O4 to the multiferroic family of compounds. Lattice contribution to dielectric properties of NaCr2O4 at TN=125 K is screened by high electric conductivity. An onset of the magnetocapacitance above 3 T correlates with the spin-flop transition in NaCr2O4 at a critical field of 3.5 T. A strong non-saturated magnetocapacitance in this compound cannot be entirely attributed to the colossal magnetoresistance.

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

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

BaCoCa--a heuristic software tool for the parallel assessment of sequence biases in hundreds of gene and taxon partitions.

PubMed

Kück, Patrick; Struck, Torsten H

2014-01-01

BaCoCa (BAse COmposition CAlculator) is a user-friendly software that combines multiple statistical approaches (like RCFV and C value calculations) to identify biases in aligned sequence data which potentially mislead phylogenetic reconstructions. As a result of its speed and flexibility, the program provides the possibility to analyze hundreds of pre-defined gene partitions and taxon subsets in one single process run. BaCoCa is command-line driven and can be easily integrated into automatic process pipelines of phylogenomic studies. Moreover, given the tab-delimited output style the results can be easily used for further analyses in programs like Excel or statistical packages like R. A built-in option of BaCoCa is the generation of heat maps with hierarchical clustering of certain results using R. As input files BaCoCa can handle FASTA and relaxed PHYLIP, which are commonly used in phylogenomic pipelines. BaCoCa is implemented in Perl and works on Windows PCs, Macs and Linux operating systems. The executable source code as well as example test files and a detailed documentation of BaCoCa are freely available at http://software.zfmk.de. Copyright © 2013 Elsevier Inc. All rights reserved.

Selective digestion of Ba2+/Ca2+ alginate gel microdroplets for single-cell handling

NASA Astrophysics Data System (ADS)

Odaka, Masao; Hattori, Akihiro; Matsuura, Kenji; Yasuda, Kenji

2018-06-01

Cells encapsuled by polymer microdroplets are an effective platform for the identification and separation of individual cells for single-cell-based analysis. However, a key challenge is to maintain and release the captured cells in the microdroplets selectively, nondestructively, and noninvasively. We developed a simple method of encapsulating cells in alginate microdroplets having different digestion characteristics. Cells were diluted with an alginate polymer of sol state and encapsulated into microdroplets with Ba2+ and Ca2+ by a spray method. When a chelating buffer was applied, alginate gel microdroplets were digested according to the difference in chelating efficiency of linkage-divalent cations; hence, two types of alginate microdroplets were formed. Moreover, we examined the capability of the alginate gel to exchange linkage-divalent cations and found that both Ca2+ exchange in Ba-alginate microdroplets and Ba2+ exchange in Ca-alginate microdroplets occurred. These results indicate that the potential applications of a mixture of alginate microdroplets with different divalent cations control the selective digestion of microdroplets to improve the high-throughput, high-content microdroplet-based separation, analysis, or storage of single cells.

Electronic Structure of HgBa2CaCu2O(6+delta) Epitaxial films measured by x-ray Photoemission

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Rupp, M.; Gupta, A.; Tsuei, C. C.

1995-01-01

The electronic structure and chemical states of HgBa2CaCu20(sub 6 + delta), epitaxial films have been studied with x-ray photelectron spectroscopy. Signals from the superconducting phase dominate all the core-level spectra, and a clear Fermi edge is observed in the valence-band region. The Ba, Ca, Cu, and O core levels are similar to those of Tl2Ba2CaCu208(+)O(sub 6 + delta), but distinct differences are observed in the valence bands which are consistent with differences in the calculated densities of states.

Processing, electrical and microwave properties of sputtered Tl-Ca-Ba-Cu-O superconducting thin films

NASA Technical Reports Server (NTRS)

Subramanyam, G.; Kapoor, V. J.; Chorey, C. M.; Bhasin, K. B.

1993-01-01

A reproducible fabrication process has been established for TlCaBaCuO thin films on LaAlO3 substrates by RF magnetron sputtering and post-deposition processing methods. Electrical transport properties of the thin films were measured on patterned four-probe test devices. Microwave properties of the films were obtained from unloaded Q measurements of all-superconducting ring resonators. This paper describes the processing, electrical and microwave properties of Tl2Ca1Ba2Cu2O(x) 2122-plane phase thin films.

Phase controlled synthesis of (Mg, Ca, Ba)-ferrite magnetic nanoparticles with high uniformity

NASA Astrophysics Data System (ADS)

Wang, S. F.; Li, Q.; Zu, X. T.; Xiang, X.; Liu, W.; Li, S.

2016-12-01

(Mg, Ca, Ba)-ferrite magnetic nanoparticles were successfully synthesized through modifying the atomic ratio of polysaccharide and chelating agent at an optimal sintering temperature. In the process, the polysaccharide plays an important role in drastically shrinking the precursor during the gel drying process. In the metal-complex structure, M2+ ion active sites were coordinated by -OH of the water molecules except for EDTA anions. The MFe2O4 magnetic nanoparticles exhibited enhanced magnetic properties when compared with nano-MFe2O4 of similar particle size synthesized by other synthesis route reported in the literature. In particular, the sintering temperature improves the crystallinity and increases the hysteresis loop squareness ratio of (Mg, Ca, Ba)-ferrite nanoparticles significantly.

Temperature-dependent electron paramagnetic resonance detect oxygen vacancy defects and Cr valence of tetragonal Ba(Ti1-xCrx)O3 ceramics

NASA Astrophysics Data System (ADS)

Han, Dan-Dan; Lu, Da-Yong; Meng, Fan-Ling; Yu, Xin-Yu

2018-03-01

Temperature-dependent electron paramagnetic resonance (EPR) study was employed to detect oxygen vacancy defects in the tetragonal Ba(Ti1-xCrx)O3 (x = 5%) ceramic for the first time. In the rhombohedral phase below -150 °C, an EPR signal at g = 1.955 appeared in the insulating Ba(Ti1-xCrx)O3 (x = 5%) ceramic with an electrical resistivity of 108 Ω cm and was assigned to ionized oxygen vacancy defects. Ba(Ti1-xCrx)O3 ceramics exhibited a tetragonal structure except Ba(Ti1-xCrx)O3 (x = 10%) with a tetragonal-hexagonal mixed phase and a first-order phase transition dielectric behavior (ε‧m > 11,000). Mixed valence Cr ions could coexist in ceramics, form CrTi‧-VOrad rad or CrTirad-TiTi‧ defect complexes and make no contribution to a dielectric peak shift towards low temperature.

High-pressure X-ray diffraction and Raman spectroscopy of CaFe2O4-type β-CaCr2O4

NASA Astrophysics Data System (ADS)

Zhai, Shuangmeng; Yin, Yuan; Shieh, Sean R.; Shan, Shuangming; Xue, Weihong; Wang, Ching-Pao; Yang, Ke; Higo, Yuji

2016-04-01

In situ high-pressure synchrotron X-ray diffraction and Raman spectroscopic studies of orthorhombic CaFe2O4-type β-CaCr2O4 chromite were carried out up to 16.2 and 32.0 GPa at room temperature using multi-anvil apparatus and diamond anvil cell, respectively. No phase transition was observed in this study. Fitting a third-order Birch-Murnaghan equation of state to the P-V data yields a zero-pressure volume of V 0 = 286.8(1) Å3, an isothermal bulk modulus of K 0 = 183(5) GPa and the first pressure derivative of isothermal bulk modulus K 0' = 4.1(8). Analyses of axial compressibilities show anisotropic elasticity for β-CaCr2O4 since the a-axis is more compressible than the b- and c-axis. Based on the obtained and previous results, the compressibility of several CaFe2O4-type phases was compared. The high-pressure Raman spectra of β-CaCr2O4 were analyzed to determine the pressure dependences and mode Grüneisen parameters of Raman-active bands. The thermal Grüneisen parameter of β-CaCr2O4 is determined to be 0.93(2), which is smaller than those of CaFe2O4-type CaAl2O4 and MgAl2O4.

Electrical-transport properties and microwave device performance of sputtered TlCaBaCuO superconducting thin films

NASA Technical Reports Server (NTRS)

Subramanyam, G.; Kapoor, V. J.; Chorey, C. M.; Bhasin, K. B.

1992-01-01

The paper describes the processing and electrical transport measurements for achieving reproducible high-Tc and high-Jc sputtered TlCaBaCuO thin films on LaAlO3 substrates, for microelectronic applications. The microwave properties of TlCaBaCuO thin films were investigated by designing, fabricating, and characterizing microstrip ring resonators with a fundamental resonance frequency of 12 GHz on 10-mil-thick LaAlO3 substrates. Typical unloaded quality factors for a ring resonator with a superconducting ground plane of 0.3 micron-thickness and a gold ground plane of 1-micron-thickness were above 1500 at 65 K. Typical values of penetration depth at 0 K in the TlCaBaCuO thin films were between 7000 and 8000 A.

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.

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.

Ca ISOTOPE EFFECTS IN ORGUEIL LEACHATES AND THE IMPLICATIONS FOR THE CARRIER PHASES OF {sup 54}Cr ANOMALIES

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

Moynier, Frederic; Podosek, Frank A.; Brannon, Joyce

Primitive meteorites contain small {sup 40}Ca excesses, in addition to rare anomalies in {sup 48}Ca. Refractory inclusions from Vigarano and Allende have larger {sup 40}Ca and resolvable {sup 48}Ca anomalies. These results imply that Ca isotopic heterogeneities were still present in the early solar system at both the mineral and whole-rock scale. The absence of correlated Ca isotope anomalies in leachates from the CI1 chondrite Orgueil containing large {sup 54}Cr anomalies has implications on the origin of the Cr anomalies. {sup 54}Cr has to be produced either in massive stars during s-process nucleosynthesis without accompanying {sup 48}Ca or in particularmore » zones in the rare Type Ia supernovae. In the latter case, {sup 54}Cr has been produced in a zone predominantly enriched in Cr and {sup 54}Cr and not mixed with other zones, or {sup 54}Cr has been produced together with other neutron-rich nuclides and there has been subsequent decoupling of this material in the star, in the solar system, or in the laboratory.« less

Structure and colossal dielectric permittivity of Ca2TiCrO6 ceramics

NASA Astrophysics Data System (ADS)

Yan-Qing, Tan; Meng, Yan; Yong-Mei, Hao

2013-01-01

A colossal permittivity ceramic material, Ca2TiCrO6, was successfully synthesized by the conventional solid-state reaction, and was characterized by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), x-ray photoemission spectroscopy (XPS) and x-ray diffraction (XRD). Rietveld refinement of XRD data indicated that the material crystallized in orthorhombic structure with space group pbnm. SEM displayed Ca2TiCrO6 ceramic grains packed uniformly with the size range 5-20 µm. XPS analyses indicated that elemental chromium and titanium of the material were in mixed valence. The corresponding dielectric property was tested in the frequency range 1 kHz-1 MHz and the temperature range 213-453 K, and the ceramics exhibited a relaxation-like dielectric behaviour. Importantly, the permittivity of Ca2TiCrO6 could reach 80 000 at 298 K (100 Hz) and was maintained at 40 000 up to 398 K at 1 MHz, which could be attributed to the ion disorder and mixed valence of Cr3+/Cr6+ and Ti3+/Ti4+.

Multi-centennial Record of Labrador Sea Primary Productivity and Sea-Ice Variability Archived in Coralline Algal Ba/Ca

NASA Astrophysics Data System (ADS)

Chan, Phoebe; Halfar, Jochen; Adey, Walter; Hetzinger, Steffen; Zack, Thomas; Moore, Kent; Wortmann, Ulrich; Williams, Branwen; Hou, Alicia

2017-04-01

Arctic sea-ice thickness and concentration have dropped by approximately 9% per decade since 1978. Concurrent with this sea-ice decline is an increase in rates of phytoplankton productivity, driven by shoaling of the mixed layer and enhanced transmittance of solar radiation into the surface ocean. This has recently been confirmed by phytoplankton studies in Arctic and Subarctic basins that have revealed earlier timing, prolonged duration, and increased primary productivity of the spring phytoplankton bloom. However, difficulties of navigating in remote ice-laden waters and harsh polar climates have often resulted in short and incomplete records of in-situ plankton abundance in the northwestern Labrador Sea. Alternatively, information of past ocean productivity may be gained through the study of trace nutrient distributions in the surface water column. Investigations of dissolved barium (Ba) concentrations in the Arctic reveal significant depletions of Ba in surface seawaters due to biological scavenging during the spring phytoplankton bloom. Here we apply a barium-to-calcium (Ba/Ca) and carbon isotope (δ13C) multiproxy approach to long-lived crustose coralline algae in order to reconstruct an annually-resolved multi-centennial record of Labrador Sea productivity related to sea-ice variability in Labrador, Canada that extends well into the Little Ice Age (LIA; 1646 AD). The crustose coralline alga Clathromorphum compactum is a shallow marine calcareous plant that is abundant along the eastern Canadian coastline, and produces annual growth increments which allow for the precise calendar dating and geochemical sampling of hard tissue. Algal Ba/Ca ratios can serve as a promising new proxy for surface water productivity, demonstrating a close correspondence to δ13C that does not suffer from the anthropogenically-induced carbon isotope decline (ex. Suess Effect) beginning in the 1960s. Coralline algal Ba/Ca demonstrates statistically significant correlations to both

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.

Examining the utility of coral Ba/Ca as a proxy for river discharge and hydroclimate variability at Coiba Island, Gulf of Chirquí, Panamá.

PubMed

Brenner, Logan D; Linsley, Braddock K; Dunbar, Robert B

2017-05-15

Panamá's extreme hydroclimate seasonality is driven by Intertropical Convergence Zone rainfall and resulting runoff. River discharge (Q) carries terrestrially-derived barium to coastal waters that can be recorded in coral. We present a Ba/Ca record (1996-1917) generated from a Porites coral colony in the Gulf of Chiriquí near Coiba Island (Panamá) to understand regional hydroclimate. Here coral Ba/Ca is correlated to instrumental Q (R=0.67, p<0.001), producing a seasonally-resolved Reduced Major Axis regression of Ba/Ca (μmol/mol)=Q (m 3 /s)×0.006±0.001 (μmol/mol)(m 3 /s) -1 +4.579±0.151. Our results support work in the neighboring Gulf of Panamá that determined seawater Ba/Ca, controlled by Q, is correlated to coral Ba/Ca (LaVigne et al., 2016). Additionally, the Coiba coral Ba/Ca records at least 5 El Niño events and identified 22 of the 37 wet seasons with below average precipitation. These data corroborate the Q proxy and provide insight into the use of coral Ba/Ca as an El Niño and drought indicator. Copyright © 2017 Elsevier Ltd. All rights reserved.

Growth of GaN single crystals by a Ca- and Ba-added Na flux method

NASA Astrophysics Data System (ADS)

Ukegawa, H.; Konishi, Y.; Fujimori, T.; Miyoshi, N.; Imade, M.; Yoshimura, M.; Kitaoka, Y.; Sasaki, T.; Mori, Y.

2011-02-01

GaN substrates are desirable for fabricating ultra-violet LEDs and LDs, and high-power and high-frequency transistors. High-quality GaN single crystals can be obtained by using Na flux method, but the growth habit of bulk crystals must be controlled. In this study, we investigated the effects of additives (Ca, Ba) on the growth habit and impurity concentration in the crystals. The aspect ratio (c/a) of the crystals was increased by increasing the amount of additives, showing that the growth habit could be changed from the pyramidal shape to the prism shape. Ba concentration was below the detection limit (1x1015 atoms/cm3).

Correlation of Structure, Tunable Colors, and Lifetimes of (Sr, Ca, Ba)Al₂O₄:Eu2+, Dy3+ Phosphors.

PubMed

Xie, Qidi; Li, Bowen; He, Xin; Zhang, Mei; Chen, Yan; Zeng, Qingguang

2017-10-18

(Sr, Ca, Ba)Al₂O₄:Eu 2+ , Dy 3+ phosphors were prepared via a high temperature solid-state reaction method. The correlation of phase structure, optical properties and lifetimes of the phosphors are investigated in this work. For the (Sr, Ca)Al₂O₄:Eu 2+ ,Dy 3+ phosphors, the different phase formation from monoclinic SrAl₂O₄ phase to hexagonal SrAl₂O₄ phase to monoclinic CaAl₂O₄ phase was observed when the Ca content increased. The emission color of SrAl₂O₄:Eu 2+ , Dy 3+ phosphors varied from green to blue. For the (Sr, Ba)Al₂O₄:Eu 2+ , Dy 3+ phosphors, different phase formation from the monoclinic SrAl₂O₄ phase to the hexagonal BaAl₂O₄ phase was observed, along with a shift of emission wavelength from 520 nm to 500 nm. More interestingly, the decay time of SrAl₂O₄:Eu 2+ , Dy 3+ changed due to the different phase formations. Lifetime can be dramatically shortened by the substitution of Sr 2+ with Ba 2+ cations, resulting in improving the performance of the alternating current light emitting diode (AC-LED). Finally, intense LEDs are successfully obtained by combining these phosphors with Ga(In)N near UV chips.

Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-01-01

Crystals of SrMn2Sb2 and BaMn2Sb2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ , heat capacity Cp, and magnetic susceptibility χ measurements versus temperature T , and magnetization versus field M (H ) isotherm measurements. SrMn2Sb2 adopts the trigonal CaAl2Si2 -type structure, whereas BaMn2Sb2 crystallizes in the tetragonal ThCr2Si2 -type structure. The ρ (T ) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn2Sb2 and 0.16 eV for BaMn2Sb2 . The χ (T ) and Cp(T ) data reveal antiferromagnetic (AFM) ordering at TN = 110 K for SrMn2Sb2 and 450 K for BaMn2Sb2 . The anisotropic χ (T ≤TN) data also show that the ordered moments in SrMn2Sb2 are aligned in the hexagonal a b plane, whereas the ordered moments in BaMn2Sb2 are aligned collinearly along the tetragonal c axis. The a b -plane M (H ) data for SrMn2Sb2 exhibit a continuous metamagnetic transition at low fields 0 BaMn2Sb2 exhibits no metamagnetic transitions up to 5.5 T. The χ (T ) and C p(T ) data for both SrMn2Sb2 and BaMn2Sb2 indicate strong dynamic short-range AFM correlations above their respective TN up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl2Si2 and ThCr2Si2 crystal structures show that the TN values for the CaAl2Si2 -type compounds are much smaller than those for the ThCr2Si2 -type materials.

Relieving geometrical frustration through doping in the Dy1-x Ca x BaCo4O7 swedenborgites.

PubMed

Nath Panja, Soumendra; Kumar, Jitender; Dengre, Shanu; Nair, Sunil

2016-12-07

The geometrically frustrated antiferromagnet DyBaCo 4 O 7 is investigated through a combination of x-ray diffraction, magnetization and dielectric measurements. Systematic doping in the series Dy 1-x Ca x BaCo 4 O 7 causes a lifting of the geometrical frustration resulting in a structural transition from a trigonal P31c to an orthorhombic Pbn2 1 symmetry at x  =  0.4. This structural transition can also be accessed as a function of temperature, and all our orthorhombic specimens exhibit this transition at elevated temperatures. The temperature at which this structural transition occurs is observed to scale linearly with the mean ionic radius of the R site ion. However, CaBaCo 4 O 7 which has an equal number of Co 2+  and Co 3+ ions clearly violates this quasilinear relationship, indicating that charge ordering could also play a critical role in stabilizing the orthorhombic distortion in this system. Using thermoremanent magnetization measurements to circumvent the problem of the large paramagnetic background arising from Dy 3+ ions, we chart out the phase diagram of the Dy 1-x Ca x BaCo 4 O 7 series.

Fabrication and chemical composition of RF magnetron sputtered Tl-Ca-Ba-Cu-O high Tc superconducting thin films

NASA Technical Reports Server (NTRS)

Subramanyam, G.; Radpour, F.; Kapoor, V. J.; Lemon, G. H.

1990-01-01

The preparation of TlCaBaCuO superconducting thin films on (100) SrTiO3 substrates is described, and the results of their characterization are presented. Sintering and annealing the thin films in a Tl-rich ambient yielded superconductivity with a Tc of 107 K. The results of an XPS study support two possible mechanisms for the creation of holes in the TlCaBaCuO compound: (1) partial substitution of Ca(2+) for Tl(3+), resulting in hole creation, and (2) charge transfer from Tl(3+) to the CuO layers, resulting in a Tl valence between +3 and +1.

Electronic Structure of TlBa2CaCu2O(7-Delta)

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

1997-01-01

The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Cry64Ba and Cry64Ca, Two ETX/MTX2-Type Bacillus thuringiensis Insecticidal Proteins Active against Hemipteran Pests.

PubMed

Liu, Yonglei; Wang, Yinglong; Shu, Changlong; Lin, Kejian; Song, Fuping; Bravo, Alejandra; Soberón, Mario; Zhang, Jie

2018-02-01

Genetically modified crops that express insecticidal Bacillus thuringiensis (Bt) proteins have become a primary approach for control of lepidopteran (moth) and coleopteran (beetle) pests that feed by chewing the plants. However, the sap-sucking insects (Hemiptera) are not particularly susceptible to Bt toxins. In this study, we describe two Cry toxins (Cry64Ba and Cry64Ca) from Bt strain 1012 that showed toxicity against two important hemipteran rice pests, Laodelphax striatellus and Sogatella furcifera Both of these proteins contain an ETX/MTX2 domain and share common sequence features with the β-pore-forming toxins. Coexpression of cry64Ba and cry64Ca genes in the acrystalliferous Bt strain HD73 - resulted in high insecticidal activity against both hemipteran pests. No toxicity was observed on other pests such as Ostrinia furnacalis , Plutella xylostella , or Colaphellus bowringi Also, no hemolytic activity or toxicity against cancer cells was detected. Binding assays showed specific binding of the Cry64Ba/Cry64Ca toxin complex to brush border membrane vesicles isolated from L. striatellus Cry64Ba and Cry64Ca are Bt Cry toxins highly effective against hemipteran pests and could provide a novel strategy for the environmentally friendly biological control of rice planthoppers in transgenic plants. IMPORTANCE In Asia, rice is an important staple food, whose production is threatened by rice planthoppers. To date, no effective Bacillus thuringiensis (Bt) protein has been shown to have activity against rice planthoppers. We cloned two Bt toxin genes from Bt strain 1012 that showed toxicity against small brown planthoppers ( Laodelphax striatellus ) and white-backed planthoppers ( Sogatella furcifera ). To our knowledge, the proteins encoded by the cry64Ba and cry64Ca genes are the most efficient insecticidal Bt Cry proteins with activity against hemipteran insects reported so far. Cry64Ba and Cry64Ca showed no toxicity against some lepidopteran or coleopteran pests

Microstructural and optical properties of Ca and Cr doped cobalt ferrite nanoparticles synthesized by auto combustion

NASA Astrophysics Data System (ADS)

Agrawal, Shraddha; Parveen, Azra; Azam, Ameer

2018-05-01

The Ca and Cr doped cobalt ferrite nanoparticles (Co0.8Ca0.2) (Fe0.8 Cr0.2)2O4 were synthesized by auto combustion method. Microstructural studies were carried out by X-ray diffraction (XRD). The crystalline size of synthesized nanoparticles as determined by the XRD was found to be 17.6 nm. These structural studies suggest that the crystal system remains spinal even with the doping of calcium and chromium. Optical properties of Ca and Cr doped cobalt ferrite were studied by UV-visible technique in the range of 200-800 nm. The energy band gap was calculated with the help of Tauc relationship. Ca and Cr doped cobalt ferrite annealed at 600°C exhibit significant dispersion in complex permeability. The dielectric constant and dielectric loss of cobalt ferrite were studied as a function of frequency and were explained on the basis of Koop's theory based on Maxwell Wagner two layer models and electron hopping.

Antiferromagnetism in semiconducting SrMn 2 Sb 2 and BaMn 2 Sb 2 single crystals

DOE PAGES

Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.; ...

2018-01-03

Here, crystals of SrMn 2Sb 2 and BaMn 2Sb 2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ, heat capacity C p, and magnetic susceptibility χ measurements versus temperature T, and magnetization versus field M(H) isotherm measurements. SrMn 2Sb 2 adopts the trigonal CaAl 2Si 2-type structure, whereas BaMn 2Sb 2 crystallizes in the tetragonal ThCr 2Si 2-type structure. The ρ(T) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn 2Sb 2 and 0.16 eV for BaMn 2Sb 2. The χ(T) andmore » C p(T) data reveal antiferromagnetic (AFM) ordering at T N = 110 K for SrMn 2Sb 2 and 450 K for BaMn 2Sb 2. The anisotropic χ(T≤T N) data also show that the ordered moments in SrMn 2Sb 2 are aligned in the hexagonal ab plane, whereas the ordered moments in BaMn 2Sb 2 are aligned collinearly along the tetragonal c axis. The ab-plane M(H) data for SrMn 2Sb 2 exhibit a continuous metamagnetic transition at low fields 02Sb 2 exhibits no metamagnetic transitions up to 5.5 T. The χ(T) and C p(T) data for both SrMn 2Sb 2 and BaMn 2Sb 2 indicate strong dynamic short-range AFM correlations above their respective T N up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl 2Si 2 and ThCr 2Si 2 crystal structures show that the T N values for the CaAl 2Si 2-type compounds are much smaller than those for the ThCr 2Si 2-type materials.« less

Chemical spray pyrolysis of Tl-Ba-Ca-Cu-O high-T(sub c) superconductors for high-field bitter magnets

NASA Technical Reports Server (NTRS)

Derochemont, L. Pierre; Zhang, John G.; Squillante, Michael R.; Hermann, A. M.; Duan, H. M.; Andrews, Robert J.; Kelliher, Warren C.

1991-01-01

The deposition of Tl-Ba-Ca-Cu-O thick films by spray pyrolyzing a Ba-Ca-Cu-O precursor film and diffusing thallium into the film to form the superconducting phase is examined. This approach was taken to reduce exposure to thallium and its health and safety hazards. The Tl-Ba-Ca-Cu-O system was selected because it has very attractive features which make it appealing to device and manufacturing engineering. Tl-Ba-Ca-Cu-O will accommodate a number of superconducting phases. This attribute makes it very forgiving to stoichiometric fluctuations in the bulk and film. It has excellent thermal and chemical stability, and appears to be relatively insensitive to chemical impurities. Oxygen is tightly bound into the systems, consequently there is no orthorhombic (conductor) to tetragonal (insulator) transition which would affect a component's lifetime. More significantly, the thallium based superconductors appear to have harder magnetic properties than the other high-Tc oxide ceramics. Estimates using magnetoresistance measurements indicate that at 77 K Tl2Ba2CaCu2O10 will have an upper critical field, H(sub c2) fo 26 Tesla for applied fields parallel to the c-axis and approximately 1000 Tesla for fields oriented in the a-b plane. Results to date have shown that superconducting films can be reproducibly deposited on 100 oriented MgO substrates. One film had a zero resistance temperature of 111.5 K. Furthermore, x ray diffraction analysis of the films showed preferential c-axis orientation parallel to the plane of the substrate. These results have now made it possible to consider the manufacture of a superconducting tape wire which can be configured into a topology useful for high-field magnet designs. The research which leads to the preparation of these films and plans for further development are reviewed.

Photocatalytic CO2 reduction by Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ (0.04 ≤ x ≤ 0.60)

NASA Astrophysics Data System (ADS)

Yoon, Songhak; Gaul, Michael; Sharma, Sitansh; Son, Kwanghyo; Hagemann, Hans; Ziegenbalg, Dirk; Schwingenschlogl, Udo; Widenmeyer, Marc; Weidenkaff, Anke

2018-04-01

Cr-substituted polycrystalline Ba2(In2-xCrx)O5·(H2O)δ powders (0.04 ≤ x ≤ 0.60) were synthesized by solid state reaction to investigate the relation of crystal structure, thermochemical, magnetic, and optical properties. The Cr-substitution results in an unit cell expansion and formation of the higher-symmetric tetragonal phase together with increased oxygen and hydrogen contents. Magnetic property measurements reveal that the diamagnetic pristine Ba2In2O5·(H2O)δ becomes magnetically ordered upon Cr-substitution. By UV-vis spectroscopy a gradual shift of the absorption-edge energy to lower values was observed. Numerical calculations showed that the observed bandgap narrowing was ascribed to the Cr induced states near the Fermi level. The correlation between the changes of crystal chemistry, magnetic, and optical properties of Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ can be explained by the replacement of In by Cr. Consequently, an enhanced photocatalytic CO2 reduction activity was observed with increasing Cr substitution, compatible with the state-of-the-art high surface area TiO2 photocatalyst (P-25).

High Resolution X-ray Scattering Studies of Structural Phase Transitions in BaFe2-x Cr x As 2

NASA Astrophysics Data System (ADS)

Gaulin, B. D.; Clancy, J. P.; Wagman, J. J.; Sefat, A. S.

2011-03-01

While the effects of electron-doping on the parent compounds of the 122 family of Fe-based superconductors have been extremely well-studied in recent years, far less is known about the influence of hole-doping in compounds such as BaFe 2-x Cr x As 2 . In contrast to the electron-doped 122 systems, the hole-doped compounds do not become superconducting. Furthermore, while the hole-doped compounds exhibit similar structural and magnetic phase transitions, they appear to be much less sensitive to dopant concentration. We have performed high resolution x-ray scattering and magnetic susceptibility measurements on single crystal samples of BaFe 2-x Cr x As 2 for Cr concentrations ranging from 0 <= x <= 0.67 . These measurements allow us to determine the magnetic and structural phase transitions for this series and map out the low temperature phase diagram as a function of doping. In particular, we have carried out detailed measurements of the tetragonal (I4/mmm) to orthorhombic (Fmmm) structural phase transition which reveal how the orthorhombicity of the system evolves with increasing Cr concentration and how this correlates with the values of Ts and Tm .

Sediment pollution in margins of the Lake Guaíba, Southern Brazil.

PubMed

de Andrade, Leonardo Capeleto; Tiecher, Tales; de Oliveira, Jessica Souza; Andreazza, Robson; Inda, Alberto Vasconcellos; de Oliveira Camargo, Flávio Anastácio

2017-12-02

Sediments are formed by deposition of organic and inorganic particles on depth of water bodies, being an important role in aquatic ecosystems, including destination and potential source of essential nutrients and heavy metals, which may be toxic for living organisms. The Lake Guaíba supplies water for approximately two million people and it is located in the metropolitan region of Porto Alegre, Rio Grande do Sul State, Brazil. Thus, the aim of this study was to evaluate the sediment pollution in the margins of Lake Guaíba in the vicinity of Porto Alegre city. Surface sediment was sampled in 12 sites to assess the concentration of several elements (C, N, P, Fe, Al, Ca, Mg, Na, K, Mn, Ba, Zn, V, Pb, Cu, Cr, Ni, Cd, Mo, and Se) and the mineralogical composition. Sediment in margins of Lake Guaíba presented predominantly (> 95%) sandy fraction in all samples, but with significant differences between evaluated sites. Sediments in the margins of Lake Guaíba showed indications of punctual water pollution with Pb, Cu, Cr, Ni, TOC, TKN, and P, mainly derived from urban streams that flow into the lake. In order to solve these environmental liabilities, public actions should not focus only on Guaíba, but also in the streams that flow into the lake.

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

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

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

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

Energy transfer in M₅(PO₄)₃  F:Eu²⁺,Ce³⁺ (M = Ca and Ba) phosphors.

PubMed

Shinde, K N; Dhoble, S J

2014-08-01

M5(PO4)3F:Eu(2+) (M = Ca and Ba) co-doped with Ce(3+) phosphors were successfully prepared by the combustion synthesis method. The introduction of co-dopant (Ce(3+)) into the host enhanced the luminescent intensity of the M5(PO4)3F:Eu(2+) (M = Ca and Ba) efficiently. Previously, we have reported the synthesis and photoluminescence properties of same phosphors. The aim of this article is to report energy transfer mechanism between Ce(3+) ➔Eu(2+) ions in M5(PO4)3F:Eu(2+) (M = Ca and Ba) phosphors, where Ce(3+) ions act as sensitizers and Eu(2+) ions act as activators. The M5(PO4)3F:Eu(2+) (M = Ca and Ba) co-doped with Ce(3+) phosphor exhibits great potential for use in white ultraviolet (UV) light-emitting diode applications to serve as a single-phased phosphor that can be pumped with near-UV or UV light-emitting diodes. Copyright © 2013 John Wiley & Sons, Ltd.

Melting and Vaporization of the 1223 Phase in the System (Tl-Pb-Ba-Sr-Ca-Cu-O)

PubMed Central

Cook, L. P.; Wong-Ng, W.; Paranthaman, P.

1996-01-01

The melting and vaporization of the 1223 [(Tl,Pb):(Ba,Sr):Ca:Cu] oxide phase in the system (Tl-Pb-Ba-Sr-Ca-Cu-O) have been investigated using a combination of dynamic methods (differential thermal analysis, thermogravimetry, effusion) and post-quenching characterization techniques (powder x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectrometry). Vaporization rates, thermal events, and melt compositions were followed as a function of thallia loss from a 1223 stoichiometry. Melting and vaporization equilibria of the 1223 phase are complex, with as many as seven phases participating simultaneously. At a total pressure of 0.1 MPa the 1223 phase was found to melt completely at (980 ± 5) °C in oxygen, at a thallia partial pressure (pTl2O) of (4.6 ± 0.5) kPa, where the quoted uncertainties are standard uncertainties, i.e., 1 estimated standard deviation. The melting reaction involves five other solids and a liquid, nominally as follows: 1223→1212+(Ca,Sr)2CuO3+(Sr,Ca)CuO2+BaPbO3+(Ca,Sr)O+Liquid Stoichiometries of the participating phases have been determined from microchemical analysis, and substantial elemental substitution on the 1212 and 1223 crystallographic sites is indicated. The 1223 phase occurs in equilibrium with liquids from its melting point down to at least 935 °C. The composition of the lowest melting liquid detected for the bulk compositions of this study has been measured using microchemical analysis. Applications to the processing of superconducting wires and tapes are discussed. PMID:27805086

Observation of a remarkable reduction of correlation effects in BaCr2As2 by ARPES.

PubMed

Nayak, Jayita; Filsinger, Kai; Fecher, Gerhard H; Chadov, Stanislav; Minár, Ján; Rienks, Emile D L; Büchner, Bernd; Parkin, Stuart P; Fink, Jörg; Felser, Claudia

2017-11-21

The superconducting phase in iron-based high-[Formula: see text] superconductors (FeSC), as in other unconventional superconductors such as the cuprates, neighbors a magnetically ordered one in the phase diagram. This proximity hints at the importance of electron correlation effects in these materials, and Hund's exchange interaction has been suggested to be the dominant correlation effect in FeSCs because of their multiband nature. By this reasoning, correlation should be strongest for materials closest to a half-filled [Formula: see text] electron shell (Mn compounds, hole-doped FeSCs) and decrease for systems with both higher (electron-doped FeSCs) and lower (Cr-pnictides) [Formula: see text] counts. Here we address the strength of correlation effects in nonsuperconducting antiferromagnetic BaCr 2 As 2 by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. This combination provides us with two handles on the strength of correlation: First, a comparison of the experimental and calculated effective masses yields the correlation-induced mass renormalization. In addition, the lifetime broadening of the experimentally observed dispersions provides another measure of the correlation strength. Both approaches reveal a reduction of electron correlation in BaCr 2 As 2 with respect to systems with a [Formula: see text] count closer to five. Our results thereby support the theoretical predictions that Hund's exchange interaction is important in these materials.

Crystal structures of the double perovskites Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6}

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

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

2007-05-15

Structures of the double perovskites Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6} have been studied by the profile analysis of X-ray diffraction data. The end members, Ba{sub 2}SrWO{sub 6} and Ba{sub 2}CaWO{sub 6}, have the space group I2/m (tilt system a {sup 0} b {sup -} b {sup -}) and Fm3-barm (tilt system a {sup 0} a {sup 0} a {sup 0}), respectively. By increasing the Ca concentration, the monoclinic structure transforms to the cubic one via the rhombohedral R3-bar phase (tilt system a {sup -} a {sup -} a {sup -}) instead of the tetragonal I4/mmore » phase (tilt system a {sup 0} a {sup 0} c {sup -}). This observation supports the idea that the rhombohedral structure is favoured by increasing the covalency of the octahedral cations in Ba{sub 2} MM'O{sub 6}-type double perovskites, and disagrees with a recent proposal that the formation of the {pi}-bonding, e.g., d {sup 0}-ion, determines the tetragonal symmetry in preference to the rhombohedral one. - Graphical abstract: Enlarged sections showing the evolution of the basic (222) and (400) reflections in Ba{sub 2}Sr{sub 1-} {sub x} Ca {sub x} WO{sub 6}. Tick marks below are the positions of Bragg's reflections calculated using the space groups I2/m (x=0), R3-bar (x=0.25, 0.5 and 0.75) and Fm3-barm (x=1), respectively.« less

Structures, phase transitions and microwave dielectric properties of the 6H perovskites Ba 3BSb 2O 9, B=Mg, Ca, Sr, Ba

NASA Astrophysics Data System (ADS)

Ling, Chris D.; Rowda, Budwy; Avdeev, Maxim; Pullar, Robert

2009-03-01

We present a complete temperature-composition phase diagram for Ba 3BSb 2O 9, B=Mg, Ca, Sr, Ba, along with their electrical behavior as a function of B. These compounds have long been recognized as 6H-type perovskites, but (with the exception of B=Mg) their exact structures and properties were unknown due to their low symmetries, temperature-dependent phase transitions, and difficulties in synthesizing pure samples. The full range of possible space group symmetries is observed, from ideal hexagonal P6 3/ mmc to monoclinic C2/ c to triclinic P1¯. Direct second-order transitions between these phases are plausible according to group theory, and no evidence was seen for any further intermediate phases. The phase diagram with respect to temperature and the effective ionic radius of B is remarkably symmetrical for B=Mg, Ca, and Sr. For B=Ba, a first-order phase transition to a locally distorted phase allows a metastable hexagonal phase to persist to lower temperatures than expected before decomposing around 600 K. Electrical measurements revealed that dielectric permittivity corrected for porosity does not change significantly as a function of B and is in a good agreement with the values predicted by the Clausius-Mossotti equation.

Correlation of Structure, Tunable Colors, and Lifetimes of (Sr, Ca, Ba)Al2O4:Eu2+, Dy3+ Phosphors

PubMed Central

Xie, Qidi; Li, Bowen; He, Xin; Zhang, Mei; Chen, Yan; Zeng, Qingguang

2017-01-01

(Sr, Ca, Ba)Al2O4:Eu2+, Dy3+ phosphors were prepared via a high temperature solid-state reaction method. The correlation of phase structure, optical properties and lifetimes of the phosphors are investigated in this work. For the (Sr, Ca)Al2O4:Eu2+, Dy3+ phosphors, the different phase formation from monoclinic SrAl2O4 phase to hexagonal SrAl2O4 phase to monoclinic CaAl2O4 phase was observed when the Ca content increased. The emission color of SrAl2O4:Eu2+, Dy3+ phosphors varied from green to blue. For the (Sr, Ba)Al2O4:Eu2+, Dy3+ phosphors, different phase formation from the monoclinic SrAl2O4 phase to the hexagonal BaAl2O4 phase was observed, along with a shift of emission wavelength from 520 nm to 500 nm. More interestingly, the decay time of SrAl2O4:Eu2+, Dy3+ changed due to the different phase formations. Lifetime can be dramatically shortened by the substitution of Sr2+ with Ba2+ cations, resulting in improving the performance of the alternating current light emitting diode (AC-LED). Finally, intense LEDs are successfully obtained by combining these phosphors with Ga(In)N near UV chips. PMID:29057839

Theoretical investigation on thermoelectric properties of (Ca,Sr,Ba)Fe2(As/Bi)2 compounds under temperature

NASA Astrophysics Data System (ADS)

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

2018-04-01

The electrical conductivity, resistivity and Seebeck coefficient, Pauli magnetic susceptibility and power factor are computed under temperature (100 K - 800 K) in steps of 100 K for the theoretically designed compounds namely (Ca,Sr,Ba)Fe2Bi2 and their parent compounds namely (Ca,Sr,Ba)Fe2As2 by using Boltzmann transport theory interfaced to the Wien2k program. The Bulk modulus, electron phonon coupling constant, thermoelectric figure of merit (ZT) and transition temperature are calculated for the optimized anti ferromagnetic phase of the proposed compounds. The results are discussed for the novel compounds in view of their superconductivity existence and compared with their parent unconventional superconducting compounds.

Response surface methodology investigation into optimization of the removal condition and mechanism of Cr(Ⅵ) by Na2SO3/CaO.

PubMed

Zhao, Shengxin; Chen, Zhonglin; Shen, Jimin; Kang, Jing; Qu, Yanfeng; Wang, Binyuan; Wang, Xin; Yuan, Lie

2017-11-01

The removal of Cr(Ⅵ) by chemical reduction-precipitation is widely applied in wastewater treatment plants. Nevertheless, the formation of Cr(OH) 3 with gel properties has weak settlement performance, making it necessary to add a coagulant aid to reduce the settling time and improve the settling effect. In this investigation, a high concentration of Cr(Ⅵ) was removed using Na 2 SO 3 as a reducing agent and CaO as a coagulant. An improved reduction and precipitation experiment was modeled by applying a three-factor central composite experimental design (CCD). To reveal as many mechanisms as possible for Cr T removal, other verification experiments were performed. The Cr T removal efficiency decreased, which can be explained by the following three reasons: dissolution of Cr(Ⅲ), competition for adsorption between Ca 2+ and Cr(Ⅲ) at different coagulation times, and formation of a solubility complex with Cr(Ⅲ) due to the surplus SO 3 2- in solution. The increasing Cr T removal efficiency can be explained by the following two reasons: dissolved Ca 2+ from CaO can neutralize CrO 2 - that is produced by the dissolution of Cr(OH) 3 in alkaline solution and can broaden the optimal final pH range of coagulation. Ca 2+ could also strengthen the Cr T removal through adsorption bridging and co-precipitation with CaO as the core of flocs. Copyright © 2017 Elsevier Ltd. All rights reserved.

Band-gap tuning and magnetic properties of heterovalent ions (Ba, Sr and Ca) substituted BiFeO{sub 3} nanoparticles

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

Chauhan, Sunil, E-mail: sunilchauhanjiit@gmail.com; Kumar, Manoj; Katyal, S. C.

2016-05-23

A Comparative study of heterovalent Ba, Sr and Ca ions substitution on the structural, vibrational, optical and magnetic properties of BiFeO{sub 3} nanoparticles was carried out. The distorted rhombohedral structure was confirmed from both X-ray diffraction and Raman spectroscopy techniques in pure BiFeO{sub 3} and Bi{sub 0.85}A{sub 0.15}FeO{sub 3} (A= Ba, Sr and Ca) samples. UV-Visible spectroscopy results show that the band-gap of BiFeO{sub 3} nanoparticles can be tuned by heterovalent ions substitution from 2.12 eV for BiFeO{sub 3} to 2.10, 2.06 and 2.03 eV for Ca, Sr and Ba substituted BiFeO{sub 3} nanoparticles respectively. The magnetic measurements indicate enhancementmore » in magnetization for heterovalent A{sup 2+} substituted BiFeO{sub 3} samples and the magnetization increases with increase of ionic radius of the substituted ions.« less

Ba/Ca in Planktonic Foraminifera as a Recorder of Freshwater Input to the Ocean: Proxy Refinement in the Gulf of Papua, Papua New Guinea

NASA Astrophysics Data System (ADS)

Gibson, K.

2015-12-01

In the study of paleoclimate, the past several decades have seen large strides in the advancement of proxies designed to reconstruct changes in sea surface temperature (SST); however, techniques for reconstructing ocean salinity are less well developed. The ratio of Ba/Ca in planktic foraminiferal tests has shown initial promise as a tool for reconstructing salinity in continental margin sites near river mouths. In these environments, Ba/Ca shows an inverse correlation with salinity, and often a less clear correlation to nutrients or indicators of productivity, as is more typical in open-ocean settings. An ideal area in which to apply and test foraminiferal Ba/Ca as a proxy for freshwater input is the Western Pacific Warm Pool (WPWP), where temperatures are relatively stable, but large variations in precipitation are today driven by the El Nino Southern Oscillation (ENSO) and strength of the Australian-Indonesian monsoon. Foraminiferal Ba/Ca in sediments proximal to a river mouth should therefore reflect changes in riverine input, which in turn reflect variations in precipitation on different timescales. We present here planktic foraminiferal δ18O, Ba/Ca, and Mg/Ca records spanning the last glacial-interglacial transition from marine sediment cores in the Gulf of Papua, located in the WPWP. The δ18O records show an increase in the magnitude of glacial-interglacial (G-IG) δ18O change (Δ18O) moving away from the coastline and the mouth of the primary local freshwater source, the Fly River. The reduced amplitude in G-IG Δ18O in the cores closer to shore, manifested by more negative δ18O values before ~20 kyr ago, is likely due to freshwater input from the Fly River, with the effects diminishing with distance from the Fly River source. Temperature and sea level are also changing over the deglaciation, however, contributing to the signal recorded in the calcite δ18O. We use planktic Mg/Ca analyses and independent records of sea level change to isolate the

A novel pyrophosphate BaCr2(P2O7)2 as green pigment with high NIR solar reflectance and durable chemical stability

NASA Astrophysics Data System (ADS)

Tao, Zhengxu; Zhang, Wanqi; Huang, Yanlin; Wei, Donglei; Seo, Hyo Jin

2014-08-01

A novel pyrophosphate BaCr2(P2O7)2 was synthesized by the conventional solid-state reaction. The X-ray diffraction (XRD), FTIR spectrum, scanning electron microscopy (SEM) and ultraviolet-visible (UV-Vis) near infrared (NIR) reflectance spectra were applied to characterize the powders. The refractive indexes and nature of the VB and CB were determined. The structure, color properties and application were investigated. The results reveal that the anomalist bodies with smooth surfaces were obtained at 1200 °C with a mean size of 3 μm. A high reflectance peak at 535 nm was observed in the visible region, which is associated with the brilliant and deep green color of this pigment. With all the acids, alkali and deionized water treatment, the polycrystalline pigment BaCr2(P2O7)2 was found to be durable in chemical stability. The significantly high NIR solar reflectance of BaCr2(P2O7)2 is 90.0%, a higher cooling ability, so it has been selected to be tested as cool green pigment in ceramics. Moreover, this novel pyrophosphate pigment has great potential as cool pigment for surface coating applications.

Understanding cation ordering and oxygen vacancy site preference in Ba3CaNb2O9 from first-principles

NASA Astrophysics Data System (ADS)

Ding, Hepeng; Virkar, Anil; Liu, Feng

2014-03-01

We investigate the physical mechanism underlying the formation of the B-site cation ordering and the oxygen vacancy site selection in Ba3CaNb2O9 using density functional theory calculations. We found that either cation site exchange or oxygen vacancy formation induces negligible lattice strain. This implies that the ionic radius plays an insignificant role in governing these two processes. Furthermore, the electrostatic interactions are found dominant in the ordering of mixed valence species on one or more sites, the ionic bond strength is identified as the dominant force in governing both the 1:2 B-site cation ordering along the <111>direction and the oxygen vacancy site preference in Ba3CaNb2O9. Specifically, the cation ordering can be rationalized by the increased mixing bonding energy of the Ca-O-Nb bonds over the Ca-O-Ca and Nb-O-Nb bonds, i.e., 1/2(Ca-O-Ca + Nb-O-Nb) <Ca-O-Nb while oxygen vacancy prefers a site to minimize the electrostatic energy and to break the weaker B-O-B bond. Funded by DOE EFRC Grant Number DE-SC0001061 as a flow through from the University of South Carolina.

Double-perovskites A 2FeMoO 6- δ (A = Ca, Sr, Ba) as anodes for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Zhang, Leilei; Zhou, Qingjun; He, Qiang; He, Tianmin

Double-perovskites A 2FeMoO 6- δ (A = Ca, Sr, Ba) have been investigated as potential anode materials for solid oxide fuel cells (SOFCs). At room temperature, A 2FeMoO 6- δ compounds crystallize in monoclinic, tetragonal, and cubic structures for A = Ca, Sr, and Ba, respectively. A weak peak observed at around 880 cm -1 in the Raman spectra can be attributed to traces of AMoO 4. XPS has confirmed the coexistence of Fe 2+-Mo 6+ and Fe 3+-Mo 5+ electronic configurations. Moreover, a systematic shift from Fe 2+/3+-Mo 6+/5+ to Fe 2+-Mo 6+ configuration is seen with increasing A-site cation size. A 2FeMoO 6- δ samples display distinct electrical properties in H 2, which can be attributed to different degrees of degeneracy of the Fe 2+-Mo 6+ and Fe 3+-Mo 5+ configurations. Ca 2FeMoO 6- δ is unstable in a nitrogen atmosphere, while Sr 2FeMoO 6- δ and Ba 2FeMoO 6- δ are stable up to 1200 °C. The thermal expansion coefficients of Sr 2FeMoO 6- δ and Ba 2FeMoO 6- δ are very close to that of La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- δ (LSGM). The performances of cells with 300 μm thick LSGM electrolyte, double-perovskite SmBaCo 2O 5+ x cathodes, and A 2FeMoO 6- δ anodes follow the sequence Ca 2FeMoO 6- δ < Ba 2FeMoO 6- δ < Sr 2FeMoO 6- δ. The maximum power densities of a cell with an Sr 2FeMoO 6- δ anode reach 831 mW cm -2 in dry H 2 and 735 mW cm -2 in commercial city gas at 850 °C, respectively.

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.

Magnetisation studies of phase co-existence in Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5}

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

Thirumurugan, N.; Bharathi, A., E-mail: bharathi@igcar.gov.in; Arulraj, A.

2012-04-15

Highlights: Black-Right-Pointing-Pointer The series Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5} was synthesised by solid state reaction. Black-Right-Pointing-Pointer Magnetisation studies were carried out in the 4-300 K temperature range in magnetic fields upto 16 Tesla. Black-Right-Pointing-Pointer Results were used to formulate the T versus Ca fraction, phase diagram. Black-Right-Pointing-Pointer Evidence for Magnet-electronic phase separation is shown for the first time in the compound. -- Abstract: Magnetic properties of hole doped, oxygen deficient double perovskite compounds, Gd{sub 1-x}Ca{sub x}BaCo{sub 2}O{sub 5.5}, have been investigated. Ferromagnetic transition temperatures increase and the anti-ferromagnetic transition temperatures decrease with Ca substitution leading to stabilisation of ferromagnetisim formore » x {>=} 0.05. A detailed study of the ferromagnetic phase indicates the presence of double hysterisis loops for Ca fractions, 0.05 {<=} x {<=} 0.2 in the 50-200 K temperature range, suggestive of the co-existence of two ferromagnetic phases with different co-ercivities. Based on the magnetisation and transport measurements a phase diagram is proposed for Ca doped GdBaCo{sub 2}O{sub 5.5}.« less

Formation of metal nanoparticles in MgF2, CaF2 and BaF2 crystals under the electron beam irradiation

NASA Astrophysics Data System (ADS)

Bochkareva, Elizaveta S.; Sidorov, Alexander I.; Yurina, Uliana V.; Podsvirov, Oleg A.

2017-07-01

It is shown experimentally that electron beam action with electrons energies of 50 and 70 keV on MgF2, CaF2 and BaF2 crystals results in local formation in the crystal near-surface layer of Mg, Ca or Ba nanoparticles which possess plasmon resonance. In the case of MgF2 spheroidal nanoparticles are formed, in the cases of CaF2 and BaF2 - spherical. The formation of metal nanoparticles is confirmed by computer simulation in dipole quasistatic approximation. The dependence of absorption via electron irradiation dose is non-linear. It is caused by the increase of nanoparticles concentration and by the increase of nanoparticles sizes during irradiation. In the irradiated zones of MgF2 crystals, for irradiation doses less than 80 mC/cm2, the intense luminescence in a visible range appears. The practical application of fabricated composite materials for multilevel optical information recording is discussed.

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

PubMed

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

2008-05-29

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

Chemical stabilization and high pressure synthesis of Ba-free Hg-based superconductors, (Hg,M)Sr2Ca(n-1)Cu(n)O(y)(n=1 to approximately 3)

NASA Technical Reports Server (NTRS)

Kishio, K.; Shimoyama, J.; Hahakura, S.; Kitazawa, K.; Yamaura, K.; Hiroi, Z.; Takano, M.

1995-01-01

A homologous series of new Hg-based HTSC compounds, (Hg,M)Sr2Ca(n - 1)Cu(n)P(y) with n = 1 to 3, have been synthesized. The stabilization of the pure phases have been accomplished by chemical doping of third elements such as M = Cr, Mo and Re. While the Hgl2O1(n = 1) phase was readily obtained in this way, it was necessary to simultaneously dope Y into the Ca site to stabilize the Hg1212(n = 2) phase. On the other hand, single-phase Y-free Hg1212(n = 2) and Hg1223 (n = 3) samples were synthesized only under a high pressure of 6 GPa. In sharp contrast to the Ba containing compounds, all the samples prepared in the present study have been quite stable during the synthesis and no deterioration in air has been observed after the preparation.

Oxygen hyperstoichiometric hexagonal ferrite CaBaFe4O7+δ (δ≈0.14): Coexistence of ferrimagnetism and spin glass behavior

NASA Astrophysics Data System (ADS)

Sarkar, Tapati; Duffort, V.; Pralong, V.; Caignaert, V.; Raveau, B.

2011-03-01

An oxygen hyperstoichiometric ferrite CaBaFe4O7+δ (δ ≈ 0.14) has been synthesized using “soft” reduction of CaBaFe4O8. Like the oxygen stoichiometric ferrimagnet CaBaFe4O7, this oxide also keeps the hexagonal symmetry (space group P63mc), and exhibits the same high Curie temperature of 270 K. However, the introduction of extra oxygen into the system weakens the ferrimagnetic interaction significantly at the cost of increased magnetic frustration at low temperature. Moreover, this canonical spin glass (Tg~166 K) exhibits an intriguing crossover from de Almeida-Thouless type to Gabay-Toulouse type critical line in the field temperature plane above a certain field strength, which can be identified as the anisotropy field. Domain-wall pinning is also observed below 110 K. These results are interpreted on the basis of cationic disordering on the iron sites.

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.

Effect of microwaves on the synthesis, structural and dielectric properties of Ca-modified BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Salhi, Abdelaziz; Sayouri, Salah-eddine; Jaber, Boujemaa; Omari, L.-Haj

2018-05-01

A pre-heat treatment with a domestic microwave, (MW), performed on gel-dry of sol gel processed Ca-modified BaTiO3, with the chemical formulation Ba1- x Ca x TiO3 such as x = 0, 1, 5, 10, 15, 20 and 30%, has been shown to lower the calcination temperature of these samples and to strongly influence their physicochemical properties. Indeed, X-ray diffraction and Raman characterizations of the samples revealed a gradual change from tetragonal to pseudo cubic phase with increasing x and a predominance of the occupation of the Ti-site for the composition x < 10 and that of the Ba-site for x ≥ 10. Dielectric measurements have shown that the temperature, T m, of the ferro-to-paraelectric transition is sensitive to the above-mentioned behavior, with a diffuse character of this transition; T m first decreases for the concentrations in x such as x < = 10 (predominance of occupation of Ti sites) before it increases for the compositions with x > 10 (predominance of occupation of Ba-sites). The thermal behavior of the permittivity has been approached by the modified Uchino's law, allowing the calculation of the dielectric parameters (diffuseness and relaxation parameters).

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.

Synthesis, characterization and optical properties of ATiO{sub 3}–Pr thin films prepared by a photochemical method (where A = Ba and Ca)

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

Cabello, G., E-mail: gerardocabelloguzman@hotmail.com; Lillo, L.; Caro, C.

2015-10-15

Highlights: • A method of photochemical deposition has been used to the preparation of (Ba,Ca)TiO{sub 3} thin films doped Pr(III). • The (Ba,Ca)TiO{sub 3}/Pr(III) films under 375 nm excitation shows emissions attributable to {sup 1}D{sub 2} → {sup 3}H{sub 4} transition of Pr ion. • These PL signals decreased above 10 mol% of Pr(III). • Analysis suggests the presence of intermediate energy levels in the band gap influences in the PL processes. - Abstract: This article reports the characterization and optical properties of (Ba,Ca)TiO{sub 3} thin films doped with Pr at different proportions (0–15 mol%). The films were deposited onmore » Si (1 0 0) and quartz substrates using a photochemical method and post-annealed at 900 °C. The evaluation of photo-reactivity of the precursor complexes was monitored by UV–vis and FT-IR spectroscopy. The obtained films were characterized by X-ray diffraction and X-ray photoelectron spectroscopy. The results indicate that Ba, Ca, Ti, O and Pr are present in the form of perovskite. Under UV light excitation (375 nm) the (Ba,Ca)TiO{sub 3}–Pr films show the characteristic emissions ascribed to {sup 1}D{sub 2} → {sup 3}H{sub 4} transition of Pr{sup 3+} ion. The optical measurements show the presence of intermediate energy levels in the band gap which influence the emission processes.« less

Experimental determination of the partition coefficient for Ba in Neogloboquadrina dutertrei suggests calcification occurs in a Ba-enriched microenvironment

NASA Astrophysics Data System (ADS)

Fehrenbacher, J. S.; Russell, A. D.; Davis, C. V.; Spero, H. J.; Chu, E.

2015-12-01

The Ba/Ca ratio in several spinose planktic foraminifer species varies as a function of the Ba/Ca concentration of seawater and is not affected by other parameters such as the seawater salinity, temperature and pH (Honisch et al., 2011). Since seawater Ba concentration is linearly related to Ba in nearshore environments, Ba/Ca ratios in spinose species shows promise as an indicator of past changes in monsoon strength and river runoff (e. g. Weldeab et al. 2007). In contrast, the non-spinose foraminifers often have intrashell variability in Ba/Ca, with Ba/Ca ratios much higher than expected for the range of Ba concentrations observed in the ocean. Furthermore, the Ba/Ca ratio can vary by over a factor of 10 within a single specimen. This suggests either 1) the partition coefficient for Ba in non-spinose species differs from that determined for spinose species, or 2) non-spinose species calcify in a micro-environment that is enriched in Ba. We conducted experiments on live specimens to determine the partition coefficient for Ba in the non-spinose foraminifer N. dutertrei. Specimens were collected via plankton net from the Southern California Bight and cultured at the Wrigley Marine Science Center, Santa Catalina Island during the summer of 2013-2015. We use isotopically labeled seawater (87Sr) to identify discrete portions of calcite that grew in culture. We use laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) for trace element analyses and to identify ocean grown vs. culture grown calcite. We show that the partition coefficient is similar to the spinose species: N. dutertrei incorporates Ba as a function of seawater chemistry. We conclude from these observations that N. dutertrei forms its calcite from fluids enriched in Ba, and hypothesize that this process occurs via attachment to organic-rich particles such as marine snow.

Elastic, magnetic, and magnetoelectric properties of the CaBaCo{sub 4}O{sub 7} multiferroic

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

Kazei, Z. A., E-mail: kazei@plms.phys.msu.ru; Snegirev, V. V.; Vorob’ev, G. P.

2016-12-15

The structural, elastic, magnetic, and magnetoelectric properties of the CaBaCo{sub 4}O{sub 7} multiferroic are experimentally studied and compared with the properties of the related YBaCo{sub 4}O{sub 7} cobaltite, where Y{sup 3+} ions substitute for Ca{sup 2+} ions. Unlike the frustrated YBaCo{sub 4}O{sub 7} magnet, the softening of Young’s modulus and the hysteresis in the ΔE(T)/E{sub 0} curve of ferrimagnetic CaBaCo{sub 4}O{sub 7} in the paramagnetic region are weak, and the anomaly during the magnetic transition increases by almost an order of magnitude. This difference can point to different characters of the development of a long-range magnetic order in these twomore » cobaltites. The distortion of the crystal structure that removes the frustrations of exchange interactions is found to correlate with the magnetic behavior of the cobaltites under study. The magnetization curves of the Ca cobaltite have two steps below 15 K, which can point to the presence of a metastable state in a high magnetic field. The study of the longitudinal and transverse magnetoelectric effects in a pulsed magnetic field demonstrates that their magnitudes are maximal near T{sub C} and change their character from linear to quadratic during passage through this temperature.« less

Hyper- and hypobaric processing of Tl-Ba-Ca-Cu-O superconductors

NASA Astrophysics Data System (ADS)

Goretta, K. C.; Routbort, J. L.; Shi, Donglu; Chen, J. G.; Hash, M. C.

1989-11-01

Tl-based superconductors of initial composition Tl:Ca:Ba:Cu equal to 2:2:2:3 and 1:3:1:3 were heated in oxygen at pressures of 10(sup 4) to 6 (times) 10(sup 5) Pa. The 2:2:2:3 composition formed primarily the 2-layer superconductor with zero resistance from 77 to 104 K. The 1:3:1:3 composition formed nearly phase pure 3-layer superconductor with a maximum zero resistance temperature of 120 K. Application of hyperbaric pressure influenced phase purities and transition temperatures slightly; phase purities decreased significantly with application of hypobaric pressures.

Concentrations and ratios of Sr, Ba and Ca along an estuarine river to the Gulf of Mexico - implication for sea level rise effects on trace metal distribution

NASA Astrophysics Data System (ADS)

He, S.; Xu, Y. J.

2015-11-01

Strontium and barium to calcium ratios are often used as proxies for tracking animal movement across salinity gradients. As sea level rise continues, many estuarine rivers in the world face saltwater intrusion, which may cause changes in mobility and distribution of these metals upstream. Despite intensive research on metal adsorption and desorption in marine systems, knowledge of the spatiotemporal distribution of these elements along estuarine rivers is still limited. In this study, we conducted an intensive monitoring of Sr and Ba dynamics along an 88 km long estuary, the Calcasieu River in South Louisiana, USA, which has been strongly affected by saltwater intrusion. Over the period from May 2013 to August 2015, we collected monthly water samples and performed in-situ water quality measurements at six sites from the upstream to the river mouth, with a salinity range from 0.02 to 29.50 ppt. Water samples were analyzed for Sr, Ba, and Ca concentrations. In-situ measurements were made on salinity, pH, water temperature, dissolved oxygen concentration, and specific conductance. We found that the Sr and Ca concentrations and the Sr / Ca ratio all increased significantly with increasing salinity. The average Sr concentration at the site closest to the Gulf of Mexico (site 6) was 46.21 μmol L-1, which was about 130 times higher than that of the site furthest upstream (site 1, 0.35 μmol L-1). The average Ca concentration at site 6 was 8.19 mmol L-1, which was about 60 times higher than that of site 1 (0.13 mmol L-1). The average Sr / Ca ratio at site 6 (8.41 mmol mol-1) was about 3 times the average Sr / Ca ratio at site 1 (2.89 mmol mol-1). However, the spatial variation in Ba concentration was marginal, varying from 0.36 μmol L-1 at site 6 to 0.47 at site 5. The average Ba / Ca ratio at site 1 (4.82 mmol mol-1) was about 54 times the average Ba / Ca ratio at site 6 (0.09 mmol mol-1), showing a clear negative relation between the Ba / Ca ratio and increasing

Thermoelectric properties of AMg 2X 2, AZn 2Sb 2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba 2ZnX 2 (X = Sb, Bi) Zintl compounds

DOE PAGES

Sun, Jifeng; Singh, David J.

2017-04-03

In this paper, we report a theoretical investigation of the electronic structure and transport properties of eleven Zintl compounds including nine 122 phases (AMg 2X 2, AZn 2Sb 2 (A = Ca, Sr, Ba; X = Sb, Bi)) and two 212 phases (Ba 2ZnX 2 (X = Sb, Bi)). The electronic structures and electrical transport properties are studied using ab initio calculations and semi-classical Boltzmann theory within the constant relaxation time approximation. All the compounds are semiconducting. We find that the n-type 122 phases with the CaAl 2Si 2 structure type show better performance than p-type materials due to themore » multi-valley degeneracy with anisotropic carrier pockets at and near the conduction band minimum. The pocket anisotropy is beneficial in achieving high conductivity and Seebeck coefficient simultaneously. This mechanism yields substantial improvement in the power factor. Finally, the general performance of 212 phases is inferior to that of the 122 phases, with the Ba 2ZnSb 2 compound showing better performance.« less

Phase separation enhanced magneto-electric coupling in La0.7Ca0.3MnO3/BaTiO3 ultra-thin films

PubMed Central

Alberca, A.; Munuera, C.; Azpeitia, J.; Kirby, B.; Nemes, N. M.; Perez-Muñoz, A. M.; Tornos, J.; Mompean, F. J.; Leon, C.; Santamaria, J.; Garcia-Hernandez, M.

2015-01-01

We study the origin of the magnetoelectric coupling in manganite films on ferroelectric substrates. We find large magnetoelectric coupling in La0.7Ca0.3MnO3/BaTiO3 ultra-thin films in experiments based on the converse magnetoelectric effect. The magnetization changes by around 30–40% upon applying electric fields on the order of 1 kV/cm to the BaTiO3 substrate, corresponding to magnetoelectric coupling constants on the order of α = (2–5)·10−7 s/m. Magnetic anisotropy is also affected by the electric field induced strain, resulting in a considerable reduction of coercive fields. We compare the magnetoelectric effect in pre-poled and unpoled BaTiO3 substrates. Polarized neutron reflectometry reveals a two-layer behavior with a depressed magnetic layer of around 30 Å at the interface. Magnetic force microscopy (MFM) shows a granular magnetic structure of the La0.7Ca0.3MnO3. The magnetic granularity of the La0.7Ca0.3MnO3 film and the robust magnetoelastic coupling at the La0.7Ca0.3MnO3/BaTiO3 interface are at the origin of the large magnetoelectric coupling, which is enhanced by phase separation in the manganite. PMID:26648002

Heterobimetallic Complexes with MIII-(μ-OH)-MII Cores (MIII = Fe, Mn, Ga; MII = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties

PubMed Central

Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.

2013-01-01

The effects of redox-inactive metal ions on dioxygen activation were explored using a new FeII complex containing a tripodal ligand with 3 sulfonamido groups. This iron complex exhibited a faster initial rate for the reduction of O2 than its MnII analog. Increases in initial rates were also observed in the presence of group 2 metal ions for both the FeII and MnII complexes, which followed the trend NMe4+ < BaII < CaII = SrII. These studies led to the isolation of heterobimetallic complexes containing FeIII-(μ-OH)-MII cores (MII = Ca, Sr, and Ba) and one with a [SrII(OH)MnIII]+ motif. The analogous [CaII(OH)GaIII]+ complex was also prepared and its solid state molecular structure is nearly identical to that of the [CaII(OH)FeIII]+ system. Nuclear magnetic resonance studies indicated that the diamagnetic [CaII(OH)GaIII]+ complex retained its structure in solution. Electrochemical measurements on the heterobimetallic systems revealed similar one-electron reduction potentials for the [CaII(OH)FeIII]+ and [SrII(OH)FeIII]+ complexes, which were more positive than the potential observed for [BaII(OH)FeIII]+. Similar results were obtained for the heterobimetallic MnII complexes. These findings suggest that Lewis acidity is not the only factor to consider when evaluating the effects of group 2 ions on redox processes, including those within the oxygen-evolving complex of Photosystem II. PMID:24058726

Heterobimetallic Complexes with MIII-(μ-OH)-MII Cores (MIII = Fe, Mn, Ga; MII = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.

PubMed

Park, Young Jun; Cook, Sarah A; Sickerman, Nathaniel S; Sano, Yohei; Ziller, Joseph W; Borovik, A S

2013-02-01

The effects of redox-inactive metal ions on dioxygen activation were explored using a new Fe II complex containing a tripodal ligand with 3 sulfonamido groups. This iron complex exhibited a faster initial rate for the reduction of O 2 than its Mn II analog. Increases in initial rates were also observed in the presence of group 2 metal ions for both the Fe II and Mn II complexes, which followed the trend NMe 4 + < Ba II < Ca II = Sr II . These studies led to the isolation of heterobimetallic complexes containing Fe III -( μ -OH)-M II cores (M II = Ca, Sr, and Ba) and one with a [Sr II (OH)Mn III ] + motif. The analogous [Ca II (OH)Ga III ] + complex was also prepared and its solid state molecular structure is nearly identical to that of the [Ca II (OH)Fe III ] + system. Nuclear magnetic resonance studies indicated that the diamagnetic [Ca II (OH)Ga III ] + complex retained its structure in solution. Electrochemical measurements on the heterobimetallic systems revealed similar one-electron reduction potentials for the [Ca II (OH)Fe III ] + and [Sr II (OH)Fe III ] + complexes, which were more positive than the potential observed for [Ba II (OH)Fe III ] + . Similar results were obtained for the heterobimetallic Mn II complexes. These findings suggest that Lewis acidity is not the only factor to consider when evaluating the effects of group 2 ions on redox processes, including those within the oxygen-evolving complex of Photosystem II.

A new (Ba, Ca) (Ti, Zr)O3 based multiferroic composite with large magnetoelectric effect

PubMed Central

Naveed-Ul-Haq, M.; Shvartsman, Vladimir V.; Salamon, Soma; Wende, Heiko; Trivedi, Harsh; Mumtaz, Arif; Lupascu, Doru C.

2016-01-01

The lead-free ferroelectric 0.5Ba(Zr0.2Ti0.8)O3 − 0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising component for multifunctional multiferroics due to its excellent room temperature piezoelectric properties. Having a composition close to the polymorphic phase boundary between the orthorhombic and tetragonal phases, it deserves a case study for analysis of its potential for modern electronics applications. To obtain magnetoelectric coupling, the piezoelectric phase needs to be combined with a suitable magnetostrictive phase. In the current article, we report on the synthesis, dielectric, magnetic, and magnetoelectric characterization of a new magnetoelectric multiferroic composite consisting of BCZT as a piezoelectric phase and CoFe2O4 (CFO) as the magnetostrictive phase. We found that this material is multiferroic at room temperature and manifests a magnetoelectric effect larger than that of BaTiO3 −CoFe2O4 bulk composites with similar content of the ferrite phase. PMID:27555563

A new (Ba, Ca) (Ti, Zr)O3 based multiferroic composite with large magnetoelectric effect

NASA Astrophysics Data System (ADS)

Naveed-Ul-Haq, M.; Shvartsman, Vladimir V.; Salamon, Soma; Wende, Heiko; Trivedi, Harsh; Mumtaz, Arif; Lupascu, Doru C.

2016-08-01

The lead-free ferroelectric 0.5Ba(Zr0.2Ti0.8)O3 - 0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising component for multifunctional multiferroics due to its excellent room temperature piezoelectric properties. Having a composition close to the polymorphic phase boundary between the orthorhombic and tetragonal phases, it deserves a case study for analysis of its potential for modern electronics applications. To obtain magnetoelectric coupling, the piezoelectric phase needs to be combined with a suitable magnetostrictive phase. In the current article, we report on the synthesis, dielectric, magnetic, and magnetoelectric characterization of a new magnetoelectric multiferroic composite consisting of BCZT as a piezoelectric phase and CoFe2O4 (CFO) as the magnetostrictive phase. We found that this material is multiferroic at room temperature and manifests a magnetoelectric effect larger than that of BaTiO3 -CoFe2O4 bulk composites with similar content of the ferrite phase.

Magnetic and structural transitions in La1-xAxCoO3 ( A=Ca , Sr, and Ba)

NASA Astrophysics Data System (ADS)

Kriener, M.; Braden, M.; Kierspel, H.; Senff, D.; Zabara, O.; Zobel, C.; Lorenz, T.

2009-06-01

We report thermal-expansion, lattice-constant, and specific-heat data of the series La1-xAxCoO3 for 0≤x≤0.30 with A=Ca , Sr, and Ba. For the undoped compound LaCoO3 , the thermal-expansion coefficient α(T) exhibits a pronounced maximum around T=50K caused by a temperature-driven spin-state transition from a low-spin state of the Co3+ ions at low temperatures toward a higher spin state at higher temperatures. The partial substitution of the La3+ ions by divalent Ca2+ , Sr2+ , or Ba2+ ions causes drastic changes in the macroscopic properties of LaCoO3 . The large maximum in α(T) is suppressed and completely vanishes for x≳0.125 . For A=Ca three different anomalies develop in α(T) with further increasing x , which are visible in specific-heat data as well. Together with temperature-dependent x-ray data, we identify several phase transitions as a function of the doping concentration x and temperature. From these data we propose an extended phase diagram for La1-xCaxCoO3 .

Competing exchange interactions in multiferroic and ferrimagnetic CaBaCo 4 O 7

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

Fishman, Randy Scott; Bordacs, S.; Kocsis, Vilmos

Competing exchange interactions can produce complex magnetic states together with spin-induced electric polarizations. With competing interactions on alternating triangular and kagome layers, the swedenborgite CaBaCo 4O 7 may have one of the largest measured spin-induced polarizations of ~1700 nC/cm 2 below its ferrimagnetic transition temperature at 70 K. Upon rotating our sample about c = [0,0,1] while the magnetic field is fixed along [1,0,0], the threefold splitting of the spin-wave frequencies indicates that our sample is hexagonally twinned. In addition, magnetization measurements then suggest that roughly 20% of the sample is in a domain with the a axis along [1,0,0]more » and that 80% of the sample is in one of two other domains with the a axis along either [-1/2,√3/2, 0] or [-1/2, -√3/2, 0] . Powder neutron-diffraction data, magnetization measurements, and terahertz (THz) absorption spectroscopy reveal that the complex spin order in each domain can be described as a triangular array of bitetrahedral c-axis chains ferrimagnetically coupled to each other in the ab plane. In conclusion, the electric-field dependence of bonds coupling those chains produces the large spin-induced polarization of CaBaCo 4O 7 .« less

Competing exchange interactions in multiferroic and ferrimagnetic CaBaCo 4 O 7

DOE PAGES

Fishman, Randy Scott; Bordacs, S.; Kocsis, Vilmos; ...

2017-01-23

Competing exchange interactions can produce complex magnetic states together with spin-induced electric polarizations. With competing interactions on alternating triangular and kagome layers, the swedenborgite CaBaCo 4O 7 may have one of the largest measured spin-induced polarizations of ~1700 nC/cm 2 below its ferrimagnetic transition temperature at 70 K. Upon rotating our sample about c = [0,0,1] while the magnetic field is fixed along [1,0,0], the threefold splitting of the spin-wave frequencies indicates that our sample is hexagonally twinned. In addition, magnetization measurements then suggest that roughly 20% of the sample is in a domain with the a axis along [1,0,0]more » and that 80% of the sample is in one of two other domains with the a axis along either [-1/2,√3/2, 0] or [-1/2, -√3/2, 0] . Powder neutron-diffraction data, magnetization measurements, and terahertz (THz) absorption spectroscopy reveal that the complex spin order in each domain can be described as a triangular array of bitetrahedral c-axis chains ferrimagnetically coupled to each other in the ab plane. In conclusion, the electric-field dependence of bonds coupling those chains produces the large spin-induced polarization of CaBaCo 4O 7 .« less

The Ba/Ca record of corals from the Southern Gulf of Mexico: contributions from land-use changes, fluvial discharge and oil-drilling muds.

PubMed

Carriquiry, José D; Horta-Puga, Guillermo

2010-09-01

The Ba/Ca in the growth bands of Montastraea faveolata from the Veracruz Reef System was used to reconstruct the long-term environmental change associated to anthropogenic activity in the Southern Gulf of Mexico (SGM). The 168-yr coral record shows two periods of distinct Ba concentrations: a pre-industrial period (1835-1965: 7.54 micromol/mol) followed by an industrial one (1966-2000: 8.57 micromol/mol). As human population quadrupoled during the latter, sediment load in the fluvial discharge also increased due to changes in land-use, yielding a 14% increase in the Ba-levels. A remarkable finding is that the periods at which the coral Ba/Ca ratio losses its correlation with fluvial discharge coincide exactly with peak periods of high barite consumption (used for oil drilling) in the Northern Gulf of Mexico, and the onset of oil drilling in the SGM. This finding suggests that barite may be one of the dominant sources for dissolved-Ba in the SGM. Copyright 2010 Elsevier Ltd. All rights reserved.

Eu(2+)-Activated Alkaline-Earth Halophosphates, M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) for NUV-LEDs: Site-Selective Crystal Field Effect.

PubMed

Kim, Donghyeon; Kim, Sung-Chul; Bae, Jong-Seong; Kim, Sungyun; Kim, Seung-Joo; Park, Jung-Chul

2016-09-06

Eu(2+)-activated M5(PO4)3X (M = Ca, Sr, Ba; X = F, Cl, Br) compounds providing different alkaline-earth metal and halide ions were successfully synthesized and characterized. The emission peak maxima of the M5(PO4)3Cl:Eu(2+) (M = Ca, Sr, Ba) compounds were blue-shifted from Ca to Ba (454 nm for Ca, 444 nm for Sr, and 434 nm for Ba), and those of the Sr5(PO4)3X:Eu(2+) (X = F, Cl, Br) compounds were red-shifted along the series of halides, F → Cl → Br (437 nm for F, 444 nm for Cl, and 448 nm for Br). The site selectivity and occupancy of the activator ions (Eu(2+)) in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) crystal lattices were estimated based on theoretical calculation of the 5d → 4f transition energies of Eu(2+) using LCAO. In combination with the photoluminescence measurements and theoretical calculation, it was elucidated that the Eu(2+) ions preferably enter the fully oxygen-coordinated sites in the M5(PO4)3X:Eu(2+) (M = Ca, Sr, Ba; X = F, Cl, Br) compounds. This trend can be well explained by "Pauling's rules". These compounds may provide a platform for modeling a new phosphor and application in the solid-state lighting field.

Influence of MO/MF2 modifiers (M = Ca, Sr, Ba) on spectroscopic properties of Eu3+ ions in germanate and borate glasses

NASA Astrophysics Data System (ADS)

Zur, Lidia; Janek, Joanna; Pietrasik, Ewa; Sołtys, Marta; Pisarska, Joanna; Pisarski, Wojciech A.

2016-11-01

Series of Eu3+-doped lead-free germanate and borate glasses were synthesized. The MO glass modifiers (M = Ca, Sr or Ba) were partially or totally substituted by MF2 in chemical composition. In contrast to samples modified by CaO/CaF2 or SrO/SrF2, the germanate glass samples containing BaO and/or BaF2 are fully amorphous, while the lead-free borate glasses are fully amorphous, independently from glass modifiers. Effect of glass modifiers on spectroscopic properties of Eu3+ were systematically investigated. For that reason, excitation and emission spectra of Eu3+ ions in examined systems were registered. Based on the emission spectra, ratio of integrated luminescence intensity of the 5D0 → 7F2 transition to that of the 5D0 → 7F1 transition (R factor) was calculated. Moreover, the luminescence decay curves were collected and the luminescence lifetimes of the 5D0 excited state of Eu3+ ions were determined in function of MF2 concentration.

Complex refractive index measurements for BaF 2 and CaF 2 via single-angle infrared reflectance spectroscopy

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

Kelly-Gorham, Molly Rose K.; DeVetter, Brent M.; Brauer, Carolyn S.

We have re-investigated the optical constants n and k for the homologous series of inorganic salts barium fluoride (BaF2) and calcium fluoride (CaF2) using a single-angle near-normal incidence reflectance device in combination with a calibrated Fourier transform infrared (FTIR) spectrometer. Our results are in good qualitative agreement with most previous works. However, certain features of the previously published data near the reststrahlen band exhibit distinct differences in spectral characteristics. Notably, our measurements of BaF2 do not include a spectral feature in the ~250 cm-1 reststrahlen band that was previously published. Additionally, CaF2 exhibits a distinct wavelength shift relative to themore » model derived from previously published data. We confirmed our results with recently published works that use significantly more modern instrumentation and data reduction techniques« less

Facile solution-precipitation assisted synthesis and luminescence property of greenish-yellow emitting Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor

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

Ji, Haipeng; Huang, Zhaohui, E-mail: huang118@cugb.edu.cn; Xia, Zhiguo, E-mail: xiazg@ustb.edu.cn

2016-03-15

Highlights: • Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor was prepared by the solution-precipitation assisted route. • The phosphors have satisfactory smooth grain surface and particle size. • It shows greenish-yellow color emission (maximum at 540 nm) upon blue light excitation. • Eu{sup 2+} is coordinated with isolated oxygen atoms and those from PO{sub 4} polyhedra. - Abstract: Greenish-yellow emitting microcrystalline Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphor was successfully prepared by a solution-precipitation assisted high temperature reaction method. Phase structure, morphology and/or luminescence properties of the precursor and the as-prepared phosphors were characterized. The phase-pure Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} phosphorsmore » were obtained with smooth grain surface and particle size of 2–8 μm. Ca{sub 6}Ba(PO{sub 4}){sub 4}O:Eu{sup 2+} exhibits bright greenish-yellow color emission with its maximum at 540 nm upon UV-blue light excitation. The maximum position of the broad emission band is independent on the calcination temperature. The emission intensity increases with increasing calcination temperature due to improved crystallinity. Besides, the presence of two Eu{sup 2+} emission centers in the Ca{sub 6}Ba(PO{sub 4}){sub 4}O crystal lattice was confirmed and the coordination effects are considered concerning the roles of isolated O atoms and those from the PO{sub 4} tetrahedra.« less

Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds

DOE PAGES

Gui, Xin; Chang, Tay-Rong; Kong, Tai; ...

2017-07-18

A new 122-type phase, monoclinic BaIr2Ge2 is successfully synthesized by arc melting; X-ray diffraction and scanning electron microscopy are used to purify the phase and determine its crystal structure. BaIr2Ge2 adopts a clathrate-like channel framework structure of the monoclinic BaRh2Si2-type, with space group P21/c. Structural comparisons of clathrate, ThCr2Si2, CaBe2Ge2, and BaRh2Si2 structure types indicate that BaIr2Ge2 can be considered as an intermediate between clathrate and layered compounds. Magnetic measurements show it to be diamagnetic and non-superconducting down to 1.8 K. Different from many layered or clathrate compounds, monoclinic BaIr2Ge2 displays a metallic resistivity. Electronic structure calculations performed for BaIr2Ge2more » support its observed structural stability and physical properties.« less

Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds

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

Gui, Xin; Chang, Tay-Rong; Kong, Tai

A new 122-type phase, monoclinic BaIr2Ge2 is successfully synthesized by arc melting; X-ray diffraction and scanning electron microscopy are used to purify the phase and determine its crystal structure. BaIr2Ge2 adopts a clathrate-like channel framework structure of the monoclinic BaRh2Si2-type, with space group P21/c. Structural comparisons of clathrate, ThCr2Si2, CaBe2Ge2, and BaRh2Si2 structure types indicate that BaIr2Ge2 can be considered as an intermediate between clathrate and layered compounds. Magnetic measurements show it to be diamagnetic and non-superconducting down to 1.8 K. Different from many layered or clathrate compounds, monoclinic BaIr2Ge2 displays a metallic resistivity. Electronic structure calculations performed for BaIr2Ge2more » support its observed structural stability and physical properties.« less

Effects of Cr/Zn Substitutions on Dielectric Properties of CaCu{sub 3}Ti{sub 4}O{sub 12}(CCTO) Ceramics

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

Rajmi, R.; Yahya, A. K.; Deni, M. S. M.

2010-07-07

Effects of Zn and Cr substitutions on dielectric properties of CaCu{sub 3-x}Zn{sub x}Ti{sub 4-y}Cr{sub y}O{sub 12} ceramics are reported. Dielectric measurements at room temperature for un-substituted CaCu{sub 3-x}Zn{sub x}Ti{sub 4-y}Cr{sub y}O{sub 12}(x = 0, y = 0) between 10{sup 2}-10{sup 6} Hz showed dielectric constant of 2.7x10{sup 4} at 10{sup 2} Hz. Substitution of Zn for Cu in CaCu{sub 3-x}Zn{sub xTi{sub 4{sub -{sub yCr{sub yO{sub 1{sub 2}}}}}}}(y = 0, x = 0.10, 0.50)caused dielectric constant to drop with increasing x. Cr substitution at Ti-site in CaCu{sub 3-x}Zn{sub xTi{sub 4{sub -{sub yCr{sub yO{sub 1{sub 2}}}}}}}(x = 0, x = 0,) alsomore » caused decrease in dielectric constant. However, at x = 0.50, the dielectric constant at low frequency was enhanced compared to the un-substituted sample. Our results indicate that Cu and Ti sites play an important role in the formation of Internal Barrier Layer Capacitance (IBLC) in CCTO.« less

Solvothermal synthesis of well-dispersed MF2 (M = Ca,Sr,Ba) nanocrystals and their optical properties

NASA Astrophysics Data System (ADS)

Zhang, Xiaoming; Quan, Zewei; Yang, Jun; Yang, Piaoping; Lian, Hongzhou; Lin, Jun

2008-02-01

MF2 (M = Ca,Sr,Ba) nanocrystals (NCs) were synthesized via a solvothermal process in the presence of oleic acid and characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectra, UV/vis absorption spectra, photoluminescence (PL) excitation and emission spectra, and lifetimes, respectively. In the synthetic process, oleic acid as a surfactant played a crucial role in confining the growth and solubility of the MF2 NCs. The as-prepared CaF2, SrF2 and BaF2 NCs present morphologies of truncated octahedron, cube and sheet in a narrow distribution, respectively. Possible growth mechanisms were proposed to explain these results. The as-prepared NCs are highly crystalline and can be well dispersed in cyclohexane to form stable and clear colloidal solutions, which demonstrate strong emission bands centred at 400 nm in photoluminescence (PL) spectra compared with the cyclohexane solvent. The PL properties of the colloidal solutions of the as-prepared NCs can be ascribed to the trap states of surface defects.

Optimal formation and enhanced superconductivity of Tl-1212 phase (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7

NASA Astrophysics Data System (ADS)

Ranjbar, M. G.; Ghoranneviss, Mahmood; Abd-Shukor, R.

2018-06-01

The effect of heating temperature on the formation of Tl-1212 phase with nominal starting composition (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 (Tl-1212) is reported. The Ba-bearing Tl-1212 phase is normally prepared at around 900 °C while with Sr-bearing sample is prepared at a much higher temperature of around 1000 °C. This work was conducted to determine the optimal temperature to synthesis the Tl-1212 phase when the sample contains Ba and Sr with 1:1 ratio. (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 samples were prepared using the solid-state reaction method via the precursor route. In the final preparation stage, the samples were heated at 850, 870, 900, 920, 950, 970 and 1000 °C in oxygen flow. X-Ray diffraction patterns showed that most samples consisted of a mixed (Tl0.6Pb0.4)(Ba,Sr)Ca2Cu3O9 (Tl-1223) and Tl-1212 phase except for the sample heated at 970 °C which showed a single Tl-1212 phase and the sample heated at 850 °C which showed the Tl-1223 phase. The transition temperature measured by four-probe method showed that the sample heated at 970 °C exhibited the highest onset temperature of 118 K and zero-resistance temperature of 100 K. This transition temperature is higher than the usually reported value for the Tl-1212 phase. AC susceptibility measurements also showed the 970 °C heated sample with the highest transition temperature T c χ' = 109 K. The interplay of ionic radius (Ba2+ and Sr2+) decreases of the unit cell volume and changes in the internal lattice strain enhanced the transition temperature and the formation of the Tl-1212 phase.

Hashemite, Ba(Cr,S)O4, a new mineral from Jordan.

USGS Publications Warehouse

Hauff, P.L.; Foord, E.E.; Rosenblum, S.

1983-01-01

Hashemite, Ba(Cr,S)O4, the isostructural chromate analogue of baryte, has been found in west-central Jordan. It is associated with chromian ettringite, apatite and calcite in a phosphatic carbonate rock analogous to the Hatrurim formation in Israel. The mineral is orthorhombic, Pnma, with a 9.112(2), b 5.541(1), c 7.343(1) A, Z = 4. Strongest XRD lines are 3.516(100), 3.171(80), 3.669(60), 2.175(60), 2.150(45) A. Hashemite occurs as small, euhedral, dark brown, commonly zoned crystals with an average D 4.59 g/cm3 and H. 31/2. It is biaxial positive; dark varieties have alpha 1.952(2), beta 1.960(2), gamma 1.977(2); light varieties have alpha 1.810(2), beta 1.813(2), gamma 1.824(2), 2Vgamma 35o-57o.-J.A.Z.

Coral Ba/Ca records of sediment input to the fringing reef of the southshore of Moloka'i, Hawai'i over the last several decades

USGS Publications Warehouse

Prouty, N.G.; Field, M.E.; Stock, J.D.; Jupiter, S.D.; McCulloch, M.

2010-01-01

The fringing reef of southern Moloka’i is perceived to be in decline because of land-based pollution. In the absence of historical records of sediment pollution, ratios of coral Ba/Ca were used to test the hypothesis that sedimentation has increased over time. Baseline Ba/Ca ratios co-vary with the abundance of red, terrigenous sediment visible in recent imagery. The highest values at One Ali’i are near one of the muddiest parts of the reef. This co-varies with the lowest growth rate of all the sites, perhaps because the upstream Kawela watershed was historically leveed all the way to the nearshore, providing a fast-path for sediment delivery. Sites adjacent to small, steep watersheds have ∼decadal periodicities whereas sites adjacent to mangrove forests have shorter-period fluctuations that correspond to the periodicity of sediment transport in the nearshore, rather than the watershed. All four sites show a statistically significant upward trend in Ba/Ca.

Cr6+-containing phases in the system CaO-Al2O3-CrO42--H2O at 23 °C

NASA Astrophysics Data System (ADS)

Pöllmann, Herbert; Auer, Stephan

2012-01-01

Synthesis and investigation of lamellar calcium aluminium hydroxy salts was performed to study the incorporation of chromate ions in the interlayer of lamellar calcium aluminium hydroxy salts. Different AFm-phases (calcium aluminate hydrate with alumina, ferric oxide, mono-anion phase) containing chromate were synthesized. These AFm-phases belong to the group of layered double hydroxides (LDHs). 3CaO·Al2O3·CaCrO4·nH2O and C3A·1/2Ca(OH)2·1/2CaCrO4·12H2O were obtained as pure phases and their different distinct interlayer water contents and properties determined. Solid solution of chromate-containing phases and tetracalcium-aluminate-hydrate (TCAH) were studied. The uptake of chromate into TCAH from solutions was proven. Chromate contents in solution decrease to <0.2 mg/l.

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

A comparative study of the Aurivillius phase ferroelectrics CaBi 4Ti 4O 15 and BaBi 4Ti 4O 15

NASA Astrophysics Data System (ADS)

Tellier, J.; Boullay, Ph.; Manier, M.; Mercurio, D.

2004-06-01

The room temperature structures of the four-layer Aurivillius phase ferroelectrics CaBi 4Ti 4O 15 and BaBi 4Ti 4O 15 are determined by means of single crystal X-ray diffraction. Regarding the CaBi 4Ti 4O 15 phase, in agreement with the tolerance factor, a significant deformation of the perovskite blocks is observed. The rotation system of the octahedra is typical from even layer Aurivillius phases and leads to the use of the space group A2 1am. For the BaBi 4Ti 4O 15 phase, only a weak variation with respect to the F2 mm space group can be suggested from single crystal X-ray diffraction. A significant presence of Ba atoms in the [ M2O 2] slabs is confirmed in agreement with the previous works but specific Ba 2+ and Bi 3+ sites have to be considered due to the large difference in bounding requirement of these cations. Possible origins for the ferroelectric relaxor behavior of the Ba-based compound are discussed in view of the presented structural analyses.

Photoluminescence and cathodoluminescence properties of Eu{sup 3+} ions activated AMoO{sub 4} (A = Mg, Ca, Sr, Ba) phosphors

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

Du, Peng; Yu, Jae Su, E-mail: jsyu@khu.ac.kr

2015-10-15

Highlights: • Under 393 nm excitation, strong red emission located at 615 nm was observed in all the samples. • The Eu{sup 3+}-activated CaMoO{sub 4} phosphor exhibited the strongest PL properties. • The CIE chromaticity coordinate of Eu{sup 3+}-activated CaMoO{sub 4} phosphor was (0.647,0.352). • The color purity of Eu{sup 3+}-activated CaMoO{sub 4} phosphor was 92.8%. • Strong CL properties were observed in the Eu{sup 3+}-activated CaMoO{sub 4} phosphor. - Abstract: Eu{sup 3+}-activated AMoO{sub 4} (A = Mg, Ca, Sr, Ba) phosphors were synthesized by a solid-state reaction method. Photoluminescence and cathodoluminescence (CL) spectra as well as X-ray diffraction patternsmore » were measured to characterize the fabricated samples. Under 393 nm excitation, strong red emissions located at ∼615 nm corresponding to the {sup 5}D{sub 0} → {sup 7}F{sub 2} transition of Eu{sup 3+} ions were observed in all the samples. Compared with other Eu{sup 3+} ions activated AMoO{sub 4} (A = Mg, Sr, Ba) phosphors, Eu{sup 3+}-activated CaMoO{sub 4} phosphor exhibited the strongest red emission intensity with better Commission Internationale de L’Eclairage chromaticity coordinate and higher color purity. Furthermore, the CL results indicated that the Eu{sup 3+}-activated CaMoO{sub 4} phosphor had excellent luminescence properties.« less

Chemical stabilization and high pressure synthesis of Ba-free Hg-based superconductors, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y}(N=1{approximately}3)

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

Kishio, K.; Shimoyama, J.; Hahakura, S.

1994-12-31

A homologous series of new Hg-based HTSC compounds, (Hg,M)Sr{sub 2}Ca{sub n-1}Cu{sub n}O{sub y} with n=1 to 3, have been synthesized. The stabilization of the pure phases have been accomplished by chemical doping of third elements such as M=Cr, Mo and Re. While the Hg1201(n=1) phase was readily obtained in this way, it was necessary to simultaneously dope Y into the Ca site to stabilize the Hg1212(n=2) phase. On the other hand, single-phase Y-free Hg1212(n=2) and Hg1223(n=3) samples were synthesized only under a high pressure of 6 GPa. In sharp contrast to the Ba-containing compounds, all the samples prepared in themore » present study have been quite stable during the synthesis and no deterioration in air has been observed after the preparation.« less

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.

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.

Weathering and precipitation after meteorite impact of Ni, Cr, Fe, Ca and Mn in K-T boundary clays from Stevns Klint

NASA Astrophysics Data System (ADS)

Miyano, Yumiko; Yoshiasa, Akira; Tobase, Tsubasa; Isobe, Hiroshi; Hongu, Hidetomo; Okube, Maki; Nakatsuka, Akihiko; Sugiyama, Kazumasa

2016-05-01

Ni, Cr, Fe, Ca and Mn K-edge XANES and EXAFS spectra were measured on K-T boundary clays from Stevns Klint in Denmark. According to XANES spectra and EXAFS analyses, the local structures of Ni, Cr and Fe in K-T boundary clays is similar to Ni(OH)2, Cr2O3 and FeOOH, respectively. It is assumed that the Ni, Cr and Fe elements in impact related glasses is changing into stable hydrate and oxide by the weathering and diagenesis at the surface of the Earth. Ca in K-T boundary clays maintains the diopside-like structure. Local structure of Ca in K-T clays seems to keep information on the condition at meteorite impact. Mn has a local structure like MnCO3 with divalent state. It is assumed that the origin on low abundant of Mn in the Fe-group element in K-T clays was the consumption by life activity and the diffusion to other parts.

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

NASA Technical Reports Server (NTRS)

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

1975-01-01

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

Core-shell-shell heterostructures of α-NaLuF4:Yb/Er@NaLuF4:Yb@MF2 (M = Ca, Sr, Ba) with remarkably enhanced upconversion luminescence.

PubMed

Su, Yue; Liu, Xiuling; Lei, Pengpeng; Xu, Xia; Dong, Lile; Guo, Xianmin; Yan, Xingxu; Wang, Peng; Song, Shuyan; Feng, Jing; Zhang, Hongjie

2016-07-05

Core-shell-shell heterostructures of α-NaLuF4:Yb/Er@NaLuF4:Yb@MF2 (M = Ca, Sr, Ba) have been successfully fabricated via the thermal decomposition method. Upconversion nanoparticles (UCNPs) were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), upconversion luminescence (UCL) spectroscopy, etc. Under 980 nm excitation, the emission intensities of the UCNPs are remarkably enhanced after coating the MF2 (M = Ca, Sr, and Ba) shell. Among these samples, CaF2 coated UCNPs show the strongest overall emission, while BaF2 coated UCNPs exhibit the longest lifetime. These results demonstrate that alkaline earth metal fluorides are ideal materials to improve the UCL properties. Meanwhile, although the lattice mismatch between the ternary NaREF4 core and the binary MF2 (M = Sr and Ba) shell is relatively large, the successfully synthesized NaLuF4:Yb/Er@NaLuF4:Yb@MF2 indicates a new outlook on the fabrication of heterostructural core-shell UCNPs.

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

PubMed Central

Parker, David; Singh, David J

2013-01-01

We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature. PMID:27877610

A revisit to model the Cr i triplet at 5204-5208 Å and the Ba ii D2 line at 4554 Å in the Second Solar Spectrum

NASA Astrophysics Data System (ADS)

Smitha, H. N.; Nagendra, K. N.; Stenflo, J. O.; Bianda, M.; Sampoorna, M.; Ramelli, R.

2015-10-01

In our previous attempt to model the Stokes profiles of the Cr i triplet at 5204-5208 Å and the Ba ii D2 at 4554 Å, we found it necessary to slightly modify the standard FAL model atmospheres to fit the observed polarization profiles. In the case of Cr i triplet, this modification was done to reduce the theoretical continuum polarization, and in the case of Ba ii D2, it was needed to reproduce the central peak in Q/I. In this work, we revisit both these cases using different standard model atmospheres whose temperature structures closely resemble those of the modified FAL models, and explore the possibility of synthesizing the line profiles without the need for small modifications of the model atmosphere.

Study on possible correlation of superconductivity with defects and superparamagnetism in undoped AFe2As2 with A =Ca, Sr and Ba

NASA Astrophysics Data System (ADS)

Zhao, Kui; Lv, Bing; Deng, Liangzi; Xue, Yuyi; Chu, Paul; High pressure low temperature lab Team

2014-03-01

Extensive studies have been carried out on the induction of bulk superconductivity in the Fe-pnictide 122 system with a Tc up to 38 K through doping and/or pressure. However, non-bulk superconductivity has also been detected unexpectedly in undoped AFe2As2 where A = Ca, Sr, and Ba with Tc = ~12K, ~22K and ~23K, respectively. The reason for the observation remains unknown. Recently, systematic investigation shows that highly anisotropic superconductivity with a Tc up to 49 K and superparamagnetism occur in rare-earth doped Ca122. Further examination reveals slight deviation from the 1:2:2 stoichiometry which correlates closely with the occurrence of non-bulk superconductivity and superparamagnetism in these samples. We have therefore decided to investigate systematically the stoichiometry, defects, magnetism and superconductivity in undoped AFe2As2 single crystals under different synthesis conditions where A = Ca, Sr, and Ba. Results will be presented and discussed.

Crystal structure and electrical conductivity of lanthanum-calcium chromites-titanates La 1-xCa xCr 1-yTi yO 3-δ ( x=0-1, y=0-1)

NASA Astrophysics Data System (ADS)

Vashook, V.; Vasylechko, L.; Zosel, J.; Gruner, W.; Ullmann, H.; Guth, U.

2004-10-01

Five series of perovskite-type compounds in the system La1-xCaxCr1-yTiyO3 with the nominal compositions y = 0 , x = 0 - 0.5 ; y = 0.2 , x = 0.2 - 0.8 ; y = 0.5 , x = 0.5 - 1.0 ; y = 0.8 , x = 0.6 - 1.0 and y = 1 , x = 0.8 - 1 were synthesized by a ceramic technique in air (final heating 1350 °C). On the basis of the X-ray analysis of the samples with (Ca/Ti)⩾1, the phase diagram of the CaTiO3-LaCrIIIO3-CaCrIVO3 quasi-ternary system was constructed. Extended solid solution with a wide homogeneity range is formed in the quasi-ternary system CaCrIVO3-CaTiO3-LaCrIIIO3. The solid solution La(1-x‧-y)Ca(x‧+y)CrIVx‧CrIII(1-x‧-y)TiyO3 exists by up to 0.6-0.7 mol fractions of CaCrIVO3 (x‧ < 0.6 - 0.7) at the experimental conditions. The crystal structure of the compounds is orthorhombic in the space group Pbnm at room temperature. The lattice parameters and the average interatomic distances of the samples within the solid solution ranges decrease uniformly with increasing Ca content. Outside the quasi-ternary system, the nominal compositions La0.1Ca0.9TiO3, La0.2Ca0.8TiO3, La0.4Ca0.6Cr0.2Ti0.8O3 and La0.3Ca0.7Cr0.2Ti0.8O3 in the system La1-xCaxCr1-yTiyO3 were found as single phases with an orthorhombic structure. In the temperature range between 850 and 1000 °C, the synthesized single-phase compositions are stable at pO2=6×10-16-0.21×105 Pa. Oxygen stoichiometry and electrical conductivity of the separate compounds were investigated as functions of temperature and oxygen partial pressure. The chemical stability of these oxides with respect to oxygen release during thermal dissociation decreases with increasing Ca-content. At 900 °C and oxygen partial pressure 1×10-15-0.21×105 Pa, the compounds with x > y (acceptor doped) are p-type semiconductors and those with x < y (donor doped) and x = y are n-type semiconductors. The type and level of electrical conductivity are functions of the concentration ratios of cations occupying the B-sites of the perovskite

Electronic structure and vacancy formation in La(1 - x) B(x) CoO3 (B=Mg,Ca,Ba and x=0.125)

NASA Astrophysics Data System (ADS)

Salawu, Omotayo; Gan, Liyong; Schwingenschlogl, Udo

2015-03-01

The LaCoO3 class of materials is of interest for cathodes of solid oxide fuel cells. Spin-polarized density functional theory is applied to cubic La0.75(Mg/Ca/Ba)0.125CoO3. The effect of this cation doping on the electronic and magnetic properties as well as oxygen vacancy formation energy is studied. Oxygen vacancies with proximity to the dopant are energetically favourable in most cases. We discuss the effect of distortions of the CoO6 octahedron on the electronic structure and the formation energy of oxygen vacancies. The order of formation oxygen is found to be Mg > Ca > Ba. Cation doping incorporates holes to the Co-O network which enhances the oxygen vacancy formation.

Fabrication of lead-free piezoelectric Li2CO3-added (Ba,Ca)(Ti,Sn)O3 ceramics under controlled low oxygen partial pressure and their properties

NASA Astrophysics Data System (ADS)

Noritake, Kouta; Sakamoto, Wataru; Yuitoo, Isamu; Takeuchi, Teruaki; Hayashi, Koichiro; Yogo, Toshinobu

2018-02-01

Reduction-resistant lead-free (Ba,Ca)(Ti,Sn)O3 piezoceramics with high piezoelectric constants were fabricated by optimizing the amount of Li2CO3 added. Oxygen partial pressure was controlled during the sintering of (Ba,Ca)(Ti,Sn)O3 ceramics in a reducing atmosphere using H2-CO2 gas. Enhanced grain growth and a high-polarization state after poling treatment were achieved by adding Li2CO3. Optimizing the amount of Li2CO3 added to (Ba0.95Ca0.05)(Ti0.95Sn0.05)O3 ceramics sintered under a low oxygen partial pressure resulted in improved piezoelectric properties while maintaining the high sintered density. The prepared Li2CO3-added ceramic samples had homogeneous microstructures with a uniform dispersion of each major constituent element. However, the residual Li content in the 3 mol % Li2CO3-added (Ba0.95Ca0.05)(Ti0.95Sn0.05)O3 ceramics after sintering was less than 0.3 mol %. Sintered bodies of this ceramic prepared in a CO2 (1.5%)-H2 (0.3%)/Ar reducing atmosphere (PO2 = 10-8 atm at 1350 °C), exhibited sufficient electrical resistivity and a piezoelectric constant (d 33) exceeding 500 pC/N. The piezoelectric properties of this nonreducible ceramic were comparable or superior to those of the same ceramic sintered in air.

Quasi-2D silicon structures based on ultrathin Me2Si (Me = Mg, Ca, Sr, Ba) films

NASA Astrophysics Data System (ADS)

Migas, D. B.; Bogorodz, V. O.; Filonov, A. B.; Borisenko, V. E.; Skorodumova, N. V.

2018-04-01

By means of ab initio calculations with hybrid functionals we show a possibility for quasi-2D silicon structures originated from semiconducting Mg2Si, Ca2Si, Sr2Si and Ba2Si silicides to exist. Such a 2D structure is similar to the one of transition metal chalcogenides where silicon atoms form a layer in between of metal atoms aligned in surface layers. These metal surface atoms act as pseudo passivation species stabilizing crystal structure and providing semiconducting properties. Considered 2D Mg2Si, Ca2Si, Sr2Si and Ba2Si have band gaps of 1.14 eV, 0.69 eV, 0.33 eV and 0.19 eV, respectively, while the former one is also characterized by a direct transition with appreciable oscillator strength. Electronic states of the surface atoms are found to suppress an influence of the quantum confinement on the band gaps. Additionally, we report Sr2Si bulk in the cubic structure to have a direct band gap of 0.85 eV as well as sizable oscillator strength of the first direct transition.

Structural, electronic, optical and thermoelectric investigations of antiperovskites A3SnO (A = Ca, Sr, Ba) using density functional theory

NASA Astrophysics Data System (ADS)

Hassan, M.; Shahid, A.; Mahmood, Q.

2018-02-01

Density functional theory study of the structural, electrical, optical and thermoelectric behaviors of very less investigated anti-perovskites A3SnO (A = Ca, Sr, Ba) is performed with FP-LAPW technique. The A3SnO exhibit narrow direct band gap, in contrast to the wide indirect band gap of the respective perovskites. Hence, indirect to direct band gap transformation can be realized by the structural transition from perovskite to anti-perovskite. The p-p hybridization between A and O states result in the covalent bonding. The transparency and maximum reflectivity to the certain energies, and the verification of the Penn's model indicate potential optical device applications. Thermoelectric behaviors computed within 200-800 K depict that Ca3SnO exhibits good thermoelectric performance than Ba3SnO and Sr3SnO, and all three operate at their best at 800 K suggesting high temperature thermoelectric device applications.

Negative voltage modulated multi-level resistive switching by using a Cr/BaTiOx/TiN structure and quantum conductance through evidence of H2O2 sensing mechanism.

PubMed

Chakrabarti, Somsubhra; Ginnaram, Sreekanth; Jana, Surajit; Wu, Zong-Yi; Singh, Kanishk; Roy, Anisha; Kumar, Pankaj; Maikap, Siddheswar; Qiu, Jian-Tai; Cheng, Hsin-Ming; Tsai, Ling-Na; Chang, Ya-Ling; Mahapatra, Rajat; Yang, Jer-Ren

2017-07-05

Negative voltage modulated multi-level resistive switching with quantum conductance during staircase-type RESET and its transport characteristics in Cr/BaTiO x /TiN structure have been investigated for the first time. The as-deposited amorphous BaTiO x film has been confirmed by high-resolution transmission electron microscopy. X-ray photo-electron spectroscopy shows different oxidation states of Ba in the switching material, which is responsible for tunable more than 10 resistance states by varying negative stop voltage owing to slow decay value of RESET slope (217.39 mV/decade). Quantum conductance phenomenon has been observed in staircase RESET cycle of the memory devices. By inspecting the oxidation states of Ba + and Ba 2+ through measuring H 2 O 2 with a low concentration of 1 nM in electrolyte/BaTiO x /SiO 2 /p-Si structure, the switching mechanism of each HRS level as well as the multi-level phenomenon has been explained by gradual dissolution of oxygen vacancy filament. Along with negative stop voltage modulated multi-level, current compliance dependent multi-level has also been demonstrated and resistance ratio up to 2000 has been achieved even for a thin (<5 nm) switching material. By considering oxidation-reduction of the conducting filaments, the current-voltage switching curve has been simulated as well. Hence, multi-level resistive switching of Cr/BaTiO x /TiN structure implies the promising applications in high dense, multistate non-volatile memories in near future.

Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3

NASA Astrophysics Data System (ADS)

Nahas, Yousra; Akbarzadeh, Alireza; Prokhorenko, Sergei; Prosandeev, Sergey; Walter, Raymond; Kornev, Igor; Íñiguez, Jorge; Bellaiche, L.

2017-06-01

In light of directives around the world to eliminate toxic materials in various technologies, finding lead-free materials with high piezoelectric responses constitutes an important current scientific goal. As such, the recent discovery of a large electromechanical conversion near room temperature in (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 compounds has directed attention to understanding its origin. Here, we report the development of a large-scale atomistic scheme providing a microscopic insight into this technologically promising material. We find that its high piezoelectricity originates from the existence of large fluctuations of polarization in the orthorhombic state arising from the combination of a flat free-energy landscape, a fragmented local structure, and the narrow temperature window around room temperature at which this orthorhombic phase is the equilibrium state. In addition to deepening the current knowledge on piezoelectricity, these findings have the potential to guide the design of other lead-free materials with large electromechanical responses.

Domain structures and Prco antisite point defects in double-perovskite PrBaCo2O5+δ and PrBa0.8Ca0.2Co2O5+δ.

PubMed

Ding, Yong; Chen, Yu; Pradel, Ken C; Zhang, Weilin; Liu, Meilin; Wang, Zhong Lin

2018-06-15

Owing to the excellent mixed-ionic and electronic conductivity and fast oxygen kinetics at reduced temperature (<800 °C), double-perovskite oxides such as PrBaCo 2 O 5+δ exhibit excellent properties as an oxygen electrode for solid oxide fuel cells (SOFCs). Using transmission electron microscopy (TEM), we revealed high-density antiphase domain boundaries (APBs) and 90° domain walls in PrBaCo 2 O 5+δ grains. Besides the regular lamellar 90° domain walls in {021} planes, irregular fine 90° domains are attached to the curved APBs. Electron energy-loss spectroscopy (EELS) reveals the composition variation across some of the 90° domain walls. There are fewer Co and more Ba ions approaching the 90° domain walls, while the changes in Pr and O ions are not detectable. We assume that the extra Ba 2+ cations replace the Pr 3+ cations, while the Pr 3+ cations go to the Co site to form Pr Co antisite point defects and become Pr 4+ . In this case, the Pr 4+ cations will help to balance the local charges and have compatible ionic radius with that of Co 3+ . The local strain field around the 90° domain walls play a crucial role in the stabilization of such Pr Co antisite point defects. The antisite point defects have been observed in our high-resolution TEM images and aberration-corrected high-angle annular dark-field (HAADF) scanning TEM images. After Ca 2+ doped into PrBaCo 2 O 5+δ to improve the structure stability, we observed tweed structures in the PrBa 0.8 Ca 0.2 Co 2 O 5+δ grain. The tweed structure is composed of high-density intersected needle-shaped 90° domain walls, which is linked to a strong local strain field and composition variation. Even when the temperature is increased to 750 °C, the domain structures are still stable as revealed by our in situ TEM investigation. Therefore, the influence of the domain structures and the Pr Co antisite defects on the ionic and electric conductivities must be considered. Copyright © 2018. Published by Elsevier

Luminescence Properties of Self-Activated Mm(VO4)2 (M = Mg, Ca, Sr, and Ba) Phosphors Synthesized by Solid-State Reaction Method.

PubMed

Min, Xin; Huang, Zhaohui; Fang, Minghao; Liu, Yan'gai; Tang, Chao; Wu, Xiaowen

2016-04-01

In this paper, M3(VO4)2 (M = Mg, Ca, Sr, and Ba) self-activated phosphors were prepared by a solid-state reaction method at 1,000 °C for 5 h. The phase formation and micrographs were analyzed by X-ray diffraction and scanning electron microscopy. The Ca3(VO4)2 phosphor does not show any emission peaks under excitation with ultraviolet (UV) light. However, the M3(VO4)2 (M = Mg, Sr, and Ba) samples are effectively excited by UV light chips ranging from 200 nm to 400 nm and exhibit broad emission bands due to the charge transfer from the oxygen 2p orbital to the vacant 3d orbital of the vanadium in the VO4. The color of these phosphors changes from yellow to light blue via blue-green with increasing ionic radius from Mg to Sr to Ba. The luminescence lifetimes and quantum yield decrease with the increasing unit cell volume and V-V distance, in the order of Mg3(VO4)2 to Sr3(VO4)2 to Ba3(VO4)2. The emission intensity decreases with the increase of temperatures, but presents no color shift. This confirms that these self-activated M3(VO4)2 phosphors can be suggested as candidates of the single-phase phosphors for light using UV light emitting diodes (LEDs).

Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

NASA Astrophysics Data System (ADS)

Hassan, M.; Arshad, I.; Mahmood, Q.

2017-11-01

We report the structural, electronic, optical and thermoelectric (TE) properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA. The computations are done by using the most recently introduced modified Becke-Johnson potential. It has been observed that the cubic lattice constant increases as the cations change from Ca to Ba, consequently, the bulk modulus reduces. The bottom of conduction band shows strong hybridization between Pb-6p, O-2p and X-s states, in contrast, valence band maxima are mainly manufactured by Pb-6p states. The anti-perovskites exhibit narrow direct band gap that show an inverse relation to the static real dielectric constants that verifies Penn’s model. In addition, the X cations induced tuning of the absorption edge in the visible and the ultraviolet energy suggest optical device applications. The computed TE parameters have been found sensitive to the X cations and have been demonstrated to be best suited for the TE devices operating at high temperatures.

Cross sections for He and Ne isotopes in natural Mg, Al, and Si, He isotopes in CaF2, Ar isotopes in natural Ca, and radionuclides in natural Al, Si, Ti, Cr, and stainless steel induced by 12- to 45-MeV protons

NASA Technical Reports Server (NTRS)

Walton, J. R.; Heymann, D.; Yaniv, A.; Edgerley, D.; Rowe, M. W.

1976-01-01

Stacks of thin Mg, Al, Si, Ca, CaF2, Ti, and stainless steel foils were bombarded in twelve irradiations by a variable energy cyclotron. Cross sections are reported for He and Ne in natural Mg, Al, and Si, and for He in CaF2, and for Ar in natural Ca, as determined from mass spectrometer analysis of the inert gases. In addition, cross sections of Na-22 in natural Al and Si, of V-48 in natural Ti, and of Cr-51, Mn-52, and Co-57 in stainless steel are reported. From these were deduced Cr-51 and Mn-52 cross sections in natural Cr.

A single-phase white light emitting Pr3+ doped Ba2CaWO6 phosphor: synthesis, photoluminescence and optical properties

NASA Astrophysics Data System (ADS)

Sreeja, E.; Vidyadharan, Viji; Jose, Saritha K.; George, Anns; Joseph, Cyriac; Unnikrishnan, N. V.; Biju, P. R.

2018-04-01

Pr3+ doped Ba2CaWO6 phosphor were prepared by traditional high-temperature solid-state reaction technique. The structure evolution was systematically investigated by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. The X-ray powder diffraction patterns indicate that the prepared phosphors crystallized in the cubic double-perovskite structure. The functional groups were identified using FTIR spectra and the elements present in the composition were confirmed by the EDS profile. The morphology of the phosphor was identified using SEM and TEM analysis. The PL spectra illustrated that these phosphors could be efficiently excited by charge transfer band of host and the maximum luminescence intensity was observed at 0.06 wt% of Pr3+ ion. Upon the charge transfer band excitation, emission spectra showed peaks at 489, 532, 647, 685 and 737 nm corresponding to 3P0→3H4, 3P1→3H5, 3P0→3F2, 3P0→3F3 and 3P0→3F4 transitions respectively. The concentration quenching of Ba2CaWO6:Pr3+ phosphor can be mainly attributed to dipole-dipole interaction. The CIE coordinates were estimated to be close to the white region. The decay curves are well fitted with double exponential decay models. The standard and modified Judd-Ofelt (JO) theories were used to determine the Judd-Ofelt intensity parameters, radiative transition probabilities and branching ratios. The optical properties indicate that Ba2CaWO6:Pr3+ phosphors can produce white light emission from a single phase host and its potential application for solid-state lighting and display devices.

Electrical and magnetic properties of La0.67Ba0.33Mn1- x (Me) x O3 perovskite manganites: case of manganese substituted by trivalent (Me = Cr) and tetravalent (Me = Ti) elements

NASA Astrophysics Data System (ADS)

Oumezzine, Marwène; Peña, Octavio; Kallel, Sami; Kallel, Nabil; Guizouarn, Thierry; Gouttefangeas, Francis; Oumezzine, Mohamed

2014-03-01

The effects of non-magnetic Ti4+ substitution on the structural, electrical and magnetic properties of La0.67Ba0.33Mn1- x Ti x O3 (0≤ x≤0.1) are investigated and compared to those existing in La0.67Ba0.33Mn1- x Cr x O3 (magnetic Cr3+). The structural refinement by the Rietveld method revealed that Ti-doped samples crystallize in the cubic lattice with space group , while samples with Cr crystallize in the hexagonal setting of the rhombohedral space group for identical contents of dopant. The most relevant structural features are an increase of the lattice parameters, of the cell volume and of the inter-ionic distances with increasing Ti doping level. Both series of samples show a decrease of the paramagnetic-ferromagnetic transition temperature when the amount of chromium or titanium increases. Transport measurements show that when increasing the metal doping, the resistivity increases whereas the metallic behavior of the parent compound La0.67Ba0.33MnO3 is destroyed. For a substitution higher than 5 at.% of Ti and 10 at.% of Cr, the samples exhibit a semiconducting behavior in the whole range of temperature, for which the electronic transport can be explained by variable range hopping and/or small polaron hopping models.

Fluorine Kα X-Ray Emission Spectra of MgF2, CaF2, SrF2 and BaF2

NASA Astrophysics Data System (ADS)

Sugiura, Chikara; Konishi, Wataru; Shoji, Shizuko; Kojima, Shinjiro

1990-11-01

The fluorine Kα emission spectra in fluorescence from a series of alkaline-earth fluorides MF2 (M=Mg, Ca, Sr and Ba) are measured with a high-resolution two-crystal vacuum spectrometer. An anomalously low intensity of the K1L1 satellite peak arising from 1s-1(2s2p)-1 initial states is observed for SrF2. The measured emission spectra are presented along with the UPS spectra of the F- 2p valence bands obtained by Poole et al. and the fluorine K absorption-edge spectra by Oizumi et al. By using these spectra, the first peak or shoulder in the fluorine K absorption-edge spectra is identified as being due to a core exciton which is formed below the bottom of the conduction band. The binding energy of the exciton is estimated to be 1.3(± 0.3), 1.1(± 0.2), 1.0(± 0.2) and 1.7(± 0.2) eV for MgF2, CaF2, SrF2 and BaF2, respectively.

Synthesis of superconducting phases in Tl-Ba-Ca-Cu-O system

NASA Astrophysics Data System (ADS)

Bayya, S. S.; Stangle, G. C.; Snyder, R. L.

1992-04-01

This paper describes various novel processing techniques for the synthesis of superconducting phases in the Ti-Ba-Ca-Cu-O system. A Self propagating high temperature synthesis technique has been used to synthesize phase pure 2212 and 2223. Various engineering parameters are identified for this process. A glass-ceramic (melt quench) technique with subsequent post heat-treatment produced pure 2201 and 2212 phases. Tl2O3 itself is not a very good glass former and the addition of other glass formers is necessary to form stable glasses. Only the gallate glass system has been found to stabilize the 2201 and 2212 superconducting phases. Molten salt synthesis studies showed that the superconducting phases in the thallium system are stable in the NaCl-KCl eutectic salt system. Highly textured 2201 grains (about 60 μm×60 ¯ platelets) were grown by this technique. Various potential applications of these techniques are also discussed.

Hydration energies and structures of alkaline earth metal ions, M2+(H2O)n, n = 5-7, M = Mg, Ca, Sr, and Ba.

PubMed

Rodriguez-Cruz, S E; Jockusch, R A; Williams, E R

1999-09-29

The evaporation of water from hydrated alkaline earth metal ions, produced by electrospray ionization, was studied in a Fourier transform mass spectrometer. Zero-pressure-limit dissociation rate constants for loss of a single water molecule from the hydrated divalent metal ions, M(2+)(H(2)O)(n) (M = Mg, Ca, and Sr for n = 5-7, and M = Ba for n = 4-7), are measured as a function of temperature using blackbody infrared radiative dissociation. From these values, zero-pressure-limit Arrhenius parameters are obtained. By modeling the dissociation kinetics using a master equation formalism, threshold dissociation energies (E(o)) are determined. These reactions should have a negligible reverse activation barrier; therefore, E(o) values should be approximately equal to the binding energy or hydration enthalpy at 0 K. For the hepta- and hexahydrated ions at low temperature, binding energies follow the trend expected on the basis of ionic radii: Mg > Ca > Sr > Ba. For the hexahydrated ions at high temperature, binding energies follow the order Ca > Mg > Sr > Ba. The same order is observed for the pentahydrated ions. Collisional dissociation experiments on the tetrahydrated species result in relative dissociation rates that directly correlate with the size of the metals. These results indicate the presence of two isomers for hexahydrated magnesium ions: a low-temperature isomer in which the six water molecules are located in the first solvation shell, and a high-temperature isomer with the most likely structure corresponding to four water molecules in the inner shell and two water molecules in the second shell. These results also indicate that the pentahydrated magnesium ions have a structure with four water molecules in the first solvation shell and one in the outer shell. The dissociation kinetics for the hexa- and pentahydrated clusters of Ca(2+), Sr(2+), and Ba(2+) are consistent with structures in which all the water molecules are located in the first solvation shell.

Synthesis and coordination chemistry of TpC*MI complexes where M=Mg, Ca, Sr, Ba and Zn and TpC*=tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate.

PubMed

Chisholm, Malcolm H; Gallucci, Judith C; Yaman, Gulsah

2009-01-14

Reactions involving MI2 where M=Mg, Ca, Sr, Ba or Zn and M'TpC* where M'=Na or Tl and TpC*=tris[3-methoxy-1,1-dimethyl)pyrazolyl]hydroborate in tetrahydrofuran are described leading to the isolation and characterization of the complexes TpC*MgI, , TpC*CaI, , TpC*SrI, , TpC*SrI(THF), , TpC*BaI, , TpC*BaI(pz*H), , where pz*H=3-(2-methoxyl-1,1-dimethyl)pyrazole, TpC*BaI.1/2toluene, and TpC*ZnI, . The compounds , , , , and have been characterized by single-crystal X-ray crystallography. Compounds and are isostructural and are salt-like containing kappa6-TpM+ cations and I- anions. In all other structures, the iodide is bound to the metal and TpC* is kappa6 bonded to the group 2 M(2+) ions. Reactions involving TpC*CaI, , and sodium or lithium alkoxides or amides failed to yield the amide or alkoxide calcium TpC* derivative, though related reactions involving TpC*ZnI, , and KOSiMe3 proceeded quantitatively to yield kappa3TpC*ZnOSiMe3, , which was also structurally characterized and shown to have the kappa3-TpC* bound ligand.

Structural studies of the rhombohedral and orthorhombic monouranates: CaUO{sub 4}, α-SrUO{sub 4}, β-SrUO{sub 4} and BaUO{sub 4}

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

Murphy, Gabriel; Kennedy, Brendan J., E-mail: kennedyb@chem.usyd.edu.au; Johannessen, Bernt

The structures of some AUO{sub 4} (A=Ca, Sr, or Ba) oxides have been determined using a combination of neutron and synchrotron X-ray diffraction, supported by X-ray absorption spectroscopic measurements at the U L{sub 3}-edge. The smaller Ca cation favours a rhombohedral AUO{sub 4} structure with 8-coordinate UO{sub 8} moieties whilst an orthorhombic structure based on UO{sub 6} groups is found for BaUO{sub 4}. Both the rhombohedral and orthorhombic structures can be stabilised for SrUO{sub 4}. The structural studies suggest that the bonding requirements of the A site cation play a significant role in determining which structure is favoured. In themore » rhombohedral structure, Bond Valence Sums demonstrate the A site is invariably overbonded, which, in the case of rhombohedral α-SrUO{sub 4}, is compensated for by the formation of vacancies in the oxygen sub-lattice. The uranium cation, with its flexible oxidation state, is able to accommodate this by inducing vacancies along its equatorial coordination site as demonstrated by neutron powder diffraction. - Graphical abstract: Diffraction studies of AUO{sub 4} (A = Ca, Sr, or Ba) oxides reveal the importance of the bonding requirements of the A site cation in determining whether the structure is rhombohedral or orthorhombic. - Highlights: • Structures of AUO{sub 4} ( A = Ca Sr, Ba) refined against X-ray and Neutron diffraction. • The alkali cations size has a dramatic effect on the crystal structure. • Smaller cations favouring a rhombohedral structure. • Oxygen vacancies to stabilise the rhombohedral structure in SrUO{sub 4}.« less

Trace element study in scallop shells by laser ablation ICP-MS: the example of Ba/Ca ratios

NASA Astrophysics Data System (ADS)

Lorrain, A.; Pécheyran, C.; Paulet, Y.-M.; Chauvaud, L.; Amouroux, D.; Krupp, E.; Donard, O.

2003-04-01

As scallop shells grow incrementally at a rate of one line per day, environmental changes could then be evidenced on a daily basis. As an example for trace element incorporation studies, barium is a geochemical tracer that can be directly related to oceanic primary productivity. Hence, monitoring Ba/Ca variations in a scallop shell should give information about phytoplanktonic events encountered day by day during its life. The very high spatial resolution (typically 40 - 200 µm) and the high elemental sensitivity required can only be achieved by the combination of laser ablation coupled to inductively coupled plasma mass spectrometry. This study demonstrates that Laser ablation coupled to ICP-MS determination is a relevant tool for high resolution distribution measurement of trace elements in calcite matrix. The ablation strategy related to single line rastering and calcium normalisation were found to be the best analytical conditions in terms of reproducibility and sensitivity. The knowledge of P. maximus growth rings periodicity (daily), combined with LA-ICP-MS micro analysis allows the acquisition of time dated profiles with high spatial and thus temporal resolution. This resolution makes P. maximus a potential tool for environmental reconstruction and especially for accurate calibration of proxies. However, the relations among Ba/Ca peaks and phytoplanktonic events differed according to the animals and some inter-annual discrepancies complexify the interpretation.

Improved dielectric properties of BaTiO3-added CaCu3Ti4O12 polycrystalline ceramics

NASA Astrophysics Data System (ADS)

Kim, Hui Eun; Choi, Soon-Mi; Lee, Sung-Yun; Hong, Youn-Woo; Yoo, Sang-Im

2013-05-01

The effects of the BaTiO3 (BTO) additive on the electrical properties of CaCu3Ti4O12 (CCTO) polycrystalline ceramics were systematically investigated. Various amounts of BTO powder up to 15 mol. % were added to CCTO powder. Each batch was ball-milled, pressed into pellets, and finally sintered at 1060°C for 12 h in air. Compared with pure CCTO sample ( ɛ r ˜ 52,000 and tan δ ˜ 0.38 at 100 kHz), BTO-added CCTO samples commonly showed significantly reduced dielectric losses although their dielectric constants were decreased approximately by one order of magnitude (for instance, ɛ r ˜ 4,075 and tan δ ˜ 0.02 at 100 kHz for 5 mol. % BTO-added CCTO sample). In addition, the breakdown voltages of BTO-added CCTO samples were much higher than that of pure CCTO sample, and thus the leakage currents were greatly reduced at the applied voltage above ˜ 10 V. A large reduction in the dielectric losses and leakage currents is attributed to the secondary phases segregated at the CCTO grain boundary which are composed of CaTiO3, Ba4Ti12O27, and unreacted BTO.

How does the spin-state of Co ions affect the insulator-metal transition in Bi2A2Co2O8 (A = Ca, Sr, Ba)?

PubMed Central

Huang, Xiaokun; Zhang, Weiyi

2016-01-01

The misfit layered Bi2A2Co2O8 (A = Ca, Sr, Ba) compounds experience an insulator to metal transition as A’s ionic radius increases. This feature is contradictory to the conventional wisdom that larger lattice constant favors insulating rather than metallic state, and is also difficult to be reconciled using the Anderson weak localization theory. In this paper, we show from the first-principles calculation that an insulator-metal transition takes place from a nonmagnetic low-spin state of Co3+ ions to a hexagonally arranged intermediate-spin low-spin mixed-state in CoO2 plane when ionic radius increases from Ca to Ba. The predicted low-spin state of Bi2Ca2Co2O8 and Bi2Sr2Co2O8 and intermediate-spin low-spin mixed-state of Bi2Ba2Co2O8 are consistent not only with their measured transport properties, but also with the magnetic-field suppressed specific-heat peak observed at the transition temperature. In agreement with experiments, strong electronic correlation is required to stabilize the low-spin insulator and intermediate-spin low-spin metal. PMID:27901119

How does the spin-state of Co ions affect the insulator-metal transition in Bi2A2Co2O8 (A = Ca, Sr, Ba)?

PubMed

Huang, Xiaokun; Zhang, Weiyi

2016-11-30

The misfit layered Bi 2 A 2 Co 2 O 8 (A = Ca, Sr, Ba) compounds experience an insulator to metal transition as A's ionic radius increases. This feature is contradictory to the conventional wisdom that larger lattice constant favors insulating rather than metallic state, and is also difficult to be reconciled using the Anderson weak localization theory. In this paper, we show from the first-principles calculation that an insulator-metal transition takes place from a nonmagnetic low-spin state of Co 3+ ions to a hexagonally arranged intermediate-spin low-spin mixed-state in CoO 2 plane when ionic radius increases from Ca to Ba. The predicted low-spin state of Bi 2 Ca 2 Co 2 O 8 and Bi 2 Sr 2 Co 2 O 8 and intermediate-spin low-spin mixed-state of Bi 2 Ba 2 Co 2 O 8 are consistent not only with their measured transport properties, but also with the magnetic-field suppressed specific-heat peak observed at the transition temperature. In agreement with experiments, strong electronic correlation is required to stabilize the low-spin insulator and intermediate-spin low-spin metal.

Electronic structure and O vacancy formation/migration in La0.825(Mg/Ca/Ba)0.125CoO3

NASA Astrophysics Data System (ADS)

Omotayo Akande, Salawu; Gan, Li-Yong; Schwingenschlögl, Udo

2016-04-01

The effect of A-site hole doping (Mg2+, Ca2+ or Ba2+) on the electronic and magnetic properties as well as the O vacancy formation and migration in perovskite LaCoO3 is studied using first-principles calculations. All three dopants are found to facilitate O vacancy formation. Substitution of La3+ with Ba2+/Mg2+ yields the lowest O vacancy formation energy for low/intermediate spin Co, implying that not only the structure but also the spin state of Co is a key parameter. Only for low spin Co the ionic radius is correlated with the O migration barrier. Enhanced migration for intermediate spin Co is ascribed to the availability of additional space at the transition state.

Structural, Optical and Impedance Spectroscopic Characterizations of Nanocrystalline A2Ti2Zr5O16 (A = Mg, Ca, Ba and Sr)

NASA Astrophysics Data System (ADS)

Sandeep, K.; Thomas, Jijimon K.; Solomon, Sam

2018-04-01

A nanocrystalline A2Ti2Zr5O16 (A = Mg, Ca, Ba and Sr) system has been synthesized by a modified combustion technique. The cation-deficient calzirtite (Ca2Ti2Zr5O16) is found to be a tetragonal structure with the space group I4(1)/acd. The average size of the particle from the transmission electron microscopy image is estimated to be 23.30 nm and 20.16 nm for Ca2Ti2Zr5O16 and Ba2Ti2Zr5O16, respectively. The optical bandgap calculated using a Tauc plot is between 3.01 eV and 3.46 eV. Raman and Fourier transform infrared spectroscopy (FTIR) studies were carried out to confirm the phase purity of the sample. The scanning electron microscopy (SEM) image of a Ca2Ti2Zr5O16 sample sintered at 1360°C for 3 h shows minimum porosity with 96% of the theoretical density. The frequency-dependent dielectric study shows that the dielectric constant is maximized at low frequencies and decreases as the frequency increases. The Cole-Cole plot reveals that the material exhibits conduction due to the contributions of grain, grain boundary and electrode effects. The photoluminescence spectra of the samples were recorded and the transitions causing emission have been identified.

The effect of Al2O3, CaO, Cr2O3 and MgO on devitrification of silica

NASA Technical Reports Server (NTRS)

Zaplatynsky, Isidor

1988-01-01

The effect of doping on devitrification of vitreous silica was studied at 1100, 1200, and 1300 C. Dispersion of dopants on a molecular scale was accomplished via a sol-gel technique. All dopants accelerated the devitrification of silica but to different degrees. The most active was CaO followed by MgO, Al2O3, and Cr2O3. Pure silica and silica containing Cr2O3 and Al2O3 devitrified to alpha-cristobalite only, whereas silica doped with CaO and MgO produced alpha-quartz and alpha-cristobalite. It appears that prolonged heat treatment would cause alpha-quartz to transform to alpha-cristobalite.

Role of A-site Ca and B-site Zr substitution in BaTiO3 lead-free compounds: Combined experimental and first principles density functional theoretical studies

NASA Astrophysics Data System (ADS)

Keswani, Bhavna C.; Saraf, Deepashri; Patil, S. I.; Kshirsagar, Anjali; James, A. R.; Kolekar, Y. D.; Ramana, C. V.

2018-05-01

We report on the combined experimental and theoretical simulation results of lead-free ferroelectrics, Ba(1-x)CaxTiO3 (x = 0.0-0.3) and BaTi(1-y)ZryO3 (y = 0.0-0.2), synthesized by standard solid state reaction method. First principles density functional calculations are used to investigate the electronic structure, dynamical charges, and spontaneous polarization of these compounds. In addition, the structural, ferroelectric, piezoelectric, and dielectric properties are studied using extensive experiments. The X-ray diffraction and temperature dependent Raman spectroscopy studies indicate that the calcium (Ca) substituted compositions exhibit a single phase crystal structure, while zirconium (Zr) substituted compositions are biphasic. The scanning electron micrographs reveal the uniform and highly dense microstructure. The presence of polarization-electric field and strain-electric field hysteresis loops confirms the ferroelectric and piezoelectric nature of all the compositions. Our results demonstrate higher values for polarization, percentage strain, piezoelectric coefficients, and electrostrictive coefficient compared to those existing in the literature. For smaller substitutions of Ca and Zr in BaTiO3, a direct piezoelectric coefficient (d33) is enhanced, while the highest d33 value (˜300 pC/N) is observed for BaTi0.96Zr0.04O3 due to the biphasic ferroelectric behavior. Calculation of Born effective charges indicates that doping with Ca or Zr increases the dynamical charges on Ti as well as on O and decreases the dynamical charge on Ba. An increase in the dynamical charges on Ti and O is ascribed to the increase in covalency of Ti-O bond that reduces the polarizability of the crystal. A broader range of temperatures is demonstrated to realize the stable phase in the Ca substituted compounds. The results indicate enhancement in the temperature range of applicability of these compounds for device applications. The combined theoretical and experimental study is

Structural and magnetic properties and superconductivity in Ba(Fe 1-xTM x) 2As 2

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

Thaler, Alexander

2012-01-01

We studied the effects on structural and magnetic phase transitions and the emergence of superconductivity in transition metal substituted BaFe 2As 2. We grew four series of Ba(Fe 1-xTM 2) 2As 2 (TM=Ru, Mn, Co+Cr and Co+Mn) and characterized them by crystallographic, magnetic and transport measurements. We also subjected Ba(Fe 1-xCr x) 2As 2 and Ba(Fe 1-xCo x) 2As 2 to heat treatment to explore what changes might be induced.

On the photo-luminescence properties of sol–gel derived undoped and Dy{sup 3+} ion doped nanocrystalline Scheelite type AMoO{sub 4} (A = Ca, Sr and Ba)

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

Jena, Paramananda; Gupta, Santosh K., E-mail: santufrnd@gmail.com; Natarajan, V.

2015-04-15

Nanocrystalline Scheelite type Dy doped AMoO{sub 4} [where A = Ba, Sr and Ca] samples were prepared by acrylamide assisted sol–gel process and characterized by XRD, FT-Raman, FTIR, SEM and photoluminescence (PL). PL of undoped sample shows blue/green emission in CaMoO{sub 4} and SrMoO{sub 4} but multicolour visible emission leading to near white light in BaMoO{sub 4} nanoparticles; the origin of which is explained. It was observed that on doping 0.5 mol% of Dy{sup 3+} in molybdate samples complete energy transfer takes place in case of SrMoO{sub 4} and BaMoO{sub 4}, but host contributed substantially in Dy doped BaMoO{sub 4}more » sample, resulting in biexponential decay. It was also observed that symmetry around Dy{sup 3+} decreases as the size of alkaline earth ion increases. Due to combined blue, yellow and red colour emission in dysprosium doped sample; all samples showed near white light emission under UV and near UV excitation.« less

Crystal growth and physical properties of SrCu2As2, SrCu2Sb2, and BaCu2Sb2

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

Anand, V.K.; Perera, P. Kanchana; Pandey, Abhishek

2012-06-25

We report the growth of single crystals of SrCu2As2, SrCu2Sb2, SrCu2(As0.84Sb0.16)2, and BaCu2Sb2 using the self-flux technique and their structural, magnetic, thermal, and transport properties that were investigated by powder x-ray diffraction (XRD), magnetic susceptibility χ, specific heat Cp, and electrical resistivity ρ measurements versus temperature T from 1.8 to 350 K. Rietveld refinements of XRD patterns for crushed crystals confirm that SrCu2As2 crystallizes in the ThCr2Si2-type body-centered tetragonal structure (space group I4/mmm) and SrCu2Sb2 crystallizes in the CaBe2Ge2-type primitive tetragonal structure (space group P4/nmm). However, as reported previously, BaCu2Sb2 is found to have a large unit cell consisting ofmore » three blocks. Here a ThCr2Si2-type block is sandwiched between two CaBe2Ge2-type blocks along the c axis with an overall symmetry of I4/mmm, as reported, but likely with a monoclinic distortion. The χ data of all these compounds are diamagnetic and reveal nearly T-independent anisotropic behavior. The χ of SrCu2As2 is found to be larger in the ab plane than along the c axis, as also previously reported for pure and doped BaFe2As2, whereas the χ values of SrCu2Sb2 and BaCu2Sb2 are larger along the c axis. This difference in anisotropy appears to arise from the differences between the crystal structures. The finite values of the Sommerfeld linear specific heat coefficients γ and the T dependences of ρ reveal metallic character of all four compounds. The electronic and magnetic properties indicate that these compounds are sp metals with Cu in the nonmagnetic 3d10 electronic configuration corresponding to the oxidation state Cu+1, as previously predicted theoretically for SrCu2As2 by Singh [ Phys. Rev. B 79 153102 (2009)]. We present a brief review of theoretical and experimental work on the doping character of transition metals for Fe in BaFe2As2. The As–As covalent interlayer bond distances in the collapsed-tetragonal (Ca,Sr,Ba

Primary fragmentation pathways of gas phase [M(uracil-H)(uracil)]+ complexes (M=Zn, Cu, Ni, Co, Fe, Mn, Cd, Pd , Mg, Ca, Sr, Ba, and Pb): loss of uracil versus HNCO.

PubMed

Ali, Osama Y; Randell, Nicholas M; Fridgen, Travis D

2012-04-23

Complexes formed between metal dications, the conjugate base of uracil, and uracil are investigated by sustained off-resonance irradiation collision-induced dissociation (SORI-CID) in a Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. Positive-ion electrospray spectra show that [M(Ura-H)(Ura)](+) (M=Zn, Cu, Ni, Co, Fe, Mn, Cd, Pd, Mg, Ca, Sr, Ba, or Pb) is the most abundant ion even at low concentrations of uracil. SORI-CID experiments show that the main primary decomposition pathway for all [M(Ura-H)(Ura)](+) , except where M=Ca, Sr, Ba, or Pb, is the loss of HNCO. Under the same SORI-CID conditions, when M is Ca, Sr, Ba, or Pb, [M(Ura-H)(Ura)](+) are shown to lose a molecule of uracil. Similar results were observed under infrared multiple-photon dissociation excitation conditions, except that [Ca(Ura-H)(Ura)](+) was found to lose HNCO as the primary fragmentation product. The binding energies between neutral uracil and [M(Ura-H)](+) (M=Zn, Cu, Ni, Fe, Cd, Pd ,Mg, Ca, Sr Ba, or Pb) are calculated by means of electronic-structure calculations. The differences in the uracil binding energies between complexes which lose uracil and those which lose HNCO are consistent with the experimentally observed differences in fragmentation pathways. A size dependence in the binding energies suggests that the interaction between uracil and [M(Ura-H)](+) is ion-dipole complexation and the experimental evidence presented supports this. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydration Energies and Structures of Alkaline Earth Metal Ions, M2+ (H2O)n, n = 5–7, M = Mg, Ca, Sr, and Ba

PubMed Central

Rodriguez-Cruz, Sandra E.; Jockusch, Rebecca A.

2005-01-01

The evaporation of water from hydrated alkaline earth metal ions, produced by electrospray ionization, was studied in a Fourier transform mass spectrometer. Zero-pressure-limit dissociation rate constants for loss of a single water molecule from the hydrated divalent metal ions, M2+(H2O)n (M = Mg, Ca, and Sr for n = 5–7, and M = Ba for n = 4–7), are measured as a function of temperature using blackbody infrared radiative dissociation. From these values, zero-pressure-limit Arrhenius parameters are obtained. By modeling the dissociation kinetics using a master equation formalism, threshold dissociation energies (Eo) are determined. These reactions should have a negligible reverse activation barrier; therefore, Eo values should be approximately equal to the binding energy or hydration enthalpy at 0 K. For the hepta- and hexahydrated ions at low temperature, binding energies follow the trend expected on the basis of ionic radii: Mg > Ca > Sr > Ba. For the hexahydrated ions at high temperature, binding energies follow the order Ca > Mg > Sr > Ba. The same order is observed for the pentahydrated ions. Collisional dissociation experiments on the tetrahydrated species result in relative dissociation rates that directly correlate with the size of the metals. These results indicate the presence of two isomers for hexahydrated magnesium ions: a low-temperature isomer in which the six water molecules are located in the first solvation shell, and a high-temperature isomer with the most likely structure corresponding to four water molecules in the inner shell and two water molecules in the second shell. These results also indicate that the pentahydrated magnesium ions have a structure with four water molecules in the first solvation shell and one in the outer shell. The dissociation kinetics for the hexa- and pentahydrated clusters of Ca2+, Sr2+, and Ba2+ are consistent with structures in which all the water molecules are located in the first solvation shell. PMID:16429612

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].

Ferroelectric, elastic, piezoelectric, and dielectric properties of Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3 Pb-free ceramics

NASA Astrophysics Data System (ADS)

Yuan, Ruihao; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen

2017-07-01

We designed and synthesized a pseudo-binary Pb-free system, Ba(Ti0.7Zr0.3)O3-x(Ba0.82Ca0.18)TiO3, by combining a rhombohedral end (with only cubic to rhombohedral ferroelectric phase transition) and a tetragonal end (with only cubic to tetragonal ferroelectric phase transition). The established composition-temperature phase diagram is characterized by a tricritical point type morphotropic phase boundary (MPB), and the MPB composition has better ferroelectric, piezoelectric, and dielectric properties than the compositions deviating from MPB. Moreover, a full set of material constants (including elastic stiffness constants, elastic compliance constants, piezoelectric constants, dielectric constants, and electromechanical coupling factors) of the MPB composition are determined using a resonance method. The good piezoelectric performance of the MPB composition can be ascribed to the high dielectric constants, elastic softening, and large electromechanical coupling factor.

Ba, B, and U element partitioning in magnesian calcite skeletons of Octocorallia corals

NASA Astrophysics Data System (ADS)

Yoshimura, T.; Suzuki, A.; Iwasaki, N.

2015-01-01

Barium, boron and uranium element partitioning and oxygen and carbon isotope fractionation of high-Mg calcite skeletons of Octocorallia corals were investigated. The dissolved Ba concentration in seawater and the coral Ba/Ca ratio showed a clear positive correlation. The empirically derived barium partition coefficient is comparable to previous data for not only calcitic corals but also intermediate- to deep-water-dwelling scleractinian corals whose skeletons are composed of aragonite. Octocorallia corals are geologically important producers of biominerals, and they provide long-term records (up to hundreds of years) of environmental conditions in the deep ocean. Our data suggest that Ba/Ca ratios in Octocorallia corals may be a useful proxy for nutrients in intermediate and deep waters. The Ba/Ca ratio, a possible proxy for pH or carbonate ion concentration in seawater, showed the largest correlation with δ13C among the examined parameters. This result implies that the pH of the extracytoplasmic calcifying fluid (ECF) simultaneously influences δ18O, δ13C, and Ba/Ca by influencing the relative contributions of dissolved carbon sources in the ECF. Positive correlations of Ba/Ca with δ18 and δ13C suggest that δ18 and δ13C are enriched in light isotopes when conditions are less alkaline, suggesting a potential role of biological alkalinity pumping becomes more favorable with decreasing calcifying fluid pH. Substantial inter- and intra-specimen variations in Ba/Ca suggest that physicochemical factors do not exert a dominant systematic control on U incorporation.

Concentration and emission sources of airborne metals in particulate matter in the industrial district of Médio Paraíba, state of Rio de Janeiro, Brazil.

PubMed

Loyola, Josiane; de Almeida, Pierre Batista; Quiterio, Simone Lorena; Sousa, Célia Regina; Arbilla, Graciela; Escaleira, Viviane; de Carvalho, Maria Isabel; dos Santos Amaral Gomes da Silva, Alzira

2006-11-01

Total suspended particles and 12 airborne metals were determined in 4 sampling sites in the industrial region of Médio Paraíba, Brazil. The geometrical means for the four sampling locals were (in units of microg/m3): 65.9 in Barra Mansa, 57.3 in Jardim Paraíba (Volta Redonda), 41.7 in Resende, and 48.9 in Volta Grande (Volta Redonda). These values are lower than levels previously determined in urban and industrial locals of the Metropolitan Area of Rio de Janeiro. For metals, the higher concentrations were obtained for Ca, Zn, Al, Fe, and Mg. Ca, Zn, and Al levels are higher than those determined in other industrial areas. These three metals are used in steel manufacturing, the main economical activity of the region. Enrichment factors for Zn, Cu, Cd, and Pb are higher than 10, suggesting an industrial input. Statistical analysis show a high correlation among Ca, Mg, Zn, Cr, Al, Mn, and Fe, all of them used as raw materials in steel manufacturing and/or accumulated as industrial blast furnace slag and steelworks slag.

Bonding, moment formation, and magnetic interactions in Ca14MnBi11 and Ba14MnBi11

NASA Astrophysics Data System (ADS)

Sánchez-Portal, D.; Martin, Richard M.; Kauzlarich, S. M.; Pickett, W. E.

2002-04-01

``14-1-11'' phase compounds, based on magnetic Mn ions and typified by Ca14MnBi11 and Ba14MnBi11, show an unusual magnetic behavior, but the large number (104) of atoms in the primitive cell has precluded any previous full electronic structure study. Using an efficient, local-orbital-based method within the local-spin-density approximation to study the electronic structure, we find a gap between a bonding valence-band complex and an antibonding conduction-band continuum. The bonding bands lack one electron per formula unit of being filled, making them low carrier density p-type metals. The hole resides in the MnBi4 tetrahedral unit, and partially compensates for the high-spin d5 Mn moment, leaving a net spin near 4μB that is consistent with experiment. These manganites are composed of two disjoint but interpenetrating ``jungle gym'' networks of spin-4/2 MnBi9-4 units with ferromagnetic interactions within the same network, and weaker couplings between the networks whose sign and magnitude is sensitive to materials parameters. Ca14MnBi11 is calculated to be ferromagnetic as observed, while for Ba14MnBi11 (which is antiferromagnetic) the ferromagnetic and antiferromagnetic states are calculated to be essentially degenerate. The band structure of the ferromagnetic states is very close to half metallic.

Topological insulators double perovskites: A2TePoO6 (A = Ca, Sr, Ba)

NASA Astrophysics Data System (ADS)

Lee, Po-Han; Zhou, Jian; Pi, Shu-Ting; Wang, Yin-Kuo

2017-12-01

Based on first-principle calculations and direct density functional theory calculations of surface bands, we predict a new class of three-dimensional (3D) Z2 topological insulators (TIs) with larger bulk bandgaps up to 0.4 eV in double perovskite materials A2TePoO6 (A = Ca, Sr, and Ba). The larger nontrivial gaps are induced by the symmetry-protected band contact along with band inversion occurring in the absence of spin-orbit coupling (SOC) making the SOC more effective than conventional TIs. The proposed materials are chemically inert and more robust to surface perturbations due to its intrinsic protection layer. This study provides the double perovskite material as a rich platform to design new TI-based electronic devices.

Divalent europium doped CaF 2 and BaF 2 nanocrystals from ionic liquids

DOE PAGES

Anghel, Sergiu; Golbert, Sebastian; Meijerink, Andries; ...

2016-10-11

A new, facile and quick synthesis method for Eu 2+ doped the alkaline earth fluorides was developed using ionic liquids as solvent, precursor and capping agent. Reductive atmosphere and very high temperatures were avoided, while still attaining the desired structure, small particle sizes and divalent oxidation state of the lanthanide. Here, this opens the door for the development of new Ln 2+ doped nanomaterials. Here, the successful Eu 2+ incorporation was proven by optical spectroscopic measurements which showed the spin and parity allowed f-d transitions of Eu 2+ in CaF 2:Eu 2+/BaF 2:Eu 2+. 4f 7-4f 7 transitions could bemore » observed at low temperatures (7 K).« less

Flexible tensile strain sensor based on lead-free 0.5Ba (Ti0.8Zr0.2) O3-0.5(Ba0.7Ca0.3) TiO3 piezoelectric nanofibers

NASA Astrophysics Data System (ADS)

Xing, Lindong; Zhu, Ruijian; Wang, Zengmei; Wang, Fengxia; Kimura, Hideo

2017-09-01

Here, we report our study results of a flexible piezoelectric tensile strain sensor which is fabricated by synthesizing 0.5Ba (Zr0.2Ti0.8) O3-0.5(Ba0.7Ca0.3) TiO3 (0.5BZT-0.5BCT) nanofibers via an electrospinning process. Our nanofibers show an ultrahigh d33 of 275 pm V-1. 0.5BZT-0.5BCT nanofibers and MW-CNTs are dispersed in polydimethylsiloxane (PDMS) to fabricate a highly stretchable and flexible tensile sensor, and the multiple roles of the MW-CNTs are probed and demonstrated. This nanofiber-based piezoelectric tensile strain sensor shows great resolution and sensitivity under external mechanical deformation. It is suitable for applications in complex environments.

Growth, improved thermal stability and spectral properties of Yb3+-ions doped high temperature phase α-Ba3Gd(BO3)3 crystals co-doped by Sr2+, Ca2+ and La3+ ions

NASA Astrophysics Data System (ADS)

Pan, Shangke; Zhang, Jianyu; Pan, Jianguo

2018-02-01

To investigate the cause of the thermal instability of Yb3+-ions doped Ba3Gd(BO3)3 crystal grown from Czochralski technique, the low temperature phase β-Ba3Gd(BO3)3 powder was synthesized at the temperature of 800 °C. To inhibit the phase transition of high temperature phase Yb:α-Ba3Gd(BO3)3 during the crystal growth process, co-doping ions Sr2+, Ca2+ and La3+ ions were introduced in Yb:α-Ba3Gd(BO3)3 crystal. The melting point increased and the thermal stability of Yb:α-Ba3Gd(BO3)3 crystal was improved by co-doping ions. The absorption peaks of co-doped crystals centered at 976 nm with FWHM of 11, 11 and 12 nm and the absorption cross sections were 3.40 × 10-21 cm2, 4.00 × 10-21 cm2 and 2.66 × 10-21 cm2, respectively. The emission cross sections at 1040 nm were 2.19 × 10-21 cm2, 2.53 × 10-21 cm2 and 1.93 × 10-21 cm2, respectively. The fluorescence times of co-doped by Sr2+, Ca2+ and La3+ ions were shorter than that of Yb:α-Ba3Gd(BO3)3 crystal. So Yb:α-Ba3Gd(BO3)3 crystals co-doped by Sr2+, Ca2+ and La3+ ions will be more suitable for LD-pumping laser.

Superconducting transition temperature in the Y(1-x)M(x)Ba2Cu3O(y) system

NASA Astrophysics Data System (ADS)

Suzuki, Takeyuki; Yamazaki, Tsutomu; Sekine, Ryuuta; Koukitsu, Akinori; Seki, Hisashi

1989-04-01

Experimental results are presented for the inclusion of compositional additives, M, to the sintered high-temperature superconductor Y(1-x)M(x)Ba2Cu3O(y); M can be the oxides of Mg, Ce, Gd, Yb, Ti, Zr, V, Nb, Ta, Cr, Mo, W, Mn, Fe, Co, Ni, Zn, B, Al, Ga, In, Si, Ge, Sn, Pb, Sb, Bi, and Te, as well as Li, Na, K, Ca, Sr, and La carbonates. Temperature dependence of the electrical resistance was measured down to about 80 K. Attention is given to the influence of ionic radius and the valence of the M species.

A new series of oxycarbonate superconductors (Cu(0.5)C(0.5))(m)Ba(m+1)Ca(n-1)Cu(n)O2(m+n)+1

NASA Technical Reports Server (NTRS)

Takayama-Muromachi, E.; Kawashima, T.; Matsui, Y.

1995-01-01

We found a new series of oxycarbonate superconductors in the Ba-CaCu-C-O system under high pressure of 5 GPa. Their ideal formula is (Cu(0.5)C(0.5)(m)Ba(m+1)Ca(n-1)Cu(n)O2)((m+n)+1) ((Cu,C)-m(m+1)(n-1)n). Thus far, n = 3, 4 members of the m = 1 series, (Cu,C)-1223 and (Cu,C)-1234, have been prepared in bulk while n = 4, 5 members, (Cu,C)-2334 and (Cu,C)-2345, have been prepared for the m = 2 series. (Cu,C)-1223 shows superconductivity below 67 K while T(sub c)'s of other compounds are above 110 K. In particular, (Cu,C)-1234 has the highest T(sub c) of 117 K.

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.

Effect of Ca2+ Ions on Electrical Properties of Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 Ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Ding, Jian-ning; Zhao, Tian-xiang; Qiu, Jian-hua; Zhu, Ke-qian; Xu, Jiu-jun; Zhang, Bing

2018-03-01

Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 (BCTSY) lead-free piezoceramics with x = 0.02 to 0.10 have been fabricated by solid-state sintering method at 1420°C. The effects of Ca2+ ions on the microstructure and electrical properties of the samples were studied. X-ray diffraction analysis showed that all samples possessed pure perovskite structure with Ca2+ ions diffused into the matrix lattice. The rhombohedral phase and tetragonal phase coexisted in the composition range of 0.02 < x < 0.06. The microstructure of BCTSY ceramic became more homogeneous with addition of Ca2+ ions, and the average grain size of the samples decreased from 97 μm (x = 0.02) to 18 μm (x = 0.10). Addition of Ca2+ remarkably improved the piezoelectric properties, enhanced the dielectric frequency dispersion, and increased the Curie temperature of the ceramics. The piezoelectric properties of the ceramics were optimized at x = 0.04 with d 33 and K p values of 579 pC/N and 52.7%, respectively.

Effect of Ca2+ Ions on Electrical Properties of Ba1- x Ca x Ti0.90Sn0.10O3-0.05Y2O3 Ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Ding, Jian-ning; Zhao, Tian-xiang; Qiu, Jian-hua; Zhu, Ke-qian; Xu, Jiu-jun; Zhang, Bing

2018-07-01

Ba1- x Ca x Ti0.90Sn0.10O3-0.05Y2O3 (BCTSY) lead-free piezoceramics with x = 0.02 to 0.10 have been fabricated by solid-state sintering method at 1420°C. The effects of Ca2+ ions on the microstructure and electrical properties of the samples were studied. X-ray diffraction analysis showed that all samples possessed pure perovskite structure with Ca2+ ions diffused into the matrix lattice. The rhombohedral phase and tetragonal phase coexisted in the composition range of 0.02 < x < 0.06. The microstructure of BCTSY ceramic became more homogeneous with addition of Ca2+ ions, and the average grain size of the samples decreased from 97 μm ( x = 0.02) to 18 μm ( x = 0.10). Addition of Ca2+ remarkably improved the piezoelectric properties, enhanced the dielectric frequency dispersion, and increased the Curie temperature of the ceramics. The piezoelectric properties of the ceramics were optimized at x = 0.04 with d 33 and K p values of 579 pC/N and 52.7%, respectively.

The effects of BaSO₄ loading on OPC cementing system for encapsulation of BaSO₄ scale from oil and gas industry.

PubMed

Hussein, O; Utton, C; Ojovan, M; Kinoshita, H

2013-10-15

The BaSO4 scales obtained from piping decontamination from oil and gas industries are most often classified as low level radioactive waste. These wastes could be immobilised by stable cement matrix to provide higher safety of handling, transportation, storage and disposal. However, the information available for the effects of the basic formulation such as waste loading on the fundamental properties is still limited. The present study investigated the effect of BaSO4 loading and water content on the properties of OPC-BaSO4 systems containing fine BaSO4 powder and coarse granules. The BaSO4 with different particle size had a marked effect on the compressive strength due to their different effects on hydration products formed. Introduction of fine BaSO4 powder resulted in an increased formation of CaCO3 in the system, which significantly contributed to the compressive strength of the products. Amount of water was important to control the CaCO3 formation, and water to cement ratio of 0.53 was found to be a good level to maintain a low porosity of the products both for fine BaSO4 powder and coarse BaSO4 granule. BaSO4 loading of up to 60 wt% has been achieved satisfying the minimum compressive strength of 5 MPa required for the radioactive wasteforms. Copyright © 2013 Elsevier B.V. All rights reserved.

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

NASA Astrophysics Data System (ADS)

Mubarak, A. A.

2016-07-01

The FP-LAPW method is utilized to investigate the elastic, optoelectronic and thermoelectric properties of XTiO3 (X = Ca, Sr and Ba) within the GGA. The calculated lattice constants and bulk modulus are found in agreement with previous studies. The present oxide-perovskite compounds are characterized as elastically stable and anisotropic. CaTiO3 and SrTiO3 are categorized as ductile compounds, whereas the BaTiO3 compound is in the critical region between ductile and brittle. The DOS and the band structure calculations reveal indirect (M-Γ) energy bandgap for the present compounds. The hydrostatic pressure increases the energy bandgap and the width of the valence band. The character of the band structure does not change due to this pressure. The optical parameters are calculated in different radiation regions. Beneficial optics applications are predicted as revealed from the optical spectra. The transport properties are applied as a function of the variable temperatures or carrier concentration. It is found that the compounds under study are classified as a p-type semiconductor. The majority charge carriers responsible for conduction in these calculated compounds are holes rather than electrons.

Low loss composition of BaxSryCa1-x-yTiO3: Ba0.12-0.25Sr0.35-0.47Ca0.32-0.53TiO3

DOEpatents

Xiang, Xiao-Dong; Chang, Hauyee; Takeuchi, Ichiro

2001-01-01

A dielectric thin-film material for microwave applications, including use as a capacitor, the thin-film comprising a composition of barium strontium calcium and titanium of perovskite type (Ba.sub.x Sr.sub.y Ca.sub.1-x-y)TiO.sub.3. Also provided is a method for making a dielectric thin film of that formula over a wide compositional range through a single deposition process.

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.

Dielectric properties of PVDF/0.5(Ba0.7Ca0.3)TiO3-0.5Ba(Zr0.2Ti0.8)O3 composites

NASA Astrophysics Data System (ADS)

Pandey, Bablu K.; Chandra, K. P.; Kolte, Jayant; Kulkarni, A. R.; Jayaswal, S. K.; Prasad, K.

2018-05-01

Ceramic powder of 0.50(Ba0.7Ca0.3)TiO3-0.50Ba(Zr0.2Ti0.8)O3(BCZT50) at morphotropic phase boundary composition was prepared usingsolid-statesynthesis technique followed by extensive high energy ball milling. The crystal symmetry, space group and unit cell dimensions were determined from the X-raydiffraction data of BCZT50 using FullProf software andthe average crystallite size was estimated using Williamson-Hall approach. FTIR spectra confirmed the formation of perovskite type solid solutions. The prepared ceramic powder was utilized to prepare lead-free (1- x)PVDF/xBCZT50 ceramic-polymer composites with x = 0.025, 0.05, 0.10, 0.15, 0.20, 0.25 were prepared using melt- mixing technique. The distribution of BCZT50 particles in the PVDF matrix were examined using anoptical microscope. Filler concentration dependent real and imaginary parts of dielectric constant data followed exponential growth types of variation. The low value of tanδ(˜10-2) can be advantageous forsensing/detectionapplications.

Radio frequency surface resistance of Tl-Ba-Ca-Cu-O films on metal and single-crystal substrates

NASA Astrophysics Data System (ADS)

Arendt, P. N.; Reeves, G. A.; Elliott, N. E.; Cooke, D. W.; Gray, E. R.; Houlton, R. J.; Brown, D. R.

1990-01-01

Films of Tl-Ba-Ca-Cu were dc magnetron sputtered from a single multielement target. The films were deposited onto substrates of: (1) magnesium oxide, (2) a silver based alloy (Consil 995), (3) a nickel based alloy (Haynes 230), and (4) buffer layers of barium fluoride or copper oxide on Consil. To form superconducting phases, post-deposition anneals were made on these films using an alumina crucible with an over pressure of thallium and flowing oxygen. After annealing, the film phases were determined using x-ray diffraction. The film surface resistances (Rs) were measured at 22 GHz in a TE011 cavity.

Comparative dielectric studies of nanostructured BaTiO{sub 3}, CaCu{sub 3}Ti{sub 4}O{sub 12} and 0.5BaTiO{sub 3}⋅ 0.5CaCu{sub 3}Ti{sub 4}O{sub 12} nano-composites synthesized by modified sol–gel and solid state methods

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

Singh, Laxman; Rai, Uma Shanker; Mandal, Kam Deo

2014-10-15

BaTiO{sub 3} (BTO), CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) and 0.5BaTiO{sub 3}·0.5CaCu{sub 3}Ti{sub 4}O{sub 12} (BTO–CCTO), as a new nano-composite ceramic, were successfully designed and fabricated by a semi-wet gel route and a modified solid state method. The dielectric properties of the BTO–CCTO ceramic were compared to those of the BTO and CCTO ceramics at lower sintering temperatures and durations. The X-ray diffraction analysis revealed that the BTO and CCTO ceramics form a single crystalline phase and the average crystalline sizes calculated from X-ray diffraction data were in the range of 40–65 nm. The particle sizes of the BTO, CCTO, andmore » BTO–CCTO ceramics obtained from transmission electron microscopy images were in the ranges of 40–65 nm, 80–110 nm, and 70–95 nm, respectively. The phase composition and microstructure were studied by X-ray diffraction and scanning electron microscopy. The energy dispersive X-ray results demonstrated the purity and stoichiometry of the BTO–CCTO nano-composite. The grain sizes of the BTO, CCTO and BTO–CCTO ceramics were found to be in the ranges of 500 nm–1 μm, 4–24 μm, and 250 nm–4 μm, respectively. The AC conductivity as a function of frequency confirmed the semiconducting nature of all of the ceramics and obeyed the Jonscher's power law. The impedance spectrum measurement result showed that the CCTO ceramic possessed an exceptional grain boundary resistance, which supports the internal barrier layer capacitance (IBLC) mechanism present in this ceramic and is responsible for the high ε{sub r} values. - Highlights: • Nanostructured BaTiO{sub 3}, CaCu{sub 3}Ti{sub 4}O{sub 12}, and 0.5BaTiO{sub 3}⋅ 0.5CaCu{sub 3}Ti{sub 4}O{sub 12} have been synthesized. • XRD and TEM analysis confirmed the formation of nanoparticles, 40–65 and 50–90 nm. • Impedance analysis shows high grain-boundary resistance present in CCTO ceramic. • AC conductivity as a function of frequency confirms the

Synthesis, spectroscopic characterization, thermal analysis and electrical conductivity studies of Mg(II), Ca(II), Sr(II) and Ba(II) vitamin B2 complexes

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Moussa, Mohamed A. A.; Mohamed, Soha F.

2011-05-01

Riboflavin (RF) complexes of Mg(II), Ca(II), Sr(II) and Ba(II) were successfully synthesized. Structures of metal complexes obtained were confirmed and characterized by elemental analysis, molar conductance, and infrared spectra. DC electrical conductivity measurements indicated that the alkaline earth metal (II) complexes of RF ligand are non-electrolytes. Elemental analysis of chelates suggest that the metal(II) ligand ratio is 1:2 with structure formula as [M(RF) 2( X) 2]· nH 2O. Infrared assignments clearly show that RF ligand coordinated as a bidentate feature through azomethine nitrogen of pyrazine ring and C dbnd O of pyrimidine-2,4-dione. Thermal analyses of Mg(II), Ca(II), Sr(II) and Ba(II) complexes were investigated using (TG/DSC) under atmospheric nitrogen between 30 and 800 °C. The surface morphology of the complexes was studied by SEM. The electrical conductivities of RF and its metal complexes were also measured with DC electrical conductivity in the temperature range from room to 483 K.

Method of forming a dielectric thin film having low loss composition of Ba.sub.x Sr.sub.y Ca.sub.1-x-y TiO.sub.3 : Ba.sub.0.12-0.25 Sr.sub.0.35-0.47 Ca.sub.0.32-0.53 TiO.sub.3

DOEpatents

Xiang, Xiao-Dong; Chang, Hauyee; Takeuchi, Ichiro

2000-01-01

A dielectric thin-film material for microwave applications, including use as a capacitor, the thin-film comprising a composition of barium strontium calcium and titanium of perovskite type (Ba.sub.x Sr.sub.y Ca.sub.1-x-y)TiO.sub.3. Also provided is a method for making a dielectric thin film of that formula over a wide compositional range through a single deposition process.

Artificially layered films of CuBa{sub 2} (Ca{sub 1{minus}x}Sr{sub x}){sub n{minus}1}Cu{sub n}O{sub y} grown using pulsed laser deposition

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

Aruta, C.; Balestrino, G.; Martellucci, S.

We have shown that the pulsed laser deposition technique (PLD) can be successfully used to grow artificially layered films of the CuBa{sub 2}(Ca{sub 1{minus}x}Sr{sub x}){sub n{minus}1}Cu{sub n}O{sub y} compound using only two targets having nominal composition BaCuO{sub y} and (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y}, respectively. n was varied between 2 and 5. We have demonstrated, by a kinematic analysis of the x-ray diffraction spectra that the average random discrete thickness fluctuations which affect both the BaCuO{sub y} and (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y} layers are much smaller than one atomic layer. Such features are confirmed by the appearance of sharp peaks evenmore » for the n=2 artificially layered structure where only one (Ca{sub 1{minus}x}Sr{sub x})CuO{sub y} cell is deposited in the stacking sequence. These results show that truly new structures can be obtained by a layer by layer deposition technique with a low interfacial disorder and give strong support to the idea of synthesizing new artificial high T{sub c} structures by the PLD technique.{copyright} {ital 1997 American Institute of Physics.}« less

Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan

NASA Astrophysics Data System (ADS)

Nishio-Hamane, Daisuke; Ohnishi, Masayuki; Minakawa, Tetsuo; Yamaura, Jun-Ichi; Saito, Shohei; Kadota, Ryo

The first Cr-dominant amphibole, ehimeite, ideally NaCa2Mg4CrSi6Al2O22(OH)2, has been found in a chromitite deposit in the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan. Ehimeite occurs as prismatic crystals of up to 1.5 cm in length and 0.5 cm in width and is found in association with chromite, kämmererite (Cr-rich clinochlore), Cr-poor clinochlore, phlogopite, and uvarovite. It is transparent, emerald green to pale green in color with pale green streaks, and has a vitreous luster. Optically, it is biaxial positive with α = 1.644(2), β = 1.647(2), γ = 1.659(2), and 2Vcalc. = 53°. It has a Mohs’ hardness of 6 and densities of 3.08(3) g/cm3 (measured using heavy liquids) and 3.121 g/cm3 (calculated from powder diffraction data and the empirical formula). The empirical formula is (Na0.88K0.07)Σ0.95(Ca1.89Na0.02Mg0.09)Σ2.00(Mg4.03Cr0.62Al0.19Fe3+0.07Fe2+0.07Ti0.03)Σ5.00(Si6.14Al1.86)Σ8.00O22(OH)2 on the basis of O = 22 and OH = 2, and ehimeite mainly forms a solid solution, NaCa2Mg4(Cr, Al)Si6Al2O22(OH)2, with pargasite. It has a monoclinic unit cell with a = 9.9176(14) Å, b = 18.0009(12) Å, c = 5.2850(7) Å, β = 105.400(7)°, V = 909.6 (17) Å3, and Z = 2, and it belongs to the space group C2/m, as refined from powder XRD data. The eight strongest lines in the powder XRD pattern [d (Å), I/I0, hkl] are (3.370, 58, 150), (2.932, 43, 221), (2.697, 81, 151), (2.585, 50, 061), (2.546, 100, 202), (2.346, 42, 351), (2.156, 35, 261), and (1.514, 55, 263). The crystal structure has been refined to R1 = 0.0488 using single-crystal XRD data. It has been concluded that ehimeite in the Akaishi Mine was formed by the reaction of chromitite and the metamorphic fluid in the retrograde stage of serpentinization during the Sanbagawa metamorphism.

High temperature superconductor step-edge Josephson junctions using Ti-Ca-Ba-Cu-O

DOEpatents

Ginley, David S.; Hietala, Vincent M.; Hohenwarter, Gert K. G.; Martens, Jon S.; Plut, Thomas A.; Tigges, Chris P.; Vawter, Gregory A.; Zipperian, Thomas E.

1994-10-25

A process for formulating non-hysteretic and hysteretic Josephson junctions using HTS materials which results in junctions having the ability to operate at high temperatures while maintaining high uniformity and quality. The non-hysteretic Josephson junction is formed by step-etching a LaAlO.sub.3 crystal substrate and then depositing a thin film of TlCaBaCuO on the substrate, covering the step, and forming a grain boundary at the step and a subsequent Josephson junction. Once the non-hysteretic junction is formed the next step to form the hysteretic Josephson junction is to add capacitance to the system. In the current embodiment, this is accomplished by adding a thin dielectric layer, LaA1O.sub.3, followed by a cap layer of a normal metal where the cap layer is formed by first depositing a thin layer of titanium (Ti) followed by a layer of gold (Au). The dielectric layer and the normal metal cap are patterned to the desired geometry.

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).

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.

The partial substitution of copper with nickel oxide on the Structural and electrical properties of HgBa2 Ca2 Cu3xNix O8+δ superconducting compound

NASA Astrophysics Data System (ADS)

Jasim, K. A.; Mohammed, L. A.

2018-05-01

The present study the partial substitution of copper with nickel on of HgBa2Ca2Cu3xNix O8+δ superconducting compound where x=002040608. Samples were prepared by solid state reaction method with sintering temperature 850C0 for 24h. By using x-ray powder diffraction the structure of the samples were studied. The XRD analyses showed the structures of polycrystalline with tetragonal diagram with majority 1223 phase and the change of the nickel concentrations produce a change in lattice parameters of the lattice a b and c axis c/a density of mass ρm and volume fraction Vphase. Four probe apparatus was used to test the electrical resistivity to defined the critical temperature at zero resistivity Tc offset Optimum Tc offset was found from HgBa2Ca2Cu24Ni06O8+δ sample with transition temperature its equal to 137K.

Bandgap behavior and singularity of the domain-induced light scattering through the pressure-induced ferroelectric transition in relaxor ferroelectric AxBa1-xNb2O6 (A: Sr,Ca)

NASA Astrophysics Data System (ADS)

Ruiz-Fuertes, J.; Gomis, O.; Segura, A.; Bettinelli, M.; Burianek, M.; Mühlberg, M.

2018-01-01

In this letter, we have investigated the electronic structure of AxBa1-xNb2O6 relaxor ferroelectrics on the basis of optical absorption spectroscopy in unpoled single crystals with A = Sr and Ca under high pressure. The direct character of the fundamental transition could be established by fitting Urbach's rule to the photon energy dependence of the absorption edge yielding bandgaps of 3.44(1) eV and 3.57(1) eV for A = Sr and Ca, respectively. The light scattering by ferroelectric domains in the pre-edge spectral range has been studied as a function of composition and pressure. After confirming with x-ray diffraction the occurrence of the previously observed ferroelectric to paraelelectric phase transition at 4 GPa, the light scattering produced by micro- and nano-ferroelectric domains at 3.3 eV in Ca0.28Ba0.72Nb2O6 has been probed. The direct bandgap remains virtually constant under compression with a drop of only 0.01 eV around the phase transition. Interestingly, we have also found that light scattering by the polar nanoregions in the paraelectric phase is comparable to the dispersion due to ferroelectric microdomains in the ferroelectric state. Finally, we have obtained that the bulk modulus of the ferroelectric phase of Ca0.28Ba0.72Nb2O6 is B0 = 222(9) GPa.

Domain structures and local switching in lead-free piezoceramics Ba0.85Ca0.15Ti0.90Zr0.10O3

NASA Astrophysics Data System (ADS)

Turygin, A. P.; Neradovskiy, M. M.; Naumova, N. A.; Zayats, D. V.; Coondoo, I.; Kholkin, A. L.; Shur, V. Ya.

2015-08-01

Lead-free piezoelectrics are becoming increasingly important in view of environmental problems of currently used lead-based perovskites such as lead zirconate titanate (PZT). One of the recent candidates for PZT replacement, solid solutions of BaZr0.2Ti0.8O3 and Ba0.7Ca0.3TiO3, are investigated in this work by piezoresponse force microscopy. Coexistence of the tetragonal and rhombohedral phases in this material is observed, which probably gives rise to easy polarization switching due to multiple domain states. The period of observed domain lamella scales with the grain size obeying well-known square root dependence characteristic of BaTiO3 ceramics. Domain switching and relaxation are investigated at the nanoscale as a function of the applied voltage and duration of the applied voltage pulses. The observed distortion of piezoresponse hysteresis loops near grain boundaries is attested to the increased concentration of defects. Nanoscale piezoelectric properties of these materials are discussed.

Photoemission study of absorption mechanisms in Bi2.0Sr1.8Ca0.8La0.3Cu2.1O8+δ, BaBiO3, and Nd1.85Ce0.15CuO4

NASA Astrophysics Data System (ADS)

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

1989-11-01

Photoemission measurements in the constant-final-state (absorption) mode were performed on three different classes of high-temperature superconductors Bi2.0Sr1.8Ca0.8La0.3Cu2.1O8+δ, BaBiO3, and Nd1.85Ce0.15CuO4 using synchrotron radiation from 20 to 200 eV. Absorption signals from all elements but Ce are identified. The results firmly show that the Bi 6s electrons are more delocalized in BaBiO3 than in Bi2.0Sr1.8Ca0.8La0.3Cu2.1O8+δ, in agreement with the results of band-structure calculations. Differences in the absorption signals due to O and Bi excitations between BaBiO3 and Bi2.0Sr1.8Ca0.8La0.3Cu2.1O8+δ are discussed. Delayed absorption onsets attributed to giant resonances (Ba 4d-->4f, La 4d-->4f, and Nd 4d-->4f transitions) are also reported.

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

TlCaBaCuO high Tc superconducting microstrip ring resonators designed for 12 GHz

NASA Technical Reports Server (NTRS)

Subramanyam, G.; Kapoor, V. J.; Chorey, C. M.; Bhasin, K. B.

1993-01-01

Microwave properties of sputtered Tl-Ca-Ba-Cu-O thin films were investigated by designing, fabricating, and testing microstrip ring resonators. Ring resonators designed for 12 GHz fundamental resonance frequency, were fabricated and tested. From the unloaded Q values for the resonators, the surface resistance was calculated by separating the conductor losses from the total losses. The penetration depth was obtained from the temperature dependence of resonance frequency, assuming that the shift in resonance frequency is mainly due to the temperature dependence of penetration depth. The effective surface resistance at 12 GHz and 77 K was determined to be between 1.5 and 2.75 mOmega, almost an order lower than Cu at the same temperature and frequency. The effective penetration depth at 0 K is approximately 7000 A.

Effects of Oral Administration of CrCl3 on the Contents of Ca, Mg, Mn, Fe, Cu, and Zn in the Liver, Kidney, and Heart of Chicken.

PubMed

Liu, Yanhan; Zhao, Xiaona; Zhang, Xiao; Zhao, Xuejun; Liu, Yongxia; Liu, Jianzhu

2016-06-01

This study aimed to investigate the effects of oral administration of trivalent chromium on the contents of Ca, Mg, Mn, Fe, Cu, and Zn in the heart, liver, and kidney. Different levels of 1/8, 1/4, and 1/2 LD50 (LD50 = 5000 mg/kg body mass) CrCl3 milligrams per kilogram body mass daily were added into the water to establish the chronic poisoning model. Ca, Mg, Mn, Fe, Cu, and Zn were detected with the flame atomic absorption spectrometry in the organs exposed 14, 28, and 42 days to CrCl3, respectively. Results showed that Cr was accumulated in the heart, liver, and kidney significantly (P < 0.05) with extended time and dose. The contents of Ca and Fe increased, whereas those of Mg, Mn, Cu, and Zn decreased in the heart, liver, and kidney of each treated group, which had a dose- and time-dependent relationship, but the contents of Mg and Zn in the heart took on a fluctuated change. These particular observations were different from those in the control group. In conclusion, the oral administration of CrCl3 could change the contents of Ca, Mg, Mn, Fe, Cu, and Zn in the heart, liver, and kidney, which may cause disorders in the absorption and metabolism of the metal elements of chickens.

Les Néandertaliens étaient-ils essentiellement carnivores ? Résultats préliminaires sur les teneurs en Sr et en Ba de la paléobiocénose mammalienne de Saint-CésaireWere Neandertalians essentially carnivores? Sr and Ba preliminary results of the mammalian palaeobiocoenosis of Saint-Césaire

NASA Astrophysics Data System (ADS)

Balter, Vincent; Person, Alain; Labourdette, Nathalie; Drucker, Dorothée; Renard, Maurice; Vandermeersch, Bernard

2001-01-01

Strontium-calcium (Sr/Ca) and barium-calcium (Ba/Ca) ratios are reduced constantly between diet and bioapatite in mammal organisms. This phenomenon leads to a reduction in the Sr/Ca and Ba/Ca ratios at higher trophic level in predator-prey mammalian communities, and is applied here to the reconstruction of a castelperronian food web, which includes a Neanderthal specimen. Adapted chemical pretreatment allows to isolate bioapatite from diagenetic compounds for analysis of Ca, Sr and Ba. Sr/Ca and Ba/Ca results of the fauna are consistent with trophic predictions. Initial results for the Neandertal suggest that he was mostly carnivorous. Distribution of Ba/Ca values of bones of herbivorous taxa reveals that ruminant animals can be distinguished from non-ruminants. The biosegregation model predicts that the diet of the Neandertal was composed by about 97 % in weight of meat with a weak contribution of vegetable or fish, and that the association of fish and plant is excluded in any proportion.

On the novel double perovskites A2Fe(Mn0.5W0.5)O6 (A= Ca, Sr, Ba). Structural evolution and magnetism from neutron diffraction data

NASA Astrophysics Data System (ADS)

García-Ramos, Crisanto A.; Larrégola, Sebastián; Retuerto, María; Fernández-Díaz, María Teresa; Krezhov, Kiril; Alonso, José Antonio

2018-06-01

New A2Fe(Mn0.5W0.5)O6 (A = Ca, Sr, Ba) double perovskite oxides have been prepared by ceramic techniques. X-ray diffraction (XRD) complemented with neutron powder diffraction (NPD) indicate a structural evolution from monoclinic (space group P21/n) for A = Ca to cubic (Fm-3m) for A = Sr and finally to hexagonal (P63/mmc) for A = Ba as the perovskite tolerance factor increases with the A2+ ionic size. The three oxides present different tilting schemes of the FeO6 and (Mn,W)O6 octahedra. NPD data also show evidence in all cases of a considerable anti-site disordering, involving the partial occupancy of Fe positions by Mn atoms, and vice-versa. Magnetic susceptibility data show magnetic transitions below 50 K characterized by a strong irreversibility between ZFC and FC susceptibility curves. The A = Ca perovskite shows a G-type magnetic structure, with weak ordered magnetic moments due to the mentioned antisite disordering. Interesting magnetostrictive effects are observed for the Sr perovskite below 10 K.

Thermoelectric power factor of La0.9M0.1FeO3 (M = Ca and Ba) system: Structural, band gap and electrical transport evaluations

NASA Astrophysics Data System (ADS)

Karthikeyan, N.; Kumar, R. Ramesh; Jaiganesh, G.; Sivakumar, K.

2018-01-01

The search for thermoelectric materials has been incredibly increased due to the increase in global energy demand. Hence the present work focus on preparation and characterization of thermal transport phenomena of pure and Ba/Ca substituted perovskite LaFeO3 orthoferrite system. The conventional solid state reaction technique is utilized for the preparation of LaFeO3 and La0.9M0.1FeO3 (M = Ca and Ba) compounds. Crystal structure analyses of the prepared samples are analyses using Rietveld refinement process which confirms the orthoferrite crystal structure of all the prepared compounds with induced distortion in position of atoms by the incorporation of substituent atoms. The electronic structure calculations are performed by VASP. As the LaFeO3 compound is a strongly energy correlated system, the Density Functional Theory (DFT) calculations are performed by DFT + U (Hubbard function) method. The computed band gap values are compared with the energy gap values calculated from UV-Vis spectral analysis. Electrical conductivity measurement and Arrhenius behavior for the temperature range of room temperature to 650 K are analyzed and the drift increase in conductivity with respect to temperature is due to the thermally activated mobility of charge carriers. Temperature dependent thermopower analysis is also examined using homemade seebeck coefficient measurement system. The calculation of thermoelectric power factor reveals that the Ba substituted LaFeO3 compound show highest power factor value of 3.73 μW/K2 cm at higher temperature and the superior power factor values observed in the Ba substituted compound determine the material's capability in power generating devices based on thermoelectric effect.

Superconductivity in (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ samples

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Qasim, Irfan; Khurram, A. A.

2010-07-01

The (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ ( y = 0, 0.25 0.5, 0.75, 1.0, 1.25) superconductor samples have been prepared by solid-state reaction method. The critical temperature and as well as the magnitude of diamagnetism is increased up to Si concentration y = 1.0, however, from the doping level y = 1.25 a decrease in the critical temperature along with the vanishing of the diamagnetism was observed. The carrier's in the conducting CuO 2/SiO 2 planes were optimized by carrying out post-annealing in oxygen and an increase in the critical temperature was observed in all Si doped samples. The doping efficiency of Cu 0.5Tl 0.5Ba 2O 4- δ charge reservoir layer in (Cu 0.5Tl 0.25Li 0.25)Ba 2Ca 2Cu 3- ySi yO 10- δ ( y = 0, 0.25 0.5, 0.75, 1.0, 1.25) samples is enhanced by doping Li +1 ion; as alkali metals are known to easily loose their outer most electron which could be supplied to CuO 2/SiO 2 conducting planes and would suppress the anti-ferromagnetism in the inner conducting planes. The FTIR absorption measurements have provided an indirect evidence of Si substitution at in CuO 2 planes.

Superconductivity at different T{sub c} in CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y}

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

Balchev, N.; Lovchinov, V.; Gattef, E.

1995-06-01

A Cd analogue of the Tl and Hg n=3 series with nominal composition CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y} has been synthesized. The samples were superconducting according to magnetic susceptibility measurements. The critical temperature was 103 or 107 K depending on the preparation conditions. The EDX analysis revealed the presence of Cd-1111, Cd-1121, and Cd-2333 as minor phases. The observed diamagnetic effects were attributed to the different T{sub c} of these phases.

Local texture and strongly linked conduction in spray-pyrolyzed TlBa2Ca2Cu3O(8+x) deposits

NASA Astrophysics Data System (ADS)

Kroeger, D. M.; Goyal, A.; Specht, E. D.; Wang, Z. L.; Tkaczyk, J. E.; Sutliff, J. A.; Deluca, J. A.

Local texture in polycrystalline TlBa2Ca2 Cu3O(8+x) deposits has been determined from transmission electron microscopy, electron backscatter diffraction patterns and x-ray diffraction. The small-grained deposits had excellent c-axis alignment and contained colonies of grains with similar but not identical a-axis orientations. Most grain boundaries within a colony have small misorientation angles and should not be weak links. It is proposed that long range conduction utilizes a percolative network of small angle grain boundaries at colony intersections.

BaTiO3-based piezoelectrics: Fundamentals, current status, and perspectives

NASA Astrophysics Data System (ADS)

Acosta, M.; Novak, N.; Rojas, V.; Patel, S.; Vaish, R.; Koruza, J.; Rossetti, G. A.; Rödel, J.

2017-12-01

We present a critical review that encompasses the fundamentals and state-of-the-art knowledge of barium titanate-based piezoelectrics. First, the essential crystallography, thermodynamic relations, and concepts necessary to understand piezoelectricity and ferroelectricity in barium titanate are discussed. Strategies to optimize piezoelectric properties through microstructure control and chemical modification are also introduced. Thereafter, we systematically review the synthesis, microstructure, and phase diagrams of barium titanate-based piezoelectrics and provide a detailed compilation of their functional and mechanical properties. The most salient materials treated include the (Ba,Ca)(Zr,Ti)O3, (Ba,Ca)(Sn,Ti)O3, and (Ba,Ca)(Hf,Ti)O3 solid solution systems. The technological relevance of barium titanate-based piezoelectrics is also discussed and some potential market indicators are outlined. Finally, perspectives on productive lines of future research and promising areas for the applications of these materials are presented.

High quantum yield of the Egyptian blue family of infrared phosphors (MCuSi4O10, M = Ca, Sr, Ba)

NASA Astrophysics Data System (ADS)

Berdahl, Paul; Boocock, Simon K.; Chan, George C.-Y.; Chen, Sharon S.; Levinson, Ronnen M.; Zalich, Michael A.

2018-05-01

The alkaline earth copper tetra-silicates, blue pigments, are interesting infrared phosphors. The Ca, Sr, and Ba variants fluoresce in the near-infrared (NIR) at 909, 914, and 948 nm, respectively, with spectral widths on the order of 120 nm. The highest quantum yield ϕ reported thus far is ca. 10%. We use temperature measurements in sunlight to determine this parameter. The yield depends on the pigment loading (mass per unit area) ω with values approaching 100% as ω → 0 for the Ca and Sr variants. Although maximum quantum yield occurs near ω = 0, maximum fluorescence occurs near ω = 70 g m-2, at which ϕ = 0.7. The better samples show fluorescence decay times in the range of 130 to 160 μs. The absorbing impurity CuO is often present. Good phosphor performance requires long fluorescence decay times and very low levels of parasitic absorption. The strong fluorescence enhances prospects for energy applications such as cooling of sunlit surfaces (to reduce air conditioning requirements) and luminescent solar concentrators.

High temperature superconductor step-edge Josephson junctions using Ti-Ca-Ba-Cu-O

DOEpatents

Ginley, D.S.; Hietala, V.M.; Hohenwarter, G.K.G.; Martens, J.S.; Plut, T.A.; Tigges, C.P.; Vawter, G.A.; Zipperian, T.E.

1994-10-25

A process is disclosed for formulating non-hysteretic and hysteretic Josephson junctions using HTS materials which results in junctions having the ability to operate at high temperatures while maintaining high uniformity and quality. The non-hysteretic Josephson junction is formed by step-etching a LaAlO[sub 3] crystal substrate and then depositing a thin film of TlCaBaCuO on the substrate, covering the step, and forming a grain boundary at the step and a subsequent Josephson junction. Once the non-hysteretic junction is formed the next step to form the hysteretic Josephson junction is to add capacitance to the system. In the current embodiment, this is accomplished by adding a thin dielectric layer, LaA1O[sub 3], followed by a cap layer of a normal metal where the cap layer is formed by first depositing a thin layer of titanium (Ti) followed by a layer of gold (Au). The dielectric layer and the normal metal cap are patterned to the desired geometry. 8 figs.

Effect of high-energy electron irradiation in an electron microscope column on fluorides of alkaline earth elements (CaF2, SrF2, and BaF2)

NASA Astrophysics Data System (ADS)

Nikolaichik, V. I.; Sobolev, B. P.; Zaporozhets, M. A.; Avilov, A. S.

2012-03-01

The effect of high-energy (150 eV) electron irradiation in an electron microscope column on crystals of fluorides of alkaline earth elements CaF2, SrF2, and BaF2 is studied. During structural investigations by electron diffraction and electron microscopy, the electron irradiation causes chemical changes in MF2 crystals such as the desorption of fluorine and the accumulation of oxygen in the irradiated area with the formation of oxide MO. The fluorine desorption rate increases significantly when the electron-beam density exceeds the threshold value of ˜2 × 103 pA/cm2). In BaF2 samples, the transformation of BaO into Ba(OH)2 was observed when irradiation stopped. The renewal of irradiation is accompanied by the inverse transformation of Ba(OH)2 into BaO. In the initial stage of irradiation of all MF2 compounds, the oxide phase is in the single-crystal state with a lattice highly matched with the MF2 matrix. When the irradiation dose is increased, the oxide phase passes to the polycrystalline phase. Gaseous products of MF2 destruction (in the form of bubbles several nanometers in diameter) form a rectangular array with a period of ˜20 nm in the sample.

Relativistic semiempirical-core-potential calculations in Ca+,Sr+ , and Ba+ ions on Lagrange meshes

NASA Astrophysics Data System (ADS)

Filippin, Livio; Schiffmann, Sacha; Dohet-Eraly, Jérémy; Baye, Daniel; Godefroid, Michel

2018-01-01

Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock calculation using the grasp2k package. The valence electron is described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valence electron correlation. The associated equation is solved with the Lagrange-mesh method, which is an approximate variational approach having the form of a mesh calculation because of the use of a Gauss quadrature to calculate matrix elements. Properties involving the low-lying metastable D 3 /2 ,5 /2 2 states of Ca+, Sr+, and Ba+ are studied, such as polarizabilities, one- and two-photon decay rates, and lifetimes. Good agreement is found with other theory and observation, which is promising for further applications in alkalilike systems.

Gigantic magnetic-field-induced polarization and magnetoelectric coupling in a ferrimagnetic oxide CaBaCo 4 O 7

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

Caignaert, V.; Maignan, A.; Singh, K.

2013-11-01

Below Tc, the single-crystal study of CaBaCo40,, a noncollinear ferrimagnet (Tc = 64 K) with a polar orthorhombic space group (Pbn21) between 4 and 293 K, shows a large change inthe electric polarization along its c axis reaching !!iP = 17 mC/m2 at 10 K. At 62.5 K, a magnetic-field-driven giant variation inpolarization P(9 T) - P(O T) = 8 mC/m2 is observed. Moreover, the present magnetoelectric measurements are fully consistent withthe m'm2' magnetic point group. This ferrimagnetic oxide, which belongs to the "114" structural family, opens an avenue for the search for new magnetoelectrics.

Excitation-dependent local symmetry reversal in single host lattice Ba2A(BO3)2:Eu3+ [A = Mg and Ca] phosphors with tunable emission colours.

PubMed

Jayakiruba, S; Chandrasekaran, S Selva; Murugan, P; Lakshminarasimhan, N

2017-07-05

Eu 3+ activated phosphors are widely used as red emitters in various display devices and light emitting diodes (LEDs). The emission characteristics of Eu 3+ depend on the local site symmetry. The present study demonstrates the role of excitation-dependent local symmetry changes due to the structural reorganization on the emission colour tuning of Eu 3+ from orange-red to orange in single host lattices, Ba 2 Mg(BO 3 ) 2 and Ba 2 Ca(BO 3 ) 2 . The choice of these lattices was based on the difference in the extent of strain experienced by the oxygen atoms. The samples with Eu 3+ at Ba or Mg (Ca) sites were synthesized using the conventional high-temperature solid-state reaction method. The samples were characterized using powder XRD, 11 B MAS-NMR, FT-IR, and diffuse reflectance UV-Vis spectroscopic techniques. The room temperature photoluminescence (PL) recorded using different excitation wavelengths revealed a clear difference in the PL emission features due to symmetry reversal from non-inversion to inversion symmetry around Eu 3+ . The reorganization of highly strained oxygen atoms leads to such symmetry reversal. First-principles calculations were used to deduce the optimized structures of the two borate host lattices, and local geometries and their distortions upon Eu 3+ substitution. The outcomes of these calculations support the experimental findings.

Enhanced heavy metal immobilization in soil by grinding with addition of nanometallic Ca/CaO dispersion mixture.

PubMed

Mallampati, Srinivasa Reddy; Mitoma, Yoshiharu; Okuda, Tetsuji; Sakita, Shogo; Kakeda, Mitsunori

2012-10-01

This study investigated the use of a nanometallic Ca and CaO dispersion mixture for the immobilization of heavy metals (As, Cd, Cr and Pb) in contaminated soil. Simple grinding achieved 85-90% heavy metal immobilization, but it can be enhanced further to 98-100% by addition of a nanometallic Ca/CaO dispersion mixture produced by grinding. Observations using SEM-EDS elemental maps and semi-quantitative analysis showed that the amounts of As, Cd, Cr, and Pb measurable on the soil particle surface decrease after nanometallic Ca/CaO treatment. The leachable heavy metal concentrations were reduced after nanometallic Ca/CaO treatment to concentrations lower than the Japan soil elution standard regulatory threshold: <0.01 mg L(-1) for As, Cd, and Pb; and 0.05 mg L(-1) for Cr. Effects of soil moisture and pH on heavy metal immobilization were not strongly influenced. The most probable mechanisms for the enhancement of heavy metal immobilization capacity with nanometallic Ca/CaO treatment might be due to adsorption and entrapment of heavy metals into newly formed aggregates, thereby prompting aggregation of soil particles and enclosure/binding with Ca/CaO-associated immobile salts. Results suggest that the nanometallic Ca/CaO mixture is suitable for use in immobilization of heavy-metal-contaminated soil under normal moisture conditions. Copyright © 2012 Elsevier Ltd. All rights reserved.

Optical and vibrational spectroscopy of Ba0.85Ca0.15Zr0.1Ti0.9O3 modified lithium borate glass ceramics

NASA Astrophysics Data System (ADS)

Viswanath, Pamarti; Prashanth, Sadhu Sai Pavan; Molli, Muralikrishna; Wicram, Jaschin Prem; Sai Muthukumar, V.

2018-04-01

Glass ceramics are excellent replacement for single crystalline materials which are expensive and difficult to fabricate. In this context, we have attempted to fabricate glass nanocomposites comprising of Lithium Borate glass matrix embedded with lead free ferroelectric Ba0.85Ca0.15Zr0.1Ti0.9O3 (BCZT). Both of these functional materials are known to exhibit excellent ferroelectric behavior and are currently explored for various device applications. We have prepared these novel glass nanocomposite using melt-quenching techniquein various chemical composition involving different molar ratio. x(Ba0.85Ca0.15Zr0.1Ti0.9O3)-(1-x)(Li2O.2B2O3) where (x=0.1,0.2,0.3,0.4). The as-quenched samples exhibited amorphous nature as revealed by X-ray Diffraction studies. With the increase in BCZT content we have observed significant alteration in optical bandgap and Urbach energy. The tailoring of optical properties by tuning the structure was probed by Raman vibrational spectroscopy which confirmed the dominant role played by BCZT as a network modifier in these borate glasses. Concomitantly, these glass nanocomposites were found to be excellent UV absorbers.

Tailoring Ba3Ca1.18Nb1.82O9-δ with NiO as electrolyte for proton-conducting solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Zhu, Zhiwen; Guo, Enyan; Wei, Zhaoling; Wang, Huiqiang

2018-01-01

A strategy of tailoring Ba3Ca1.18Nb1.82O9-δ (BCN) is proposed, aiming to improve the sinterability and conductivity of BCN material for fuel cell applications. The new Ba3Ca1.18Nb1.77Ni0.05O9-δ (BCNNi) material shows a significant improvement in sinterability compared with BCN, leading to a high densification for BCNNi after sintering at as low as 1400 °C. In addition, the BCNNi exhibits a conductivity of 4.59 × 10-3 S cm-1 at 700 °C that is not only higher than that for BCN which only reaches 3.45 × 10-3 S cm-1 at the same temperature but also shows a significant improvement compared with that for BCN-based materials in literature reports. As a result, the cell with the BCNNi electrolyte shows a peak power density of 84 mW cm-2 at 700 °C which is also one of the largest ever reported for this type of cells. Further electrochemical studies indicate that the high conductivity of BCNNi electrolyte membrane benefits the fuel cell performance.

Facile controlled synthesis of micro/nanostructure MCrO 4 (M = Ba, Pb) by using Gemini surfactant C 12-PEG-C 12 as a soft template

NASA Astrophysics Data System (ADS)

Chang, Wengui; Shen, Yuhua; Xie, Anjian; Liu, Xue

2010-04-01

Gemini surfactants, double sodium α-sulfonic polyethylene glycol laurate (abbreviated C 12-PEG-C 12), were prepared and applied as soft templates in the controlled synthesis of BaCrO 4 and PbCrO 4 micro/nanocrystals. The template effects were investigated by adjusting the length of the spacer, using PEG400 and PEG4000, of the Gemini surfactant. The results indicated that the size and morphology of BaCrO 4 and PbCrO 4 micro/nanocrystals varied with the change in spacer length of C 12-PEG-C 12, suggesting that the different lengths of the polyethylene glycol group spacers in the Gemini surfactants played a key role in determining the size and shape of the MCrO 4 micro/nanoparticles. The dynamic process of the formation of the novel morphology BaCrO 4 crystals showed that the morphology grew from a round-bar polyhedron, to regular polyhedron, to approximate octahedron to a uniform pistachio nut shape. The growth mechanism of the BaCrO 4 micro/nanocrystals was explained that C 12-PEG-C 12 had a greater interfacial adsorption and would effectively control the shape evolution during the crystal growth, while PbCrO 4 could be explained that the Gemini surfactants can undergo liquid-crystalline phase transitions with long channels providing a soft template effect and derived the nanorods formation. Room temperature fluorescence spectra were studied and these showed that the pistachio-shaped BaCrO 4 microcrystals and PbCrO 4 nanorods possess photoactive luminescence properties with emission peaks at 470 and 549 nm, respectively.

Annealing induced effect on the physical properties of ion-beam sputtered 0.5 Ba(Zr0.2Ti0.8)O3 - 0.5 (Ba0.7Ca0.3)TiO3-δ ferroelectric thin films

NASA Astrophysics Data System (ADS)

Oliveira, M. J. S.; Silva, J. P. B.; Veltruská, Kateřina; Matolín, V.; Sekhar, K. C.; Moreira, J. Agostinho; Pereira, M.; Gomes, M. J. M.

2018-06-01

This work reports thermal annealing induced effect on the structural, optical, chemical and ferroelectric properties of ion-beam sputtered lead-free ferroelectric 0.5 Ba(Zr0.2Ti0.8)O3 - 0.5 (Ba0.7Ca0.3)TiO3-δ (0.5BZT-0.5BCT) thin films. X-ray diffraction studies reveal that the tetragonality increases with the annealing temperature (Ta), while photoluminescence and X-ray photoelectron spectroscopy studies confirm that this effect is associated with the annihilation of the oxygen vacancies as well as changes in the Ba2+ coordination. The films annealed at 750 °C show a remarkable remnant polarization of Pr = 45.0 μC/cm2, with a coercive field of 32 kV/cm. The temperature dependence of the spontaneous polarization of the 0.5BZT-0.5BCT film reveals a mean field behavior of the polarization and the fatigue study reveals that Pr only decreases 3% after passing 109 cycles. Therefore the high remnant polarization and its high Pr stability make these films as promising candidates for memory applications.

Microstructure, Thermal, Mechanical, and Dielectric Properties of BaO-CaO-Al2O3-B2O3-SiO2 Glass-Ceramics

NASA Astrophysics Data System (ADS)

Li, Bo; Bian, Haibo; Fang, Yi

2017-12-01

BaO-CaO-Al2O3-B2O3-SiO2 (BCABS) glass-ceramics were prepared via the method of controlled crystallization. The effect of CaO modification on the microstructure, phase evolution, as well as thermal, mechanical, and dielectric properties was investigated. XRD identified that quartz is the major crystal phase; cristobalite and bazirite are the minor crystal phases. Moreover, the increase of CaO could inhibit the phase transformation from quartz to cristobalite, but excessive CaO would increase the porosity of the ceramics. Additionally, with increasing the amount of CaO, the thermal expansion curve tends to be linear, and subsequently the CTE value decreases gradually, which is attributed to the decrease of cristobalite with high CTE and the formation of CaSiO3 with low CTE. The results indicated that a moderate amount of CaO helps attaining excellent mechanical, thermal, and dielectric properties, that is, the specimen with 9 wt% CaO sintered at 950 °C has a high CTE value (11.5 × 10-6/°C), a high flexural strength (165.7 MPa), and good dielectric properties (ɛr = 6.2, tanδ = 1.8 × 10-4, ρ = 4.6 × 1011 Ω•cm).

Cubic structure and canted antiferromagnetism of CaMn7O12 doped with trivalent cations (Fe, Al, Cr)

NASA Astrophysics Data System (ADS)

Motin Seikh, Md.; Caignaert, V.; Lebedev, O. I.; Raveau, B.

2014-02-01

In this study, we show the dramatic effect of the doping of the octahedral sites with M3+ cations (Fe3+, Al3+ and Cr3+) upon the structure and magnetism of the rhombohedral double perovskite CaMn7O12. In the oxides CaMn7-xMxO12, charge ordering between Mn3+ and Mn4+ octahedral sites is destroyed leading to the cubic structure (Im-3), whereas the initial magnetic properties (TN~90 K) have disappeared leading to canted antiferromagnetism (TN≈50-70 K) for small x values (x ~0.2-1). A spin glass like behaviour is also observed for larger values (x~1) in the case of Fe substitution.

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''.

Next neighbors effect along the Ca-Sr-Ba-åkermanite join: Long-range vs. short-range structural features

NASA Astrophysics Data System (ADS)

Dondi, Michele; Ardit, Matteo; Cruciani, Giuseppe

2013-06-01

An original approach has been developed herein to explore the correlations between short- and long-range structural properties of solid solutions. X-ray diffraction (XRD) and electronic absorption spectroscopy (EAS) data were combined on a (Ca,Sr,Ba)2(Mg0.7Co0.3)Si2O7 join to determine average and local distances, respectively. Instead of varying the EAS-active ion concentration along the join, as has commonly been performed in previous studies, the constant replacement of Mg2+ by a minimal fraction of a similar size cation (Co2+) has been used to assess the effects of varying second-nearest neighbor cations (Ca, Sr, Ba) on the local distances of the first shell. A comparison between doped and un-doped series has shown that, although the overall symmetry of the Co-centered T1-site was retained, greater relaxation occurs at the CoO4 tetrahedra which become increasingly large and more distorted than the MgO4 tetrahedra. This is indicated by an increase in both the quadratic elongation (λT1) and the bond angle variance (σ2T1) distortion indices, as the whole structure expands due to an increase in size in the second-nearest neighbors. This behavior highlights the effect of the different electronic configurations of Co2+ (3d7) and Mg2+ (2p6) in spite of their very similar ionic size. Furthermore, although the overall symmetry of the Co-centered T1-site is retained, relatively limited (<10 deg) angular variations in O-Co2+-O occur along the solid solution series and large changes are found in molar absorption coefficients showing that EAS Co2+-bands are highly sensitive to change in the local structure.

Novel and easy access to highly luminescent Eu and Tb doped ultra-small CaF2, SrF2 and BaF2 nanoparticles - structure and luminescence.

PubMed

Ritter, Benjamin; Haida, Philipp; Fink, Friedrich; Krahl, Thoralf; Gawlitza, Kornelia; Rurack, Knut; Scholz, Gudrun; Kemnitz, Erhard

2017-02-28

A universal fast and easy access at room temperature to transparent sols of nanoscopic Eu 3+ and Tb 3+ doped CaF 2 , SrF 2 and BaF 2 particles via the fluorolytic sol-gel synthesis route is presented. Monodisperse quasi-spherical nanoparticles with sizes of 3-20 nm are obtained with up to 40% rare earth doping showing red or green luminescence. In the beginning luminescence quenching effects are only observed for the highest content, which demonstrates the unique and outstanding properties of these materials. From CaF 2 :Eu10 via SrF 2 :Eu10 to BaF 2 :Eu10 a steady increase of the luminescence intensity and lifetime occurs by a factor of ≈2; the photoluminescence quantum yield increases by 29 to 35% due to the lower phonon energy of the matrix. The fast formation process of the particles within fractions of seconds is clearly visualized by exploiting appropriate luminescence processes during the synthesis. Multiply doped particles are also available by this method. Fine tuning of the luminescence properties is achieved by variation of the Ca-to-Sr ratio. Co-doping with Ce 3+ and Tb 3+ results in a huge increase (>50 times) of the green luminescence intensity due to energy transfer Ce 3+ → Tb 3+ . In this case, the luminescence intensity is higher for CaF 2 than for SrF 2 , due to a lower spatial distance of the rare earth ions.

White Light Emitting MZr4(PO4)6:Dy3+ (M = Ca, Sr, Ba) Phosphors for WLEDs.

PubMed

Nair, Govind B; Dhoble, S J

2017-03-01

A series of MZr 4 (PO 4 ) 6 :Dy 3+ (M = Ca, Sr, Ba) phosphors were prepared by the solid state diffusion method. Confirmation of the phase formation and morphological studies were performed by X-ray powder diffraction (XRD) measurements and scanning electron microscopy, respectively. Photoluminescence (PL) properties of these phosphors were thoroughly analyzed and the characteristic emissions of Dy 3+ ions were found to arise from them at an excitation wavelength of 351 nm. The PL emission spectra of the three phosphors were analyzed and compared. The CIE chromaticity coordinates assured that the phosphors produced cool white-light emission and hence, they are potential candidates for UV excited white-LEDs (WLEDs). Graphical Abstract ᅟ.

Lead-free 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 nanowires for energy harvesting.

PubMed

Zhou, Zhi; Bowland, Christopher C; Malakooti, Mohammad H; Tang, Haixiong; Sodano, Henry A

2016-03-07

Lead-free piezoelectric nanowires (NWs) show strong potential in sensing and energy harvesting applications due to their flexibility and ability to convert mechanical energy to electric energy. Currently, most lead-free piezoelectric NWs are produced through low yield synthesis methods and result in low electromechanical coupling, which limit their efficiency as energy harvesters. In order to alleviate these issues, a scalable method is developed to synthesize perovskite type 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 (BZT-BCT) NWs with high piezoelectric coupling coefficient. The piezoelectric coupling coefficient of the BZT-BCT NWs is measured by a refined piezoresponse force microscopy (PFM) testing method and shows the highest reported coupling coefficient for lead-free piezoelectric nanowires of 90 ± 5 pm V(-1). Flexible nanocomposites utilizing dispersed BZT-BCT NWs are fabricated to demonstrate an energy harvesting application with an open circuit voltage of up to 6.25 V and a power density of up to 2.25 μW cm(-3). The high electromechanical coupling coefficient and high power density demonstrated with these lead-free NWs produced via a scalable synthesis method shows the potential for high performance NW-based devices.

Investigation of structural, ferroelectric, piezoelectric and dielectric properties of Ba0.92Ca0.08TiO3-BaTi0.96Zr0.04O3 lead-free electroceramics

NASA Astrophysics Data System (ADS)

Keswani, Bhavna C.; Patil, S. I.; Kolekar, Y. D.

2018-04-01

Lead free ferroelectric with composition 0.55Ba0.92Ca0.08TiO3-0.45BaTi0.96Zr0.04O3 (BCT8-BZT4) was synthesized by solid state reaction method and investigated their structural, ferroelectric, piezoelectric and dielectric properties. X-ray diffraction analysis shows that BCT8-BZT4 ceramic possess both tetragonal (space group P4mm) and orthorhombic (space group Amm2) crystal structure which was further confirmed from Raman spectra spectroscopy. The micronized grains were observed from scanning electron micrographs while the presence of polarization-electric field hysteresis loop confirms ferroelectric nature of BCT8-BZT4 ceramic. Higher values of maximum polarization (Pmax = 22.27 μC/cm2), remnant polarization (Pr = 11.61 μC/cm2), coercive electric field (Ec = 4.77 kV/cm) and direct piezoelectric coefficient (d33) approximately 185 pC/N were observed. The real part of dielectric constant with frequency shows the usual dielectric dispersion behaviour at RT. The observed properties show that the lead free BCT8-BZT4 ceramic is suitable for ferroelectric memory device, piezoelectric sensor, capacitor, etc. applications.

Natural Cr3+-rich ettringite: occurrence, properties, and crystal structure

NASA Astrophysics Data System (ADS)

Seryotkin, Yurii V.; Sokol, Ella V.; Kokh, Svetlana N.; Murashko, Mikhail N.

2017-08-01

Cr3+-rich ettringite with Cr3+→Al substitution and Cr/(Cr + Al) ratios up to 0.40-0.50 was found in mineral assemblages of the Ma'aleh Adumim area of Mottled Zone (Judean Desert). The Cr3+-rich compositions were the latest in the thaumasite → ettringite-thaumasite solid solution → ettringite → ettringite-bentorite solid solution series. The mineral-forming solution was enriched in Cr3+ and had a pH buffered by afwillite at 11-12. Chromium was inherited from larnite rocks produced by high-temperature combustion metamorphic alteration of bioproductive calcareous sediments. The Cr/(Cr + Al) ratios are within 0.10-0.15 in most of the analysed crystals. This degree of substitution imparts pink colouration to the crystals, but does not affect their habit (a combination of monohedra and a prism). The habit changes to pyramid faces in coarse and later Cr3+-bearing crystals as Cr/(Cr + Al) ratios increase abruptly to 0.40-0.50. Single-crystal XRD analysis of one Cr-free and two Cr3+-rich samples and their structure determination and refinement indicate that the Cr-rich crystals (with Cr/(Cr + Al) to 0.3) preserve the symmetry and metrics of ettringite. The Ca-O bonding network undergoes differentiation with increase of Cr3+ concentration at octahedral M sites. The compression of Ca2 and expansion of Ca1 polyhedra sub-networks correlates with the degree of Cr3+→Al substitution.

Structure and electrical properties of <001> textured (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 lead-free piezoelectric ceramics

NASA Astrophysics Data System (ADS)

Ye, S. K.; Fuh, J. Y. H.; Lu, L.

2012-06-01

<001> textured (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 (BCTZ) lead-free piezoelectric ceramics were prepared by templated-grain growth method using BaTiO3 as template. The degree of orientation and the microstructure of the ceramics with different amount of template were investigated. The electrical properties of the textured-ceramics in the optimized condition were dramatically enhanced compared with randomly-oriented BCTZ ceramics. The textured BCTZ ceramics showed high piezoelectric constants d33 = 470 pC/N and d31 = -170 pC/N, and high electromechanical coupling factors kp = 44% and k31 = 22%. In addition, the Curie point of the textured ceramics revealed an increase with the template content.

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

Fu, Zidong Donna; Klaassen, Curtis D., E-mail: cklaasse@kumc.edu

Previous studies showed glucose and insulin signaling can regulate bile acid (BA) metabolism during fasting or feeding. However, limited knowledge is available on the effect of calorie restriction (CR), a well-known anti-aging intervention, on BA homeostasis. To address this, the present study utilized a “dose–response” model of CR, where male C57BL/6 mice were fed 0, 15, 30, or 40% CR diets for one month, followed by BA profiling in various compartments of the enterohepatic circulation by UPLC-MS/MS technique. This study showed that 40% CR increased the BA pool size (162%) as well as total BAs in serum, gallbladder, and smallmore » intestinal contents. In addition, CR “dose-dependently” increased the concentrations of tauro-cholic acid (TCA) and many secondary BAs (produced by intestinal bacteria) in serum, such as tauro-deoxycholic acid (TDCA), DCA, lithocholic acid, ω-muricholic acid (ωMCA), and hyodeoxycholic acid. Notably, 40% CR increased TDCA by over 1000% (serum, liver, and gallbladder). Interestingly, 40% CR increased the proportion of 12α-hydroxylated BAs (CA and DCA), which correlated with improved glucose tolerance and lipid parameters. The CR-induced increase in BAs correlated with increased expression of BA-synthetic (Cyp7a1) and conjugating enzymes (BAL), and the ileal BA-binding protein (Ibabp). These results suggest that CR increases BAs in male mice possibly through orchestrated increases in BA synthesis and conjugation in liver as well as intracellular transport in ileum. - Highlights: • Dose response effects of short-term CR on BA homeostasis in male mice. • CR increased the BA pool size and many individual BAs. • CR altered BA composition (increased proportion of 12α-hydroxylated BAs). • Increased mRNAs of BA enzymes in liver (Cyp7a1 and BAL) and ileal BA binding protein.« less

Search for d0-Magnetism in Amorphous MB6 (M = Ca, Sr, Ba) Thin Films

NASA Astrophysics Data System (ADS)

Suter, Andreas; Ackland, Karl; Stilp, Evelyn; Prokscha, Thomas; Salman, Zaher; Coey, Michael

In the past decade there have been various reports on insulating or semi-conducting compounds showing weak ferromagnetic-like properties, even though none of their constituent have partially occupied d or f shells. Among them are HfO2 [1], highly oriented pyrolytic graphite [2], CaB2C2 [3], CaB6 [4,5], and ZnO2 [6]. From the very beginning it has been speculated that lattice defects might play a significant role. These effects can potentially be amplified when these materials are grown in thin film form, due to strain and interface effects. With low-energy μSR (LE-μSR) we studied various amorphous thin films of alkaline earth hexaborides MB6 (M = Ca, Sr, Ba) grown on Al2O3. Furthermore, we studied the starting materials which were used for the pulsed laser deposition (PLD) targets for the films with bulk μSR to ensure the quality of these powders. Similar to the results in Ref. [5] we find an increased second moment of the static width (ZF/LF dynamic Kubo-Toyabe function) compared to the nuclear width which suggest a very weak magnetic contribution which must originate from the electronic system (defect polarization, grain boundary effects, etc.). Two complications arise from the fact that a strong quadrupolar level crossing resonance is found in the hexaborides at rather low field values, and muon diffusion sets in at rather low temperature. The thin film results demonstrate a strong suppression of the muon diffusion which makes it more suitable to search for weak magnetic signatures. Indeed we find essentially a temperature independent second moment equal to the low temperature value found in the starting powders. This indicates that the weak magnetic state is stabilized up to much higher temperatures.

Crystal structure and crystal growth of the polar ferrimagnet CaBaFe4O7

NASA Astrophysics Data System (ADS)

Perry, R. S.; Kurebayashi, H.; Gibbs, A.; Gutmann, M. J.

2018-05-01

Magnetic materials are a cornerstone for developing spintronic devices for the transport of information via magnetic excitations. To date, relatively few materials have been investigated for the purpose of spin transport, mostly due to the paucity of suitable candidates as these materials are often chemically complex and difficult to synthesize. We present the crystal growth and a structure solution on the high-temperature crystal structure of the layered, polar ferrimagnet CaBaFe4O7 , which is a possible new contender for spintronics research. The space group is identified as P 3 by refinement of single crystal and powder neutron diffraction data. At 400 K, the trigonal lattice parameters are a =11.0114 (11 )Å and c =10.330 (3 )Å . The structure is similar to the low-temperature phase with alternating layers of triangular and Kagome-arranged Fe-O tetrahedra. We also present details of the crystal growth by traveling solvent method.

Changes of oscillatory activity in pitch processing network and related tinnitus relief induced by acoustic CR neuromodulation

PubMed Central

Adamchic, Ilya; Hauptmann, Christian; Tass, Peter A.

2012-01-01

Chronic subjective tinnitus is characterized by abnormal neuronal synchronization in the central auditory system. As shown in a controlled clinical trial, acoustic coordinated reset (CR) neuromodulation causes a significant relief of tinnitus symptoms along with a significant decrease of pathological oscillatory activity in a network comprising auditory and non-auditory brain areas, which is often accompanied with a significant tinnitus pitch change. Here we studied if the tinnitus pitch change correlates with a reduction of tinnitus loudness and/or annoyance as assessed by visual analog scale (VAS) scores. Furthermore, we studied if the changes of the pattern of brain synchrony in tinnitus patients induced by 12 weeks of CR therapy depend on whether or not the patients undergo a pronounced tinnitus pitch change. Therefore, we applied standardized low-resolution brain electromagnetic tomography (sLORETA) to EEG recordings from two groups of patients with a sustained CR-induced relief of tinnitus symptoms with and without tinnitus pitch change. We found that absolute changes of VAS loudness and VAS annoyance scores significantly correlate with the modulus, i.e., the absolute value, of the tinnitus pitch change. Moreover, as opposed to patients with small or no pitch change we found a significantly stronger decrease in gamma power in patients with pronounced tinnitus pitch change in right parietal cortex (Brodmann area, BA 40), right frontal cortex (BA 9, 46), left temporal cortex (BA 22, 42), and left frontal cortex (BA 4, 6), combined with a significantly stronger increase of alpha (10–12 Hz) activity in the right and left anterior cingulate cortex (ACC; BA 32, 24). In addition, we revealed a significantly lower functional connectivity in the gamma band between the right dorsolateral prefrontal cortex (BA 46) and the right ACC (BA 32) after 12 weeks of CR therapy in patients with pronounced pitch change. Our results indicate a substantial, CR-induced reduction of

Dielectric relaxation and electrical conduction mechanism in A2HoSbO6 (A=Ba, Sr, Ca) Double Perovskite Ceramics: An impedance spectroscopic analysis

NASA Astrophysics Data System (ADS)

Halder, Saswata; Dutta, Alo; Sinha, T. P.

2017-03-01

The AC electrical properties of polycrystalline double perovskite oxides A2HoSbO6 (A=Ba, Sr, Ca; AHS) synthesized by solid state reaction technique has been explored by using impedance spectroscopic studies. The Rietveld refinement of the room temperature X-ray diffraction data show that Ba2HoSbO6 (BHS) has cubic phase and Sr2HoSbO6 (SHS) and Ca2HoSbO6 (CHS) crystallize in monoclinic phase. The samples show significant frequency dispersion in their dielectric properties. The polydispersive nature of the relaxation mechanism is explained by the modified Cole-Cole model. The scaling behavior of dielectric loss indicate the temperature independence of the relaxation mechanism. The magnitude of the activation energy indicates that the hopping mechanism is responsible for carrier transport in AHS. The frequency dependent conductivity spectra follow the double power law. Impedance spectroscopic data presented in the Nyquist plot (Z" versus Z‧) are used to identify an equivalent circuit along with to know the grain, grain boundary and interface contributions. The constant phase element (CPE) is used to analyze the experimental response of BHS, SHS and CHS comprehending the contribution of different microstructural features to the conduction process. The temperature dependent electrical conductivity shows a semiconducting behavior.

Rayleigh analysis of domain dynamics across temperature induced polymorphic phase transitions in lead-free piezoceramics (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3

NASA Astrophysics Data System (ADS)

Abebe, Mulualem; Brajesh, Kumar; Singh Malhotra, Jaskaran; Ranjan, Rajeev

2018-05-01

We carried out a Rayleigh analysis of the dielectric permittivity of a lead-free piezoceramic system (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3 across the composition and temperature induced polymorphic phase transformations to determine the trend in the reversible and irreversible domain wall motion across the composition and temperature induced structural changes. Experiments were carried out on three representative compositions x  =  0.10, 0.2, and 0.25 exhibiting rhombohedral, orthorhombic, and tetragonal phases at room temperature. While confirming that the irreversible Rayleigh parameter is large in the orthorhombic phase, we discuss a correspondence between the reduction in the coercive field and the corresponding increase in the irreversible Rayleigh parameter. We also show how the proximity of the Curie point to the polymorphic phase boundary greatly undermines this correspondence.

Homo- and heterometallic Cu(II)-M(II) (M = Ca, Sr and Ba) bis(salamo)-based complexes: Syntheses, structures and fluorescent properties.

PubMed

Zhao, Qing; Wei, Zhi-Li; Kang, Quan-Peng; Zhang, Han; Dong, Wen-Kui

2018-06-02

Four homo/heterometallic complexes [Cu 3 (L)(μ 2 -OAc) 9 (CH 3 OH) 9 ]·3CHCl 3 (1), [Cu 2 (L)Ca(μ 2 -NO 3 ) 9 ] (9), [{Cu 2 (L)Sr(μ 2 -NO 3 ) 9 } 9 ]·CH 3 CH 2 OH (11) and [Cu 2 (L)Ba(μ 2 -OAc) 9 (OAc)] (14), containing an acyclic naphthalenediol-based ligand H 4 L, were synthesized and characterized by elemental analyses, IR, UV-Vis, fluorescence spectra, TG-DTA and X-ray crystallography. The complex 1 was obtained by the reaction of H 4 L with 11 equivalents of Cu(OAc) 9 ·2H 2 O. The heterometallic complexes 9, 11, 14 were acquired by the reaction of H 4 L with 9 equivalents of Cu(OAc) 9 ·2H 2 O or Cu(NO 3 ) 9 ·2H 2 O and 1 equivalent of M(OAc) 9 (M = Ca, Sr and Ba). Owing to the different coordination cavities of the N 2 O 2 and O 6 of the completely deprotonated (L) 14- unit, the crystal structures showed the N 2 O 2 sites were occupied by Cu(II) atoms, alkaline earth metal(II) atoms occupied the O 6 site of the ligand (L) 14- unit, respectively. Furthermore, the fluorescence properties and TG-DTA analyses were discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

SiO2 and CaF2 Behavior During Shielded Metal Arc Welding and Their Effect on Slag Detachability of the CaO-CaF2-SiO2 Type ENiCrFe-7-Covered Electrode

NASA Astrophysics Data System (ADS)

Wang, Huang; Qin, Renyao; He, Guo

2016-09-01

The metallurgical behavior during shielded metal arc welding (SMAW) and the slag detachability of the CaO-CaF2-SiO2 type ENiCrFe-7-covered electrodes was investigated. The results indicated that the slag detachability could be improved as the SiO2 in the flux coatings decreased. When the SiO2 in the flux coating was 10.9 pct, about 28.3 pct CaF2 resulted in the best slag detachability. The CaF2 and SiO2 in the flux coating interacted during SMAW to form gaseous SiF4 to be evacuated. In the reactions, one SiO2 consumed two CaF2, leading to the reduction of the ratio of CaF2/SiO2. After comparing the slag compositions, the best slag detachability was obtained at CaO:CaF2:SiO2 = 1.7:1.8:1, but the worst slag detachability appeared at CaO:CaF2:SiO2 = 1.3:0.9:1. The XRD analysis revealed that the oxides and fluorides in the slags preferred to gather together to form cuspidine and other complex phases. If the CaF2 was dominant in the slags, they intended to form homogenous porous microstructures that were relatively strong and would most likely detach from the weld metal in blocks, exhibiting good slag detachability. If the cuspidine phase was dominant, the slags exhibited a `rock strata'-like microstructure in the intergranular area. Such microstructure was very fragile and could be broken into fine powders that were easily embedded in the weld ripples, leading to slag adhesions. This work provides the researcher with a wealth of information and data, which will also be beneficial to the welding material producers and users.

TL dosimetry for quality control of CR mammography imaging systems

NASA Astrophysics Data System (ADS)

Gaona, E.; Nieto, J. A.; Góngora, J. A. I. D.; Arreola, M.; Enríquez, J. G. F.

The aim of this work is to estimate the average glandular dose with thermoluminescent (TL) dosimetry and comparison with quality imaging in computed radiography (CR) mammography. For a measuring dose, the Food and Drug Administration (FDA) and the American College of Radiology (ACR) use a phantom, so that dose and image quality are assessed with the same test object. The mammography is a radiological image to visualize early biological manifestations of breast cancer. Digital systems have two types of image-capturing devices, full field digital mammography (FFDM) and CR mammography. In Mexico, there are several CR mammography systems in clinical use, but only one system has been approved for use by the FDA. Mammography CR uses a photostimulable phosphor detector (PSP) system. Most CR plates are made of 85% BaFBr and 15% BaFI doped with europium (Eu) commonly called barium flourohalideE We carry out an exploratory survey of six CR mammography units from three different manufacturers and six dedicated X-ray mammography units with fully automatic exposure. The results show three CR mammography units (50%) have a dose greater than 3.0 mGy without demonstrating improved image quality. The differences between doses averages from TLD system and dosimeter with ionization chamber are less than 10%. TLD system is a good option for average glandular dose measurement for X-rays with a HVL (0.35-0.38 mmAl) and kVp (24-26) used in quality control procedures with ACR Mammography Accreditation Phantom.

White light emission and effect of annealing on the Ho{sup 3+}–Yb{sup 3+} codoped BaCa{sub 2}Al{sub 8}O{sub 15} phosphor

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

Kumari, Astha; Rai, Vineet Kumar, E-mail: vineetkrrai@yahoo.co.in

Graphical abstract: The upconversion emission spectra of the Ho{sup 3+}/Yb{sup 3+} doped/codoped BaCa{sub 2}Al{sub 8}O{sub 15} phosphors with different doping concentrations of Ho{sup 3+}/Yb{sup 3+} ions along with UC emission spectrum of the white light emitting phosphor annealed at 800 °C. - Highlights: • BaCa{sub 2}Al{sub 8}O{sub 15} phosphors codoped with Ho{sup 3+}–Yb{sup 3+} have been prepared by combustion method. • Phosphor annealed at 800 °C, illuminate an intense white light upon NIR excitation. • The sample annealed at higher temperatures emits in the pure green region. • The colour emitted persists in the white region even at high pumpmore » power density. • Developed phosphor is suitable for making upconverters and WLEDs. - Abstract: The BaCa{sub 2}Al{sub 8}O{sub 15} (BCAO) phosphors codoped with suitable Ho{sup 3+}–Yb{sup 3+} dopant concentration prepared by combustion method illuminate an intense white light upon near infrared diode laser excitation. The structural analysis of the phosphors and the detection of impurity contents have been performed by using the X-Ray Diffraction, FESEM and FTIR analysis. The purity of white light emitted from the sample has been confirmed by the CIE chromaticity diagram. Also, the white light emitted from the sample persists with the variation of pump power density. The phosphors emit upconversion (UC) emission bands in the blue, green and red region (three primary colours required for white light emission) along with one more band in the near infrared region of the electromagnetic spectrum. On annealing the white light emitting sample at higher temperatures, the sample starts to emit green colour and also the intensity of green and red UC emission bands get enhanced largely.« less

Structures and unimolecular chemistry of M(Pro2-H)(+) (M = Mg, Ca, Sr, Ba, Mn, Fe, Co, Ni, Cu, Zn) by IRMPD spectroscopy, SORI-CID, and theoretical studies.

PubMed

Jami-Alahmadi, Yasaman; Fridgen, Travis D

2016-01-21

M(Pro2-H)(+) complexes were electrosprayed and isolated in an FTICR cell where their unimolecular chemistries and structures were explored using SORI-CID and IRMPD spectroscopy. These experiments were augmented by computational methods such as electronic structure, simulated annealing, and atoms in molecules (AIM) calculations. The unimolecular chemistries of the larger metal cation (Ca(2+), Sr(2+) and Ba(2+)) complexes predominantly involve loss of neutral proline whereas the complexes involving the smaller Mg(2+) and transition metal dications tend to lose small neutral molecules such as water and carbon dioxide. Interestingly, all complexes involving transition metal dications except for Cu(Pro2-H)(+) lose H2 upon collisional or IRMPD activation. IRMPD spectroscopy shows that the intact proline in the transition metal complexes and Cu(Pro2-H)(+) is predominantly canonical (charge solvated) while for the Ca(2+), Sr(2+), and Ba(2+) complexes, proline is in its zwitterionic form. The IRMPD spectra for both Mg(Pro2-H)(+) and Mn(Pro2-H)(+) are concluded to have contributions from both charge-solvated and canonical structures.

Improvement of Corrosion Resistance of Binary Mg-Ca Alloys Using Duplex Aluminum-Chromium Coatings

NASA Astrophysics Data System (ADS)

Daroonparvar, Mohammadreza; Yajid, Muhamad Azizi Mat; Yusof, Noordin Mohd; Bakhsheshi-Rad, Hamid Reza; Adabi, Mohsen; Hamzah, Esah; Kamali, Hussein Ali

2015-07-01

Al-AlCr was coated on Mg-Ca and Mg-Zn-Ce-La alloys using physical vapor deposition method. The surface morphology of the specimens was characterized by x-ray diffraction, scanning electron microscopy equipped with energy-dispersive x-ray spectroscopy, and atomic force microscopy (AFM). The AFM results indicated that the average surface roughness of Al-AlCr coating on the Mg-Ca alloy is much lower than that of Al-AlCr coating on the Mg-Zn-Ce-La alloy. However, Al-AlCr coating on the Mg-Ca alloy presented a more compact structure with fewer pores, pinholes, and cracks than Al-AlCr coating on the Mg-Zn-Ce-La alloy. Electrochemical studies revealed that the novel coating (Al-AlCr) can remarkably reduce the corrosion rate of the Mg-Ca alloy in 3.5 wt.% NaCl solution. It was seen that the anodic current density of the Al-AlCr-coated Mg-Ca alloy was very small when compared to the Al-AlCr-coated Mg-Zn-Ce-La and uncoated alloys. Impedance modulus ( Z) of the Al-AlCr-coated samples was higher than that of the bare Mg alloys. Z of Al-AlCr-coated Mg-Ca alloy was higher than that of the Al-AlCr-coated Mg-Zn-Ce-La alloy at low frequency.

Incorporation of Mg, Sr, Ba, U, and B in High-Mg Calcite Benthic Foraminifers Cultured Under Controlled pCO2

NASA Astrophysics Data System (ADS)

Not, C.; Thibodeau, B.; Yokoyama, Y.

2018-01-01

Measurement of elemental ratios (E/Ca) has been performed in two symbiont-bearing species of high-Mg calcite benthic foraminifers (hyaline, Baculogypsina sphaerulata and porcelaneous, Amphisorus hemprichii), cultured under five pCO2 levels, representing preindustrial, modern, and three predicted future values. E/Ca ratios were analyzed by Laser Ablation coupled with Inductively Coupled Plasma Mass Spectrometer (LA-ICP-MS). We measured several E/Ca, such as Mg/Ca, Sr/Ca, Ba/Ca, U/Ca, and B/Ca simultaneously. We observed that high-Mg calcite benthic foraminifers possess higher E/Ca than low-Mg calcite foraminifers, irrespective of their calcification mode (hyaline or porcelaneous). In both modes of calcification, Mg, Sr, Ba, U, and B incorporation could be controlled by Rayleigh fractionation. However, more data are needed to validate and quantify the relative importance of this process and closely investigate the presence/absence of other mechanism. Therefore, it highlights the need for a multielemental approach when looking at trace element incorporation. Finally, no significant relationship was observed between the different ratios and the pCO2 of the water, suggesting that none of the Mg/Ca, Sr/Ca, Ba/Ca, U/Ca, and B/Ca is sensitive to bottom water pCO2 or pH for these species.

Crystallization of high-Ca chromium garnet upon interaction of serpentine, chromite, and Ca-bearing hydrous fluid

NASA Astrophysics Data System (ADS)

Chepurov, A. A.; Turkin, A. I.; Pokhilenko, N. P.

2017-10-01

The results of experimental modeling of the conditions of crystallization of high-Ca chromium garnets in the system serpentine-chromite-Ca-Cr-bearing hydrous fluid at a pressure of 5 GPa and temperature of 1300°C are reported. The mineral association including quantitatively predominant high-Mg olivine and diopside-rich clinopyroxene, bright-green garnet, and newly formed chrome spinel was formed. Garnet mostly crystallized around primary chromite grains and was characterized by a high concentration of CaO and Cr2O3. According to the chemical composition, garnets obtained are close to the uvarovite-pyrope varieties, which enter the composition of relatively rare natural paragenesis of garnet wehrlite. The experimental data obtained clearly show that high-Ca chromium garnets are formed in the reaction of chromite-bearing peridotite and Ca-rich fluid at high P-T parameters.

Phase transition behaviours near the triple point for Pb-free (1 - x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 piezoceramics

NASA Astrophysics Data System (ADS)

Gao, Jinghui; Dai, Ye; Hu, Xinghao; Ke, Xiaoqin; Zhong, Lisheng; Li, Shengtao; Zhang, Lixue; Wang, Yu; Wang, Dong; Wang, Yan; Liu, Yongbin; Xiao, Hu; Ren, Xiaobing

2016-08-01

The reason for the large electromechanical response in Pb-free piezoceramic Ba(Zr0.2Ti0.8)O3-(Ba0.7Ca0.3)TiO3 (BZT-BCT) still remains controversial, and a central issue is whether or not the multi-phase-coexisting point (triple point) in the phase diagram is a thermodynamic tricritical point. In this letter, we study the phase transition behaviour for the ferro-para transitions of BZT-BCT specimens in the vicinity of a triple point. Our results show that latent heat and thermal hysteresis approach zero, while the permittivity peak value is maximized close to the triple-point composition, which suggests that the triple point exhibits nearly tricritical transition behaviours in the BZT-BCT system. Further, the TEM result shows that the domain width is minimized with composition approaching the triple point, which indicates a reduction of the domain wall energy possibly relevant to the tricriticality of the triple point. A sixth-order Landau energy modeling shows that the triple tricritical point provides a free-energy state of near-vanishing polarization anisotropy and thus enhances the piezoelectric response for such a material system.

DFT study on the crystal, electronic and magnetic structures of tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe) via GGA and GGA + U

NASA Astrophysics Data System (ADS)

Saad, H.-E.; Musa, M.; Elhag, Ahmed

2018-06-01

In this paper, we study the crystal, electronic and magnetic structures of three tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe). All calculations were performed using the full-potential linear augmented plane-wave (PF-LAPW) method based on the first-principles density functional theory (DFT). For the exchange correlation potential, the generalized gradient approximation (GGA) and GGA plus on-site Coulomb parameter (GGA + U) were employed. The structural optimization reveals that the three compounds are stable in cubic structure (space group Fm-3m; tilt system a0a0a0). The band structure, density of states (DOS), charge density and spin magnetic moments were calculated and analyzed in details. By analysis the band structure and DOS, Ba2MTaO6 exhibits an insulating behavior (M = Cr, Fe) and a half-metallic (HM) nature (M = Mn). GGA + U method yields quite accurate results for the band-gap (Eg) as compared with GGA. We found that all three compounds have stable ferromagnetic (FM) ground state within GGA and GGA + U calculations. The M3+ (3d) ions contribute the majority in the total spin magnetic-moments, while, the empty T5+ (5d) ions carry very small induced magnetic moment via the M (3d)-O (2p)-Ta (5d) hybridization.

Domain wall motion and electromechanical strain in lead-free piezoelectrics: Insight from the model system (1 - x)Ba(Zr 0.2Ti 0.8)O 3-x(Ba 0.7Ca 0.3)TiO 3 using in situ high-energy X-ray diffraction during application of electric fields

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

Tutuncu, Goknur; Li, Binzhi; Bowman, Keith

The piezoelectric compositions (1 - x)Ba(Zr 0.2Ti 0.8)O 3–x(Ba 0.7Ca 0.3)TiO 3 (BZT-xBCT) span a model lead-free morphotropic phase boundary (MPB) between room temperature rhombohedral and tetragonal phases at approximately x = 0.5. In the present work, in situ X-ray diffraction measurements during electric field application are used to elucidate the origin of electromechanical strain in several compositions spanning the tetragonal compositional range 0.6 ≤ x ≤ 0.9. As BCT concentration decreases towards the MPB, the tetragonal distortion (given by c/a-1) decreases concomitantly with an increase in 90° domain wall motion. The increase in observed macroscopic strain is predominantly attributedmore » to the increased contribution from 90° domain wall motion. The results demonstrate that domain wall motion is a significant factor in achieving high strain and piezoelectric coefficients in lead-free polycrystalline piezoelectrics.« less

Average and local structure of the Pb-free ferroelectric perovskites ( Sr , Sn ) TiO 3 and ( Ba , Ca , Sn ) TiO 3

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

Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro

2015-12-16

The characteristic structural off -centering of Pb 2+ in oxides, associated with its 6s 2 lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr 0.9Sn 0.1TiO 3 and Ba 0.79Ca 0.16Sn 0.05TiO 3 using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn 2+ appears to display some of the characteristics of Pb 2+. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compoundsmore » SrTiO 3 and BaTiO 3. Lastly, we find that even at these small substitution levels, the Sn 2+ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO 3 rather than the parent compounds.« less

Photoluminescence of A- and B-site Eu{sup 3+}-substituted (Sr{sub x}Ba{sub 1−x}){sub 2}CaW{sub y}Mo{sub 1−y}O{sub 6} phosphors

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

Sletnes, M.; Lindgren, M.; Valmalette, J.C.

The photoluminescence of two series of A- and B-site Eu{sup 3+} substituted (Sr{sub x}Ba{sub 1−x}){sub 2}CaW{sub y}Mo{sub 1−y}O{sub 6} double perovskite phosphor materials, (Sr{sub x}Ba{sub 1−x}){sub 1.96}Eu{sub 0.02}K{sub 0.02}CaW{sub y}Mo{sub 1−y}O{sub 6} and (Sr{sub x}Ba{sub 1−x}){sub 2}Ca{sub 0.96}Eu{sub 0.02}Li{sub 0.02}W{sub y}Mo{sub 1−y}O{sub 6} (x and y=0, 0.25, 0.50, 0.75, and 1), were studied systematically as a function of stoichiometry and crystal structure. The Eu{sup 3+} lattice sites controlled by co-doping with either K or Li were confirmed by Raman spectroscopy. The variation in integrated emission intensity and emission colour over the experimental matrix was examined using statistical tools, and themore » observed trends were rationalized based on the physical and electronic structure of the phosphors. Phosphors with Eu on B-site with maximum Sr content had remarkably higher emission intensities than all other materials, but the emission was more orange than red due to domination of the {sup 5}D{sub 0}–{sup 7}F{sub 1} (595 nm) transition of Eu{sup 3+}. The relative intensities of the {sup 5}D{sub 0}–{sup 7}F{sub 2} (615 nm) and {sup 5}D{sub 0}–{sup 7}F{sub 1} transitions of Eu{sup 3+}, and thus the red-shift of the emission, decreased linearly with increasing Sr content in the A-site Eu-substituted phosphors, and reached a maximum for Sr{sub 1.96}Eu{sub 0.02}K{sub 0.02}CaW{sub 0.25}Mo{sub 0.75}O{sub 6}. A maximum external quantum efficiency of 17% was obtained for the phosphor Sr{sub 2}Ca{sub 0.7}Eu{sub 0.15}Li{sub 0.15}W{sub 0.5}Mo{sub 0.5}O{sub 6} with Eu on B-site. - Highlights: • Systematic study of the photoluminescence of Eu{sup 3+}-doped (Sr{sub x}Ba{sub 1−x}){sub 2}CaW{sub y}Mo{sub 1−y}O{sub 6}. • The Eu{sup 3+} lattice sites were confirmed by Raman spectroscopy. • A large parameter space was investigated using statistical tools. • A maximum external QE of 17% was obtained for Sr{sub 2}Ca{sub 0.7}Eu{sub 0

Room temperature magnetoelectric coupling in BaTi{sub 1−x}Cr{sub x}O{sub 3} multiferroic thin films

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

Sundararaj, Anuraj; Chandrasekaran, Gopalakrishnan, E-mail: hod.nano@ktr.srmuniv.ac.in; Therese, Helen Annal

2016-01-14

We report on room temperature (RT) magnetoelectric coupling in tetragonal BaTi{sub 1−x}Cr{sub x}O{sub 3} thin film multiferroics (BTCO) sputter deposited on (100) SrTiO{sub 3} (where x = 0.005, 0.01, 0.02, and 0.03). As-deposited thin films are vacuum annealed by electron beam rapid thermal annealing technique. 50 nm thick BTCO with “x = 0.01” shows RT ferromagnetic and ferroelectric response with saturation magnetic moment of 1120 emu/cc and polarization of 14.7 microcoulomb/cm{sup 2}. Piezoresponse/magnetic force microscope images shows RT magnetoelectric coupling in BTCO with “x = 0.01,” which is confirmed using magnetocapacitance measurement where an increase in capacitance from 17.5 pF to 18.4 pF is observed with an applied magneticmore » field.« less

Synthesis, characterization of double perovskite Ca{sub 2}MSbO{sub 6} (M = Dy, Fe, Cr, Al) materials via sol–gel auto-combustion and their catalytic properties

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

Feraru, S.; Samoila, P.; Borhan, A.I.

2013-10-15

Double perovskite-type oxide Ca{sub 2}MSbO{sub 6} materials, where M = Dy, Fe, Cr, and Al, were prepared by using the sol–gel auto-combustion method. The role of different B-site cations on their synthesis, structures, morphologies and catalytic properties was investigated. The progress of double-perovskite type structure formation and the disappearance of the organic phases were monitored by infrared absorption spectroscopy (FTIR). Double perovskite oxide structures were evaluated using X-ray diffraction (XRD), while the microstructure of obtained compounds was studied using scanning electron microscopy (SEM). Also, BET surface areas were measured at the liquid nitrogen temperature by nitrogen adsorption. Catalytic properties ofmore » the obtained compounds were evaluated by test reaction of hydrogen peroxide decomposition. - Highlights: • Ca{sub 2}MSbO{sub 6} double perovskites were obtained by sol–gel auto-combustion method. • Ca{sub 2}MSbO{sub 6} (M = Dy, Fe, Cr and Al) as catalysts in H{sub 2}O{sub 2} decomposition • Strong relationship between particles' shape, BET area and catalytic performance • Ca{sub 2}FeSbO{sub 6} spherical grains show superior catalytic activity.« less

Decoupling of magnetism and electric transport in single-crystal (Sr1‑x A x )2IrO4 (A  =  Ca or Ba)

NASA Astrophysics Data System (ADS)

Zhao, H. D.; Terzic, J.; Zheng, H.; Ni, Y. F.; Zhang, Y.; Ye, Feng; Schlottmann, P.; Cao, G.

2018-06-01

We report a systematical structural, transport and magnetic study of Ca or Ba doped Sr2IrO4 single crystals. Isoelectronically substituting Ca2+ (up to 15%) or Ba2+ (up to 4%) ion for the Sr2+ ion provides no additional charge carriers but effectively changes the lattice parameters in Sr2IrO4. In particular, 15% Ca doping considerably reduces the c-axis and the unit cell by nearly 0.45% and 1.00%, respectively. These significant, anisotropic compressions in the lattice parameters conspicuously cause no change in the Néel temperature which remains at 240 K, but drastically reduces the electrical resistivity by up to five orders of magnitude or even precipitates a sharp insulator-to-metal transition at lower temperatures, i.e. the vanishing insulating state accompanies an unchanged Néel temperature in (Sr1‑x A x )2IrO4. This observation brings to light an intriguing difference between chemical pressure and applied pressure, the latter of which does suppress the long-range magnetic order in Sr2IrO4. This difference reveals the importance of the Ir1–O2–Ir1 bond angle and homogenous volume compression in determining the magnetic ground state. All results, along with a comparison drawn with results of Tb and La doped Sr2IrO4, underscore that the magnetic transition plays a nonessential role in the formation of the charge gap in the spin–orbit-tuned iridate.

Spontaneous Ca2+ spiking in a vascular smooth muscle cell line is independent of the release of intracellular Ca2+ stores.

PubMed

Byron, K L; Taylor, C W

1993-04-05

Monolayers of fura-2-loaded A7r5 cells, a cell line derived from rat embryonic aorta, generated spontaneous Ca2+ spikes that were synchronized within the cell population. These Ca2+ spikes were abolished by removal of extracellular Ca2+ or addition of nimodipine (50 nM), and their frequency was increased by depolarization with high K+ or by treatment with BAYK 8644 (1 microM), indicating that Ca2+ entry through L-type Ca2+ channels is required for Ca2+ spiking. Several lines of evidence indicate that mobilization of intracellular Ca2+ stores is not necessary for this Ca2+ spiking. 1) Ryanodine (0.1-50 microM) neither stimulated Ca2+ mobilization nor affected Ca2+ spiking; 2) the complex effects of caffeine were mimicked by theophylline, 8-bromo-cyclic adenosine 3':5'-monophosphate (8-bromo-cAMP), and forskolin, suggesting that the caffeine effects may be mediated by cAMP and not by ryanodine receptors; 3) prolonged incubation with thapsigargin (50 nM), which depletes intracellular Ca2+ stores, did not affect the frequency of Ca2+ spiking; 4) Ba2+ or Sr2+ could substitute for Ca2+ in the spike-generating mechanism even when intracellular stores were depleted of Ca2+. Under conditions where the sarcoplasmic reticulum (SR) contained Ca2+, Ba2+ spikes did not cause Ca2+ mobilization. The mechanisms involved in generating spontaneous Ca2+ spiking in A7r5 cells are therefore likely to reside in the sarcolemma and to operate independently of SR Ca2+ uptake and release.

Preliminary studies of laser-induced breakdown spectrometry for the determination of Ba, Cd, Cr and Pb in toys

NASA Astrophysics Data System (ADS)

Godoi, Quienly; Santos, Dario, Jr.; Nunes, Lidiane C.; Leme, Flávio O.; Rufini, Iolanda A.; Agnelli, José A. M.; Trevizan, Lilian C.; Krug, Francisco J.

2009-06-01

The performance of laser-induced breakdown spectrometry (LIBS) for the determination of Ba, Cd, Cr and Pb in toys has been evaluated by using a Nd:YAG laser operating at 1064 nm and an Echelle spectrometer with intensified charge-coupled device detector. Samples were purchased in different cities of São Paulo State market and analyzed directly without sample preparation. Laser-induced breakdown spectrometry experimental conditions (number of pulses, delay time, integration time gate and pulse energy) were optimized by using a Doehlert design. Laser-induced breakdown spectrometry signals correlated reasonably well with inductively coupled plasma optical emission spectrometry (ICP OES) concentrations after microwave-assisted acid digestion of selected samples. Thermal analysis was used for polymer identification and scanning electron microscopy to visualize differences in crater geometry of different polymers employed for toy fabrication. Results indicate that laser-induced breakdown spectrometry can be proposed as a rapid screening method for investigation of potentially toxic elements in toys. The unique application of laser-induced breakdown spectrometry for identification of contaminants in successive layers of ink and polymer is also demonstrated.

Magnetic and thermoelectric properties of the ternary pseudo-hollandite BaxCr5Se8 (0.5 < x < 0.55) solid solution.

PubMed

Lefèvre, Robin; Berthebaud, David; Bux, Sabah; Hébert, Sylvie; Gascoin, Franck

2016-07-26

The structure of Ba0.5Cr5Se8 has been recently resolved, and its thermoelectric and magnetic properties have been studied. A ZT of 0.12 was found at around 800 K. Here, we report a study on the pseudo-hollandite BaxCr5Se8 solid-solution with 0.5 ≤ x ≤ 0.55 and its thermoelectric and magnetic properties. There is no significant impact either on the cell parameters depending on the cation content or on the magnetic properties. However, thermoelectric properties are radically changed depending on x content. While the low thermal conductivity, around 0.8 W m(-1) K(-1), remains similar for all samples, a respective increase and decrease of the resistivity and the Seebeck coefficient are observed with increasing Ba content. The maximum Seebeck coefficient is found with Ba0.5Cr5Se8 at around 635 K with 315 μV K(-1), and the Seebeck coefficient then decreases and is correlated with an activation of minority charge carriers confirmed by Hall measurements. A similar but steeper behavior is observed for the Ba0.55Cr5Se8 temperature dependence plot at around 573 K. Finally, the best thermoelectric performances are found using the lowest content of Ba, unlike when x tends to 0.55, ZT approaches a tenth of the initial best value. BaxCr5Se8 compounds are antiferromagnetic with TN = 58 K. A large peak in thermal conductivity is observed around the antiferromagnetic transition for all stoichiometry.

X-ray photoemission studies of Zn doped Cu 1- xTl xBa 2Ca 2Cu 3- yZn yO 10- δ ( y = 0, 2.65) superconductors

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Mumtaz, M.; Ahadian, M. M.; Iraji-zad, Azam

2007-03-01

The X-ray photoemission (XPS) measurements of Cu 1- xTl xBa 2Ca 2Cu 3- yZn yO 10- δ ( y = 0, 2.65) superconductors have been performed and compared. These studies revealed that the charge state of thallium in the Cu 0.5Tl 0.5Ba 2O 4- δ charge reservoir layer in Zn doped samples is Tl 1+, while it is a mix of Tl 1+ and Tl 2+ in Zn free samples. The binding energy of Ba atoms in the Zn doped samples is shifted to higher energy, which when considered along with the presence of Tl 1+ suggested that it more efficiently directed the carriers to ZnO 2 and CuO 2 planes. The evidence of improved inter-plane coupling witnessed in X-ray diffraction is also confirmed by XPS measurements of Ca atoms in the Zn doped samples. The shift of the valance band spectrum in these Zn doped samples to higher energies suggested that the electrons at the top edge of the valance band were tied to a higher binding energy (relative to samples without Zn doping), which most likely resulted in a much lower energy state of the system in the superconducting state. The stronger superconducting state arising out of these effects is witnessed in the form of increased Tc( R = 0), Jc and the extent of diamagnetism in the final compound.

A new series of oxycarbonate superconductors (Cu{sub 0.5}C{sub 0.5}){sub m}Ba{sub m+1}Ca{sub n-1}Cu{sub n}O{sub 2}({sub m+n})+1

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

Takayama-Muromachi, E.; Kawashima, T.; Matsui, Y.

1994-12-31

We found a new series of oxycarbonate superconductors in the Ba-Ca-Cu-C-O system under high pressure of 5 GPa. Their ideal formula is (Cu{sub 0.5}C{sub 0.5}){sub m}Ba{sub m+1}Ca{sub n-1}Cu{sub n}O{sub 2}({sub m+n})+1 ((Cu,C)-m(m+1)(n-1)n). Thus far, n=3, 4 members of the m=1 series, (Cu,C)-1223 and (Cu,C)-1234, have been prepared in bulk while n=4, 5 members, (Cu,C)-2334 and (Cu,C)-2345, have been prepared for the m=2 series. (Cu,C)-1223 shows superconductivity below 67 K while T{sub c}`s of other compounds are above 110 K. In particular, (Cu,C)=1234 has the highest T{sub c} of 117 K.

Thermoelectric power of high-pressure synthesized CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub 11{minus}{delta}}

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

Liu, C.; Jin, C.; Yamauchi, H.

We report measurements of thermoelectric power (TEP) for high-pressure synthesized CuBa{sub 2}Ca{sub 3}Cu{sub 4}O{sub 11{minus}{delta}} superconductors. The magnitude of TEP for the sample with {ital T}{sub {ital c},zero}=115.9 K is very small and shows a sign crossover at {approximately}160 K. The TEP shows a peak behavior and displays an approximately linear temperature dependence with a negative slope {minus}0.033 {mu}V/K{sup 2} for 120{le}{ital T}{le}240 K. These features resemble those for other known high-{ital T}{sub {ital c}} cuprate superconductors, in particular {ital S}{sub {ital a}} in the {ital a} direction for an untwinned YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} single crystal and polycrystalline Tl-2201more » samples. A brief discussion is given on the TEP behavior in comparison with CuBa{sub 2}YCu{sub 2}O{sub 7{minus}{delta}} cuprate superconductors by considering their similar structure of building blocks and type of charge reservoir. {copyright} {ital 1996 The American Physical Society.}« less

Crystal structure and magnetic properties of Cr doped barium hexaferrite

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Supriya, Sweety; Pandey, Rabichandra; Pradhan, Lagen Kumar; Kar, Manoranjan

2018-04-01

The Cr3+ substituted BaFe12O19 has been synthesized by modified sol-gel method to tailor the magnetic anisotropy and coercivity for technological applications. Some basic studies have revealed that this substitution leads to unusual interactions among the magnetic sublattices of the M-type hexaferrite. In order to investigate these interactions, BaFe12-xCrxO19 (x = 0.0, 0.5, 1.0, 2.0, and 4.0) M-type hexaferrites were characterized by employing XRD (X-ray Diffractometer). It is confirmed that, all the samples are in nanocrystalline and single phase, no impurity has been detected within the XRD limit. The magnetic hysteresis (m-H) loops revealed the ferromagnetic nature of nanoparticles (NPs). The coercive field were increasing with the increasing Cr3+ content, but after the percolation limit it decreases. The magnetocrystalline anisotropy is increasing with the Cr3+ concentration in samples and high values of magnetocrystalline anisotropy revealed that all samples are hard magnetic materials. Magnetic hysteresis loops were analyzed using the Law of Approach to Saturation method.

Growth of (Y1-x Ca x )Ba2Cu4O8 in ambient pressure and its tri-axial magnetic alignment

NASA Astrophysics Data System (ADS)

Horii, S.; Yamaki, M.; Shimoyama, J.; Kishio, K.; Doi, T.

2015-10-01

We report the growth of single crystals in ambient pressure and tri-axial orientation under modulated rotation magnetic fields (MRFs) for (Y1-x Ca x )Ba2Cu4O8 [(Y1-x Ca x )124] with x ≤ 0.1. Rectangular (Y1-x Ca x )124 crystals approximately 50 μm in size have been successfully grown for x ≤ 0.1 in a growth temperature region from 650 °C to 750 °C. Their critical temperatures increased with x and exhibited approximately 91 K for x = 0.1. By applying an MRF of 10 T, pulverised powders of (Y1-x Ca x )124 were tri-axially aligned in epoxy resin at room temperature in a whole x region below x = 0.1. The magnitude relationship of the magnetic susceptibilities (χ) along crystallographic directions for (Y1-x Ca x )124 was χ c > χ a > χ b at room temperature and was unchanged with a change in x. From changes in the degrees of the c-axis and the in-plane orientation (Δω) for the (Y1-x Ca x )124 powder samples aligned under three different MRF conditions, it was found that MRFs above at least 1 T were required to achieve almost complete tri-axial alignment with Δω < 5°. Irreversibility lines for H//c were successfully determined even from the powder samples by the introduction of magnetic alignment without using single crystalline samples. The present study indicates that magnetic alignment is a useful process for the fabrication of quasi-single-crystals from the perspective of solid-state physics and the production of cuprate superconducting materials.

Cr, Mn, and Ca distributions for olivine in angritic systems: Constraints on the origins of Cr-rich and Ca-poor core olivine in angrite LEW87051

NASA Technical Reports Server (NTRS)

Mikouchi, T.; Mckay, G.; Le, L.

1994-01-01

Angrite meteorites are a type of basaltic achondrites that are noted for their very old cyrstallization ages (4.55 b.y.) and unusual chemical and mineralogical properties. In spite of great interest, only four angrites have been found. LEW87051 is the smallest one which weighs 0.6 g. It is a porphyritic rock with coarse subhedral to euhedral olivines set in a fine-grained groundmass which clearly represents a crystallized melt. The largest uncertainty about the petrogenesis of LEW87051 is the relationship between the large olivine crystals and the groundmass. Prinz et al. suggests that olivines are xenocrysts, while McKay et al. proposed a fractional cyrstallization model based on experimental studies. However, the crystals have Cr-rich and Ca-poor cores which do not match experimental olivines. Although Jurewicz and McKay tried to explaine the zoning of the rim by diffusion, some features are not explained. There also exists a definite composition boundary of Fe(2+) and MnO between the core and the rim. To clarify the origin of these olivines, we have performed experiments using LEW87051 analogs to measure the effects of oxygen fugacity on distribution coefficients of various elements in an angritic system.

Neutron diffraction study and theoretical analysis of the antiferromagnetic order and the diffuse scattering in the layered kagome system CaBaCo2Fe2O7

NASA Astrophysics Data System (ADS)

Reim, J. D.; Rosén, E.; Zaharko, O.; Mostovoy, M.; Robert, J.; Valldor, M.; Schweika, W.

2018-04-01

The hexagonal swedenborgite, CaBaCo2Fe2O7 , is a chiral frustrated antiferromagnet, in which magnetic ions form alternating kagome and triangular layers. We observe a long-range √{3 }×√{3 } antiferromagnetic order setting in below TN=160 K by neutron diffraction on single crystals of CaBaCo2Fe2O7 . Both magnetization and polarized neutron single crystal diffraction measurements show that close to TN spins lie predominantly in the a b plane, while upon cooling the spin structure becomes increasingly canted due to Dzyaloshinskii-Moriya interactions. The ordered structure can be described and refined within the magnetic space group P 31 m' . Diffuse scattering between the magnetic peaks reveals that the spin order is partial. Monte Carlo simulations based on a Heisenberg model with two nearest-neighbor exchange interactions show a similar diffuse scattering and coexistence of the √{3 }×√{3 } order with disorder. The coexistence can be explained by the freedom to vary spins without affecting the long-range order, which gives rise to ground-state degeneracy. Polarization analysis of the magnetic peaks indicates the presence of long-period cycloidal spin correlations resulting from the broken inversion symmetry of the lattice, in agreement with our symmetry analysis.

Development of very high J c in Ba(Fe 1-xCo x) 2As 2 thin films grown on CaF 2

DOE PAGES

Tarantini, C.; Kametani, F.; Lee, S.; ...

2014-12-03

Ba(Fe 1-xCo x) 2As 2 is the most tunable of the Fe-based superconductors (FBS) in terms of acceptance of high densities of self-assembled and artificially introduced pinning centres which are effective in significantly increasing the critical current density, J c. Moreover, FBS are very sensitive to strain, which induces an important enhancement in critical temperature,T c, of the material. In this study we demonstrate that strain induced by the substrate can further improve J c of both single and multilayer films by more than that expected simply due to the increase in T c. The multilayer deposition of Ba(Fe 1-xComore » x) 2As 2 on CaF 2 increases the pinning force density (F p=J c x μ₀H) by more than 60% compared to a single layer film, reaching a maximum of 84 GN/m 3 at 22.5 T and 4.2 K, the highest value ever reported in any 122 phase.« less

Structure and properties of CaMnO3/SrMnO3/BaMnO3 superlattices from first principles

NASA Astrophysics Data System (ADS)

Li, Shen; Oh, Seongshik; Rabe, Karin

2008-03-01

Previous theoretical and experimental studies have shown that three-component, or ``tri-color'' superlattices can exhibit intrinsic electric polarization due to inversion-symmetry breaking in the layer sequence. In ferromagnetic inversion-symmetry-breaking superlattices, controlled symmetry lowering is similarly expected to lead to interesting new and tunable properties. Here, we present results of first-principles density-functional-theory calculations for short-period CaMnO3/SrMnO3/BaMnO3 superlattices, using VASP. The ground state structure, magnetic ordering, polarization and dielectric response will be presented. The role of epitaxial strain in the individual layers and the role of layer sequence will be explored. Connections to experimental studies and prospects for future work will be discussed.

Effect of Zn on the structural and electrical properties of high temperature HgBa2Ca2Cu3O8+δ superconductor

NASA Astrophysics Data System (ADS)

Omar, Bilal A.; Fathi, Sabah J.; Jassim, Kareem A.

2018-05-01

Bulk polycrystalline HgBa2Ca2-yZnyCu3O8+δ compound samples with y =0.0, 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3, are synthesized by a solid state reaction process. Study identifies Zinc partial substitution on superconductivity behavior. Structural properties are studied by using X-ray powder pattern, the high temperature phase superconductor (Hg-1223) of the tetragonal structure didn't change with the partial substitution of Zn ions in Ca site, lattice parameters c, c/a are established to vary Zn-substitution. The surface morphology has been studied by using atomic force microscopes (AFM), showed that all specimens have good crystalline and homogeneous surface. Also give a best nano size value is 83.29 nm at y=0.05. Four probe technique is used to measure Tc. The highest Tc and oxygen content were found to be Tc=132 K for y=0.05 after that, Tc decreases from 132 K to 115 K with increasing Zn. In addition, dielectric properties (dielectric constant, dielectric loss factor, and the alternating electrical conductivity) are characterized directly by relating with Zn concentration.

Influence of electron correlation on the cross section and linear polarization of radiation emitted by electron-impact excitation of Ca+ and Ba+ ions

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin

2018-04-01

Calculations of the electron-impact excitation (EIE) of singly charged Ca+ and Ba+ ions and subsequent de-excitation process are performed using a fully relativistic distorted wave (RDW) method. To resolve the discrepancy between previous theory and experiment, careful consideration is given to the generation of the target state wave-functions through the systematic inclusion of electron correlations. It is found that the electron correlation effects play a significant role on the cross section, while the effects on the linear polarization of the emitted radiation are relatively small. Good agreement between our result and experiment is obtained.

Reduced anti-ferromagnetism promoted by Zn 3d 10 substitution at CuO 2 planar sites of Cu 0.5Tl 0.5Ba 2Ca 3Cu 4O 12-δ superconductors

NASA Astrophysics Data System (ADS)

Mumtaz, M.; Khan, Nawazish A.

2009-11-01

The role of charge carriers in ZnO 2/CuO 2 planes of Cu 0.5Tl 0.5Ba 2Ca 3Cu 4-yZn yO 12-δ material in bringing about superconductivity has been explained. Due to suppression of anti-ferromagnetic order with Zn 3d 10 ( S=0) substitution at Cu 3d 9(S={1}/{2}) sites in the inner CuO 2 planes of Cu 0.5Tl 0.5Ba 2Ca 3Cu 4O 12-δ superconductor, the distribution of charge carriers becomes homogeneous and optimum, which is evident from the enhanced superconductivity parameters. The decreased c-axis length with the increase of Zn doping improves interlayer coupling and hence the three dimensional (3D) conductivity in the unit cell is enhanced. Also the softening of phonon modes with the increased Zn doping indicates that the electron-phonon interaction has an essential role in the mechanism of high- Tc superconductivity in these compounds.

Pressure-induced photoluminescence in Mn2+-doped BaF2 and SrF2 fluorites

NASA Astrophysics Data System (ADS)

Hernández, Ignacio; Rodríguez, Fernando

2003-01-01

This work reports an effective way for inducing room temperature photoluminescence (PL) in Mn2+-doped BaF2 and SrF2 using high-pressure techniques. The aim is to understand the surprising PL behavior exhibited by Mn2+ at the cubal site of the fluorite structure. While Mn2+-doped CaF2 shows a green PL with quantum yield close to 1 at room temperature, Mn2+-doped MF2 (M=Ba,Sr) is not PL either at room temperature (SrF2) or at any temperature (BaF2) at ambient pressure. We associate the loss of Mn2+ PL on passing from CaF2 to SrF2 or BaF2 with nonradiative multiphonon relaxation whose thermal activation energy decreases along the series CaF2→SrF2→BaF2. A salient feature of this work deals with the increase of activation energy induced by pressure. It leads to a quantum yield enhancement, which favors PL recovery. Furthermore, the activation energy mainly depends on the crystal volume per molecule irrespective of the crystal structure or the local symmetry around the impurity. In this way, the relevance of the fluorite-to-cotunnite phase transition is analyzed in connection with the PL properties of the investigated compounds. The PL spectrum and the corresponding lifetime are reported for both structural phases as a function of pressure.

Defect Structures of La1 - y Sr y F3 - y , La1 - y Ba y F3 - y , and Nd1 - y Ca y F3 - y ( y = 0.05, 0.10) Nonstoichiometric Tysonite Phases

NASA Astrophysics Data System (ADS)

Chernaya, T. S.; Verin, I. A.; Khrykina, O. N.; Bolotina, N. B.

2018-01-01

Characteristic features of defect structures of La1 - y Sr y F3 - y , La1 - y Ba y F3 - y , and Nd1 - y Ca y F3 - y ( y = 0.05, 0.10) nonstoichiometric phases of different compositions are determined from X-ray diffraction data. Interest in subtle details of their structure is determined by the possibility of ion transport over fluorine vacancies and by a strong compositional dependence of the ionic conductivity. The La0.95Sr0.05F2.95, La0.95Ba0.05F2.95, and Nd0.95Ca0.05F2.95 phases, as well as the La0.9Ba0.1F2.9 phase, crystallize as β-LaF3 (sp. gr. P3̅c1, Z = 6). The La0.9Sr0.1F2.9 and Nd0.9Ca0.1F2.9 phases lose their superstructure and are described by a cell whose volume is three times smaller (sp. gr. P63/ mmc, Z = 2). Defects of crystal structure R1 - y M y F3 - y are not exhausted by vacancies in fluorine positions. All crystals with a "large" cell are twinned according to the merohedral twin law. The majority of atomic positions in models with a "small" cell are split by group symmetry elements and are occupied statistically.

Fluctuation-induced conductivity analyses of Be-doped (Bi0.25Cu0.25Li0.25Tl0.25)Ba2Ca2Cu3O10-δ superconductors in the critical regime and beyond

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Qurat-ul-Ain; Firdous, Umber; Shaheryar

2012-02-01

We have successfully synthesized (Bi0.25Cu0.25Li0.25Tl0.25)Ba2Ca2Cu3O10-δ and (Bi0.25Cu0.25Li0.25Tl0.25)Ba2(Ca1.5Be0.5)Cu3O10-δ samples and studied their excess conductivity analyses (fluctuation-induced conductivity) of resistivity data. The main objective of such analyses is to investigate the influence of Be-substitution on the superconductivity parameters at the microscopic level. The width of the 3D-2D Lawrence-Doniach regime is increased with the doping of Be at the Ca sites. The energy required to break apart the Cooper pairs is increased from 0.03 eV to 0.08 eV in Be-doped samples. Using the Ginzburg-Landau number (NG) and GL equations, the thermodynamic critical magnetic field Bc(0), the lower critical field Bc1(0), the upper critical field Bc2(0), the critical current density Jc(0), and penetration depth λp.d are also calculated from these analyses. The values of critical fields [Bc(0) Bc1(0)], Jc(0), and phase relaxation time τϕ are increased whereas the penetration depth λp.d and κ values are suppressed with Be-doping. It is most likely that as a result of the enhancement in the density of the carriers in the (Bi0.25Cu0.25Li0.25Tl0.25)Ba2(Ca1.5Be0.5)Cu3O10-δ sample, this charge density gap is suppressed, which in turn suppresses the pseudo-gap resulting into enhancement of Bc (0), Bc1(0), and Jc(0).

Inclusions of crichtonite-group minerals in Cr-pyropes from the Internatsionalnaya kimberlite pipe, Siberian Craton: Crystal chemistry, parageneses and relationships to mantle metasomatism

NASA Astrophysics Data System (ADS)

Rezvukhin, Dmitriy I.; Malkovets, Vladimir G.; Sharygin, Igor S.; Tretiakova, Irina G.; Griffin, William L.; O'Reilly, Suzanne Y.

2018-05-01

Cr-pyrope xenocrysts and associated inclusions of crichtonite-group minerals from the Internatsionalnaya kimberlite pipe were studied to provide new insights into processes in the lithospheric mantle beneath the Mirny kimberlite field, Siberian craton. Pyropes are predominantly of lherzolitic paragenesis (Cr2O3 2-6 wt%) and have trace-element spectra typical for garnets from fertile mantle (gradual increase in chondrite-normalized values from LREE to MREE-HREE). Crichtonite-group minerals commonly occur as monomineralic elongated inclusions, mostly in association with rutile, Mg-ilmenite and Cr-spinel within individual grains of pyrope. Sample INT-266 hosts intergrowth of crichtonite-group mineral and Cl-apatite, while sample INT-324 contains polymineralic apatite- and dolomite-bearing assemblages. Crichtonite-group minerals are Al-rich (1.1-4.5 wt% Al2O3), moderately Zr-enriched (1.3-4.3 wt% ZrO2), and are Ca-, Sr-, and occasionally Ba-dominant in terms of A-site occupancy; they also contain significant amounts of Na and LREE. T-estimates and chemical composition of Cr-pyropes imply that samples represent relatively low-T peridotite assemblages with ambient T ranging from 720 to 820°С. Projected onto the 35 mW/m2 cratonic paleogeotherm for the Mirny kimberlite field (Griffin et al., 1999b. Tectonophysics 310, 1-35), temperature estimates yield a P range of 34-42 kbar ( 110-130 km), which corresponds to a mantle domain in the uppermost part of the diamond stability field. The presence of crichtonite-group minerals in Cr-pyropes has petrological and geochemical implications as evidence for metasomatic enrichment of some incompatible elements in the lithospheric mantle beneath the Mirny kimberlite field. The genesis of Cr-pyropes with inclusions of crichtonite-group minerals is attributed to the percolation of Ca-Sr-Na-LREE-Zr-bearing carbonate-silicate metasomatic agents through Mg- and Cr-rich depleted peridotite protoliths. The findings of several potentially

Cr Isotopes in Allende Ca-Al-rich Inclusions

NASA Technical Reports Server (NTRS)

Bogdanovski, O.; Papanastassiou, D. A.; Wasserburg, G. J.

2002-01-01

We have determined Cr isotope compositions in minerals from Allende CAI in order to address the initial 53Mn (half-life 3.7 Ma) abundance in the solar system. Additional information is contained in the original extended abstract.

Precursor preparation for Ca-Al layered double hydroxide to remove hexavalent chromium coexisting with calcium and magnesium chlorides

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

Zhong, Lihua; He, Xiaoman; Qu, Jun

Al(OH){sub 3} and Ca(OH){sub 2} powders are co-ground to prepare a precursor which hydrates into a layered double hydroxide (LDH) phase by agitation in aqueous solution with target hexavalent chromium (Cr(VI)) at room temperature, to achieve an obvious improvement in removal efficiency of Cr(VI) through an easy incorporation into the structure. Although the prepared precursor transforms into LDH phases also when agitated in the solutions of calcium and magnesium chlorides, it incorporates Cr(VI) preferentially to the chloride salts when they coexist. The adsorption isotherm and kinetic studies show that the phenomena occurring on the Al-Ca precursor fit a pseudo-second-order kineticsmore » with a Langmuir adsorption capacity of 59.45 mg/g. Besides, characterizations of the prepared precursor and the samples after adsorption are also performed by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Transmission electron microscope (TEM) to understand the reason of the preferential incorporation of Cr(VI) to the coexisting chloride salts during the LDH phase formation. - Graphical abstract: Activated Ca-Al hydroxides (C{sub 3}A) transformed into Ca-Al-OH compound when agitated in water. Ca-Al precursor (C{sub 3}A) was agitated in a hexavalent chromium (Cr(VI)) solution to form Al-Ca-CrO{sub 4} LDH product. Ca-Al-CrO{sub 4} LDH phase occurred preferentially to Ca-Al-MCl{sub 2} LDH phases in the solutions of calcium and magnesium chlorides, it incorporates Cr(VI) preferentially to the chloride salts when they coexist. - Highlights: • Activated Ca-Al hydroxides transformed into LDH when agitated in water with some inorganic substances. • Hexavalent Cr was incorporated in the LDH structure at high adsorption capacity. • Ca-Al-Cr LDH phase occurred preferentially to Ca-Al-MCl{sub 2} LDH phases with coexistence. • The prepared Ca-Al hydroxides had high performance as adsorbent even with high salinity of the solution.« less

First-Principles Prediction of Two-Dimensional Electron Gas Driven by Polarization Discontinuity in Nonpolar/Nonpolar AHfO3/SrTiO3 (A=Ca, Sr, and Ba) Heterostructures

NASA Astrophysics Data System (ADS)

Cheng, Jianli; Nazir, Safdar; Yang, Kesong

By using first-principles electronic structure calculations, we explored the possibility of producing two-dimensional electron gas (2DEG) in nonpolar/nonpolar AHfO3/SrTiO3 (A = Ca, Sr, and Ba) heterostructures (HS). Two types of interfaces, AO/TiO2 and HfO2/SrO, each with AO and HfO2 surface terminations, are modeled, respectively. The polarization domain and resulting interfacial electronic property are found to be more sensitive to the surface termination of the film rather than the interface model. As film thickness increases, an insulator-to-metal transition (IMT) is found in all the HS with HfO2 surface termination: for AO/TiO2 interfaces, predicted critical film thickness for an IMT is about 7, 6, and 3 unit cells for CaHfO3/SrTiO3, SrHfO3/SrTiO3, and BaHfO3/SrTiO3, respectively; for HfO2/SrO interfaces, the critical film thickness is about 7.5, 5.5, and 4.5 unit cells, respectively. In contrast, for the HS with AO surface termination, only CaHfO3/SrTiO3 exhibits an IMT with a much larger critical film thickness about 11 - 12 unit cells. This work is expected to stimulate further experimental investigation to the interfacial conductivity in the nonpolar/nonpolar AHfO3/SrTiO3 HS. National Science Foundation and Department of Defense National Security Science and Engineering Faculty Fellowship.

Porous Ba0.85Ca0.15Zr0.1Ti0.9O3 Ceramics for Pyroelectric Applications

NASA Astrophysics Data System (ADS)

Sharma, Moolchand; Singh, V. P.; Singh, Shatrughan; Azad, Puneet; Ilahi, Bouraoui; Madhar, Niyaz Ahamad

2018-05-01

Porous Ba0.85Ca0.15Zr0.1Ti0.9O3 (BCZT) ferroelectric ceramics were fabricated using a solid-state reaction consisting of BCZT and poly(methyl methacrylate)(PMMA) (2%, 4%, 8% and 10% by wt.%) as a pore former. By increasing the PMMA content from 0% to 10%, porosity increased from 8% to 29%. It was found that the dielectric constant (ɛ r ) decreased and the dielectric loss (tanδ) increased with increasing porosity. At 29% porosity, ɛ r of the BCZT was found to decrease more, from 3481 to 1117 at 5 kHz and at room temperature. The dielectric constant and volume-specific heat capacity decreased with the increase in porosity which ultimately improved the pyroelectric figure-of-merits (FOMs). Further, the pyroelectric FOMs were estimated and found to be improved at optimum porosity.

Lunar highland rocks - Element partitioning among minerals. II - Electron microprobe analyses of Al, P, Ca, Ti, Cr, Mn and Fe in olivine

NASA Technical Reports Server (NTRS)

Smith, J. V.; Hansen, E. C.; Steele, I. M.

1980-01-01

Lunar olivines from anorthosites, granulitic impactites, and rocks in the Mg-rich plutonic trend were subjected to electron probe measurements for Al, P, Ca, Ti, Cr and Mn, which show that the FeO/MnO ratio for lunar olivines lies between 80 and 110 with little difference among the rock types. The low values of Ca in lunar olivines indicate slow cooling to subsolidus temperatures, with blocking temperatures of about 750 C for 67667 and 1000 C for 60255,73-alpha determined by the Finnerty and Boyd (1978) experiments. An important paradox is noted in the low Ti content of Fe-rich olivines from anorthosites, although both Ti and Fe tend to become enriched in liquid during fractional distillation. Except for Ca and Mn, olivine from anorthosites has lower minor element values than other rock types. Formation from a chemically distinct system is therefore implied.

The effect of oxidant on resputtering of Bi from Bi-Sr-Ca-Cu-O films

NASA Astrophysics Data System (ADS)

Grace, J. M.; McDonald, D. B.; Reiten, M. T.; Olson, J.; Kampwirth, R. T.; Gray, K. E.

1991-09-01

The type and partial pressure of oxidant mixed with argon can affect the selective resputtering of Bi in composite-target, magnetron-sputtered Bi-Sr-Ca-Cu-O films. Comparative studies using oxygen and ozone show that ozone is a more potent oxidant, as well as a more potent source of resputterers, than is oxygen. Severe resputtering from ozone is significantly reduced by a -40 V potential on the sample block. We suggest that oxygen causes resputtering by forming O2(+)p , which interacts with the target to produce energetic O(-). In contrast, ozone may form lower-energy O(-) by electron impact in the dark space. Negative oxygen ions from the target itself may be responsible for a background resputtering effect. Our results and those found for Y-Ba-Cu-O by others are comparable. Bi in Bi-Sr-Ca-Cu-O behaves as Ba in Y-Ba-Cu-O, with regard to selective resputtering; furthermore, the response of Sr, Ca, and Cu to oxygen in sputtered Bi-Sr-Ca-Cu-O is similar to what is observed for Cu in Y-Ba-Cu-O.

Removal of Cr(VI) from groundwater by Fe(0)

NASA Astrophysics Data System (ADS)

Gao, Yanjiao; Liu, Rui

2017-11-01

This research was conducted to investigate the treatment of hexavalent chromium (Cr(VI)) by iron powder (Fe(0)) columns of simulated permeable reactive barriers with and without calcium carbonate (CaCO3). Two columns filled with Fe(0) were used as Cr(VI) removal equipment running at a flow velocity of 10 ml/min at room temperature. After 200 days running of the two columns, the results showed that Fe(0) was an effective material for Cr(VI) reduction with an average removal rate of above 84.6%. The performance of Column 2 with CaCO3 was better than Column 1 without CaCO3 in terms of average Cr(VI) removal rate. The presence of CaCO3 buffered the increasing pH caused by Fe(0) corrosion in Column 2 and enhanced the removal rate of Column 2. Scanning Electron Microscopy (SEM) images of Fe(0) in the three stages of running of the two columns illustrated that the coat layer of Column 1 was a little thicker than that of Column 2. Energy-dispersive spectrometry (EDS) results showed that the surface of Fe(0) of Column 2 contained more chromium elements. Raman spectroscopy found that all iron oxide was generated on the Fe(0) surface of Column 1 and Column 2 and chromium class objects were only detected on Fe(0) surface in Column 2.

First principles predictions of electronic and elastic properties of BaPb2As2 in the ThCr2Si2-type structure

NASA Astrophysics Data System (ADS)

Bourourou, Y.; Amari, S.; Yahiaoui, I. E.; Bouhafs, B.

2018-01-01

A first-principles approach is used to predicts the electronic and elastic properties of BaPb2As2 superconductor compound, using full-potential linearized augmented plane wave plus local orbitals (FP-L/APW+lo) scheme within the local density approximation LDA. The calculated equilibrium structural parameter a agree well with the experiment while the c/a ratio is far away from the experimental result. The band structure, density of states, together with the charge density and chemical bonding are discussed. The calculated elastic constants for our compound indicate that it is mechanically stable at ambient pressure. Polycrystalline elastic moduli (Young's, Bulk, shear Modulus and the Poisson's ratio) were calculated according to the Voigte-Reusse-Hill (VRH) average.

The phases and magnetic properties of (Ti, Co), and Cr doped Zn 2Y-type hexagonal ferrite

NASA Astrophysics Data System (ADS)

Chang, Y. H.; Wang, C. C.; Chin, T. S.; Yen, F. S.

1988-04-01

The phases and magnetic properties of Y-type hexagonal ferrite, Ba 2Zn 2 (Ti, Co) yFe 12-2 yO 22 doped with two sets of ions, (Ti, Co) and Cr were studied. In (Ti, Co) - doped ferrites the second phase appears at y ⩾ 0.6, which is a spinel type with the formula of (Zn 1-ηCo η)(Fe 2-δCo δ)O 4. Two resonant peaks are observed in ESR studies at the fields of 1020 and 2430 Oe, respectively, at a frequency of 9.684 GHz. The linewidth increases with the addition of the dopants. In chromium doped ferrite, two phases are identified as the amount of chromium is up to 0.2: spinel type of Zn(Fe 2-ɛCr ɛ)O 4 and orthorhombic BaCr 2O 4. Although the amount of Cr used does not influence the resonant field of the unique peak of the derivative curves from ESR, it eventually enlarges the linewidth.

Dielectric Properties of Ca0.7Bi0.3Ti0.7Cr0.3O3 (CBTC)-CaCu3Ti4O12 (CCTO) Composite

NASA Astrophysics Data System (ADS)

Mallmann, E. J. J.; Silva, M. A. S.; Sombra, A. S. B.; Botelho, M. A.; Mazzetto, S. E.; de Menezes, A. S.; Almeida, A. F. L.; Fechine, P. B. A.

2015-01-01

The main object of this work is to study two materials with giant dielectric constants: CaCu3Ti4O12 (CCTO) and Ca0.7Bi0.3Ti0.7Cr0.3O3 (CBTC). CBTC1- x -CCTO x composites were also obtained to create a new dielectric material with dielectric properties between these two phases. Structural properties were studied by x-ray powder diffraction (XRPD), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy and dielectric measurements. CCTO showed a cubic phase and CBTC an orthorhombic phase. An interesting result was that the dielectric constant ( K) did not follow the rule of the mixture of Lichtnecker, and this happened due to the presence of other phases of its crystalline structure, which decreases the value of K when compared to the predicted values of Lichtnecker. It was also found that the dielectric properties of the composite are very promising for use in microelectronics, according to the miniaturization factor, which is crucial for those applications.

Theoretical evaluation of a continues-wave Ho3+:BaY2F8 laser with mid-infrared emission

NASA Astrophysics Data System (ADS)

Rong, Kepeng; Cai, He; An, Guofei; Han, Juhong; Yu, Hang; Wang, Shunyan; Yu, Qiang; Wu, Peng; Zhang, Wei; Wang, Hongyuan; Wang, You

2018-01-01

In this paper, we build a theoretical model to study a continues-wave (CW) Ho3+:BaY2F8 laser by considering both energy transfer up-conversion (ETU) and cross relaxation (CR) processes. The influences of the pump power, reflectance of an output coupler (OC), and crystal length on the output features are systematically analyzed for an end-pumped configuration, respectively. We also investigate how the processes of ETU and CR in the energy-level system affect the output of a Ho3+:BaY2F8 laser by use of the kinetic evaluation. The simulation results show that the optical-to-optical efficiency can be promoted by adjusting the parameters such as the reflectance of an output coupler, crystal length, and pump power. It has been theoretically demonstrated that the threshold of a Ho3+:BaY2F8 laser is very high for the lasing operation in a CW mode.

Isotopically distinct reservoirs in the solar nebula: Isotope anomalies in Vigarano meteorite inclusions

NASA Technical Reports Server (NTRS)

Loss, R. D.; Lugmair, G. W.; Davis, A. M.; Macpherson, G. J.

1994-01-01

The isotopic compositions of Mg, Ca, Ti, Cr, Zn, Sr, Ba, Nd, and Sm were measured in four relatively unaltered refractory inclusions from the Vigarano carbonaceous chondrite meteorite. Three of the inclusions (USNM 1623-2, 1623-3, and 1623-8) show similar Mg, Ca, Ti, and Cr isotopic compositions to those found in most inclusions in the Allende carbonaceous chondrite. This indicates that these Vigarano inclusions sampled the same isotopic reservoirs as the majority of the Allende inclusions that isotope signatures in the latter were not significantly modified by the secondary alteration that permeates most Allende inclusions. In contrast, inclusion 1623-5 has large deficits in Mg-26, Ca-48, and Ti-50 and small but distinct Cr-54, Zn-66, Sr-84, Ba-135, Ba-137, and Sm-144 anomalies. The magnitudes of these unusual anomalies in the refractory elements are within analytical uncertainty of those found in the Allende 'FUN" inclusion C1, yet 1623-5 has a very different bulk chemical composition from C1. The fact that 1623-5 and C1 have identical isotopic anomalies yet have significantly distinct major and trace element contents provide convincing evidence for the presence of isotopically distinct reservoirs in the early solar system.

Platelet aggregation caused by Carybdea rastonii toxins (CrTX-I, II and III) obtained from a jellyfish, Carybdea rastonii.

PubMed

Azuma, H; Sekizaki, S; Satoh, A; Nakajima, T

1986-05-01

The pharmacological mechanisms of platelet aggregation induced by highly toxic proteins (CrTX-I, CrTX-II, and CrTX-III) obtained from tentacles of a jellyfish, Carybdea rastonii, were investigated. When the partially purified toxin (pCrTX) and CrTXs were added to the citrated platelet-rich plasma (PRP), aggregation was produced in a concentration-dependent manner. The activity of CrTXs was approximately 100 times more potent than pCrTX. The CrTXs-induced aggregation was little affected by indomethacin and quinacrine at concentrations sufficient to inhibit arachidonic acid- and collagen-induced aggregation. The CrTXs-induced aggregation in washed platelets was significantly augmented in the presence of Ca2+. The pretreatment with verapamil failed to modify this augmentation of aggregation. The concentration of cytoplasmic-free calcium ([Ca2+]i) of platelets was increased by CrTXs at the same concentrations that produced aggregation. This effect of CrTXs was again little affected by verapamil. CrTXs at the same concentrations as those that produced aggregation and increased [Ca2+]i caused depolarization of platelets, which was unchanged after pretreatment with sodium or potassium transport inhibitors. CrTX-I significantly increased the 22Na flux into platelets and this effect of CrTX-I was unaffected by tetrodotoxin. The CrTX-I-induced aggregation, depolarization, and increase in [Ca2+]i were all significantly attenuated in the low Na+ medium. These results suggest that CrTXs cause a massive depolarization by increasing cation permeability and this generalized depolarization permits an inward movement of Ca2+ down its electrochemical gradient which, in turn, triggers platelet aggregation.

Dielectric and piezoelectric properties of lead-free Ba0.85Ca0.15Ti0.9-xZr0.1CuxO3 ceramics synthesized by a hydrothermal method

NASA Astrophysics Data System (ADS)

Hunpratub, Sitchai; Phokha, Sumalin; Maensiri, Santi; Chindaprasirt, Prinya

2016-04-01

Ba0.85Ca0.15Ti0.9Zr0.1-xCuxO3 (BCTZC) nanopowders were synthesized using a hydrothermal method after which they were pressed into discs and sintered in air at 1300 °C for 3 h to form ceramic samples. The phase and microstructure of the powder and ceramic samples were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The XRD results indicated that the ceramic samples exhibited a tetragonal structure and that CuO, BaZrO3 or CaTiO3 impurity phases, which had been present in the powder samples, were not observed. The average grain sizes in the ceramic samples were found to be 17.0, 16.1, 20.0, 18.1 and 19.6 μm for Cu mole fractions x of 0.002, 0.004, 0.006, 0.008 and 0.01, respectively. The dielectric constants, ferroelectric hysteresis loops and piezoelectric charge coefficients of the BCZTC ceramic samples were also investigated. Optimum values for the relative dielectric constant (ɛ‧), tan δ and piezoelectric charge coefficient (d33) of the samples were 3830, 0.03 and 306 pC/N, respectively, in the Cu mole fraction samples with x = 0.002.

Significant increase of Curie temperature and large piezoelectric coefficient in Ba(Ti0.80Zr0.20)O3-0.5(Ba0.70Ca0.30)TiO3 nanofibers

NASA Astrophysics Data System (ADS)

Fu, Bi; Yang, Yaodong; Gao, Kun; Wang, Yaping

2015-07-01

Ba(Ti0.80Zr0.20)O3-0.5(Ba0.7Ca0.3)TiO3 (abbreviated as BTZ-0.5BCT) is a piezoelectric ceramic with a high piezoelectric coefficient d33 (˜620 pC N-1) and has been regarded as one of the most promising candidates to replace PZT-based materials (200-710 pC N-1). However, its Curie temperature TC is relatively low (93 °C) limiting its application. In this letter, we found a temperature dependent Raman spectrum in BTZ-0.5BCT nanofibers (NFs), demonstrating a diffused tetragonal-to-cubic phase transition at 300 °C. This means that the TC of the NFs is nearly 207 °C higher than that of the normal bulk material. The increased TC is considered to be associated with the size effect of BTZ-0.5BCT nanoceramic subunits and the nanoporous nature of the fiber, resulting in discontinuous physical properties. The variation of the ferro/piezoelectricity over the fiber surface is attributed to the polycrystalline structure. The d33 (173.32 pm V-1) is improved in terms of the decreased Q factor result in an increase in d33 of 236.54 pm V-1 after polarization. With a high TC and a very large d33, BTZ-0.5BCT NFs are capable of providing electromechanical behavior used in moderate temperatures.

Hysteretic Characteristics of Pulsed Laser Deposited 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3/ZnO Bilayers.

PubMed

Silva, J P B; Wang, J; Koster, G; Rijnders, G; Negrea, R F; Ghica, C; Sekhar, K C; Moreira, J Agostinho; Gomes, M J M

2018-05-02

In the present work, we study the hysteretic behavior in the electric-field-dependent capacitance and the current characteristics of 0.5Ba(Zr 0.2 Ti 0.8 )O 3 -0.5(Ba 0.7 Ca 0.3 )TiO 3 (BCZT)/ZnO bilayers deposited on 0.7 wt % Nb-doped (001)-SrTiO 3 (Nb:STO) substrates in a metal-ferroelectric-semiconductor (MFS) configuration. The X-ray diffraction measurements show that the BCZT and ZnO layers are highly oriented along the c-axis and have a single perovskite and wurtzite phases, respectively, whereas high-resolution transmission electron microscopy revealed very sharp Nb:STO/BCZT/ZnO interfaces. The capacitance-electric field ( C- E) characteristics of the bilayers exhibit a memory window of 47 kV/cm and a capacitance decrease of 22%, at a negative bias. The later result is explained by the formation of a depletion region in the ZnO layer. Moreover, an unusual resistive switching (RS) behavior is observed in the BCZT films, where the RS ratio can be 500 times enhanced in the BCZT/ZnO bilayers. The RS enhancement can be understood by the barrier potential profile modulation at the depletion region, in the BCZT/ZnO junction, via ferroelectric polarization switching of the BCZT layer. This work builds a bridge between the hysteretic behavior observed either in the C- E and current-electric field characteristics on a MFS structure.

Mott insulator-to-metal transition in yttrium-doped CaIrO₃.

PubMed

Gunasekera, J; Chen, Y; Kremenak, J W; Miceli, P F; Singh, D K

2015-02-11

We report on the study of insulator-to-metal transition in post-perovskite compound CaIrO3. It is discovered that a gradual chemical substitution of calcium by yttrium leads to the onset of strong metallic behavior in this compound. This observation is in stark contrast to BaIrO3, which preserves its Mott insulating behavior despite excess of the charge carriers due to yttrium doping. Magnetic measurements reveal that both compounds tend to exhibit magnetic character irrespective of the chemical substitution of Ca or Ba. We analyze these unusual observations in light of recent researches that suggest that CaIrO3 does not necessarily possess j = 1/2 ground state due to structural distortion. The insulator-to-metal transition in CaIrO3 will spur new researches to explore more exotic ground state, including superconductivity, in post-perovskite Mott insulators.

Determining baseline element composition of lichens. I. Parmelia sulcata at Theodore Roosevelt national park, North Dakota

USGS Publications Warehouse

Gough, L.P.; Severson, R.C.; Jackson, L.L.

1988-01-01

Element-concentration baselines are given for Parmelia sulcata and associated soils. Parmelia chlorochroa was found sporadically and therefore only representative concentration ranges are reported for this species. Element data include (1) for lichens; Al, As, Ba, B, Ca, Cr, Cu, Fe, Hg, Mn, Ni, P, Sr, S, Ti, V, Y, and Zn; and (2) for soils: Al, Ba, Be, Ca, Cs, Cr, Cu, Fe, Hg, Mg, Mn, Ni, Nb, P, Pb, Sr, S, Ti, V, Y, and Zn. Very little (usually 7.2 km); thus, P sulcata is, in general, chemically similar throughout the park. This same uniformity was found for soil geochemistry. Numerous samples collected at close intervals would be required, therefore, to produce detailed element-concentration maps for P. sulcata and soils. No instances of elemental phytotoxic conditions were found; however, P. sulcata apparently possesses large concentrations of Ba, Cu, Fe, Pb, S, V, and possibly Zn.

Structural and dielectric properties of A(Fe{sub 1/2}Ta{sub 1/2})O{sub 3} [A = Ba, Sr, Ca

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

Dutta, Alo; Sinha, T.P., E-mail: sinha_tp@yahoo.com

2011-04-15

Graphical abstract: FTIR spectra of BFT, SFT and CFT at room temperature. Research highlights: {yields} The structural and dielectric properties of BaFe{sub 1/2}Ta{sub 1/2}O{sub 3}, SrFe{sub 1/2}Ta{sub 1/2}O{sub 3} and CaFe{sub 1/2}Ta{sub 1/2}O{sub 3}. {yields} Fourier transform infrared spectra show two primary phonon modes of the samples at around 450 cm{sup -1} and 620 cm{sup -1}. {yields} The compounds show significant frequency dispersion in its dielectric properties. {yields} The relaxation mechanism of the samples is modelled by Cole-Cole equation. -- Abstract: The complex perovskite oxide barium iron tantalate (BFT), BaFe{sub 1/2}Ta{sub 1/2}O{sub 3}, strontium iron tantalate (SFT), SrFe{sub 1/2}Ta{sub 1/2}O{submore » 3} and calcium iron tantalate (CFT), CaFe{sub 1/2}Ta{sub 1/2}O{sub 3} are synthesized by a solid-state reaction technique. Rietveld refinement of the X-ray diffraction data of the samples shows that BFT and SFT crystallize in cubic structure, with lattice parameter a = 4.06 A for BFT and 3.959 A for SFT, whereas CFT crystallizes in orthorhombic structure having lattice parameters a = 5.443 A, b = 5.542 A and c = 7.757 A. Fourier transform infrared spectra show two primary phonon modes of the samples at around 450 cm{sup -1} and 620 cm{sup -1}. The compounds show significant frequency dispersion in its dielectric properties. The complex impedance plane plots of the samples show that the relaxation (conduction) mechanism in these materials is purely a bulk effect arising from the semiconductive grains. The relaxation mechanism of the samples is modelled by Cole-Cole equation. The frequency dependent conductivity spectra are found to follow the power law.« less

Structure and function of CrACA1, the major PM-type Ca2+-ATPase, expressed at the peak of the gravity-directed trans-cell calcium current in spores of the fern Ceratopteris richardii.

PubMed

Bushart, T J; Cannon, A; Clark, G; Roux, S J

2014-01-01

Spores of the fern Ceratopteris richardii have proven to be a valuable single-cell system for studying gravity responses. The earliest cellular change directed by gravity in these cells is a trans-cell calcium current, which peaks near 10 h after the spores are induced to germinate. This current is needed for gravity-directed axis alignment, and its peak is coincident with the time period when gravity polarises the direction of subsequent nuclear migration and rhizoid growth. Transcriptomic analysis of genes expressed at the 10-h time point revealed several that encode proteins likely to be key components that either drive the current or regulate it. Notable among these is a plasma membrane (PM)-type Ca(2+) ATPase, CrACA1, whose activity pumping Ca(2+) out of cells is regulated by gravity. This report provides an initial characterisation of the structure and expression of this protein, and demonstrates its heterologous function complementing the K616 mutant of yeast, which is deficient in PM-type Ca(2+) pump activity. Gravity-induced changes in the trans-cell Ca(2+) current occur within seconds, a result consistent with the hypothesis that the force of gravity can rapidly alter the post-translational state of the channels and pumps that drive this current across spore cells. This report identifies a transporter likely to be a key driver of the current, CrACA1, and characterises the role of this protein in early germination and gravity-driven polarity fixation through analysis of expression levels, functional complementation and pharmacological treatments. These data, along with newly available transcriptomic data obtained at the 10-h time point, indicate that CrACA1 is present, functional and likely a major contributing component of the trans-cell Ca(2+) efflux. CrACA1 is not necessary for polar axis alignment, but pharmacological perturbations of it disrupt rhizoid development. These data support and help refine the post-translational modification model for

Reactive Atmosphere Processing of BaTiO(3) and Origins of Its Photorefractive Effect

DTIC Science & Technology

1989-04-01

BaTiO3 structure. Dickinson et al.10 prepared a series of compounds in which various amounts of primarily trivalent metals (Ti 3+ , V, Cr, Mn, Fe, Co...which was contained in a capillary tube mounted next to the BaTiO3 sample. The chromium sample was calibrated against a Varian 3.3x10-47 pitch on KCI...3 1 (13) where M is a trivalent metal ion and [V02+]I is the impurity- related concentration of oxygen vacancies. Note that the charge of the metal

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.

The path for long range conduction in high J(sub c) TlBa2Ca2Cu3O(8+x) spray-pyrolyzed deposits

NASA Astrophysics Data System (ADS)

Kroeger, D. M.; Goyal, A.; Specht, E. D.; Wang, Z. L.; Tkaczyk, J. E.; Sutliff, J. A.; Deluca, J. A.

Grain boundary misorientations and local texture in polycrystalline TlBa2Ca2Cu3O(8+x) deposits prepared by thallination of spray-pyrolyzed precursor deposits on yttria-stabilized zirconia have been determined from transmission electron microscopy, electron backscatter diffraction patterns, and x ray diffraction. The deposits were polycrystalline, had small grains, and excellent c-axis alignment. The deposits contained colonies of grains with similar but not identical a-axis orientations. Most grain boundaries within a colony have small misorientation angles and should not be weak links. It is proposed that long range current flow occurs through a percolative network of small angle grain boundaries at colony intersections.

Precursor preparation for Ca-Al layered double hydroxide to remove hexavalent chromium coexisting with calcium and magnesium chlorides

NASA Astrophysics Data System (ADS)

Zhong, Lihua; He, Xiaoman; Qu, Jun; Li, Xuewei; Lei, Zhiwu; Zhang, Qiwu; Liu, Xinzhong

2017-01-01

Al(OH)3 and Ca(OH)2 powders are co-ground to prepare a precursor which hydrates into a layered double hydroxide (LDH) phase by agitation in aqueous solution with target hexavalent chromium (Cr(VI)) at room temperature, to achieve an obvious improvement in removal efficiency of Cr(VI) through an easy incorporation into the structure. Although the prepared precursor transforms into LDH phases also when agitated in the solutions of calcium and magnesium chlorides, it incorporates Cr(VI) preferentially to the chloride salts when they coexist. The adsorption isotherm and kinetic studies show that the phenomena occurring on the Al-Ca precursor fit a pseudo-second-order kinetics with a Langmuir adsorption capacity of 59.45 mg/g. Besides, characterizations of the prepared precursor and the samples after adsorption are also performed by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Transmission electron microscope (TEM) to understand the reason of the preferential incorporation of Cr(VI) to the coexisting chloride salts during the LDH phase formation. Ca-Al precursor (C3A) was agitated in a hexavalent chromium (Cr(VI)) solution to form Al-Ca-CrO4 LDH product. Ca-Al-CrO4 LDH phase occurred preferentially to Ca-Al-MCl2 LDH phases in the solutions of calcium and magnesium chlorides, it incorporates Cr(VI) preferentially to the chloride salts when they coexist.

Improvement of critical current density in thallium-based (Tl,Bi)Sr(1.6)Ba(0.4)Ca2Cu3O(x) superconductors

NASA Technical Reports Server (NTRS)

Ren, Z. F.; Wang, C. A.; Wang, J. H.; Miller, D. J.; Goretta, K. C.

1995-01-01

Epitaxial (Tl,Bi)Sr(1.6)Ba(0.4)Ca2Cu3O(x) ((Tl,Bi)-1223) thin films on (100) single crystal LaAlO3 substrates were synthesized by a two-step procedure. Phase development, microstructure, and relationships between film and substrate were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Resistance versus temperature, zero-field-cooled and field cooled magnetization, and transport critical current density (J(sub c)) were measured. The zero-resistance temperature was 105-111 K. J(sub c) at 77 K and zero field was greater than 2 x 10(exp 6) A/sq cm. The films exhibited good flux pinning properties.

Mn-Cr dating of Fe- and Ca-rich olivine from 'quenched' and 'plutonic' angrite meteorites using Secondary Ion Mass Spectrometry

NASA Astrophysics Data System (ADS)

McKibbin, Seann J.; Ireland, Trevor R.; Amelin, Yuri; Holden, Peter

2015-05-01

Angrite meteorites are suitable for Mn-Cr relative dating (53Mn decays to 53Cr with a half life of 3.7 Myr) using Secondary Ion Mass Spectrometry (SIMS) because they contain olivine and kirschsteinite with very high 55Mn/52Cr ratios arising from very low Cr concentrations. Discrepant Mn-Cr and U-Pb time intervals between the extrusive or 'quenched' angrite D'Orbigny and some slowly cooled or 'plutonic' angrites suggests that some have been affected by secondary disturbances, but this seems to have occurred in quenched rather than in slow-cooled plutonic angrites, where such disturbance or delay of isotopic closure might be expected. Using SIMS, we investigate the Mn-Cr systematics of quenched angrites to higher precision than previously achieved by this method and extend our investigation to non-quenched (plutonic or sub-volcanic) angrites. High values of 3.54 (±0.18) × 10-6 and 3.40 (±0.19) × 10-6 (2-sigma) are found for the initial 53Mn/55Mn of the quenched angrites D'Orbigny and Sahara 99555, which are preserved by Cr-poor olivine and kirschsteinite. The previously reported initial 53Mn/55Mn value of D'Orbigny obtained from bulk-rock and mineral separates is slightly lower and was probably controlled by Cr-rich olivine. Results can be interpreted in terms of the diffusivity of Cr in this mineral. Very low Cr concentrations in Ca-rich olivine and kirschsteinite are probably charge balanced by Al; this substitutes for Si and likely diffuses at a very slow rate because Si is the slowest-diffusing cation in olivine. Diffusion in Cr-rich Mg-Fe olivine is probably controlled by cation vacancies because of deficiency in charge-balancing Al and is therefore more prone to disturbance. The higher initial 53Mn/55Mn found by SIMS for extrusive angrites is more likely to reflect closure of Cr in kirschsteinite at the time of crystallisation, simultaneous with closure of U-Pb and Hf-W isotope systematics for these meteorites obtained from pyroxenes. For the younger

A brief review of Ba(Ti0.8Zr0.2)O3-(Ba0.7Ca0.3)TiO3 based lead-free piezoelectric ceramics: Past, present and future perspectives

NASA Astrophysics Data System (ADS)

Zhang, Yong; Sun, Huajun; Chen, Wen

2018-03-01

As one kind of most crucial and emerging lead-free piezoelectric systems, Ba(Ti0.8Zr0.2)O3-(Ba0.7Ca0.3)TiO3 (BCZT) based lead-free piezoceramics have attracted worldwide attention in recent years. Much progress has been made, however, a summary which covers both the recent progress and the remained problems is urgently needed to further push this field forward. In this review, a brief background of the development of BCZT based lead-free piezoceramics was illustrated firstly. Then, the internal mechanism for the high piezoelectric response would be elaborated. Current research status was discussed in detail in the third section. Various strategies including: (1) Using distinct synthesis routes, (2) adopting different sintering techniques, (3) doping with foreign ions and/or second components, (4) grain size control, were exploited to improve the comprehensive performance and in turn broaden their application areas. In this part, some recently representative works were touched in detail and several existing problems were pointed out. Last, some critical comments (some thoughts related to the potential and future development of BCZT system) were given based on the current research status and existing problems. All in all, this review is devoted to summarizing the milestones in the past, classifying selected recent works and analyzing the prospects of BCZT based ceramics. It can be expected that, this first review that concentrates on BCZT based ceramics obviously would provide useful guidance for the research community.

(Cu 0.5Tl 0.5)Ba 2Ca n-1 Cu n- yGe yO 2 n+4- δ ( n = 3, 4 and y = 0.5, 0.75, 1.0); superconductors with GeO 2 planes

NASA Astrophysics Data System (ADS)

Khan, Nawazish A.; Irfan, M.

2008-12-01

We have successfully synthesized germanium doped (Cu 0.5Tl 0.5)Ba 2Ca n-1 Cu n- yGe yO 2 n+4- δ ( n = 3, 4 and y = 0, 0.5, 0.75, 1.0) superconductors and investigated the effect of Ge doping on the superconducting properties of these compounds. The solubility of Ge till y = 1 in the CuO 2 planes of (Cu 0.5Tl 0.5)Ba 2Ca 2Cu 3- yGe yO 10- δ, have been found to give superconductivity above 77 K. To our surprise an enhanced superconductivity is observed with the doping of semiconductor germanium in some samples. The enhanced superconductivity associated with mixed CuO 2/GeO 2 planes can be extremely useful for the understanding of mechanism of superconductivity; since we very well know the properties of germanium based semiconductors.

Highly selective and sensitive colorimetric determination of Cr3 + ion by 4-amino-5-methyl-4H-1,2,4-triazole-3-thiol functionalized Au nanoparticles

NASA Astrophysics Data System (ADS)

Shahrivari, Shima; Faridbod, Farnoush; Ganjali, Mohammad Reza

2018-02-01

In this work, a rapid, selective naked eyes colorimetric chemical probe for the detection of Cr3 + was developed based on functionalization of gold nanoparticles. For this purpose, surface of Au NPs was functionalized using 4-amino-5-methyl-4H-1,2,4-triazole-3-thiol (AMTT). Through colorimetric studies, it was found that in the presence of Cr3 + ions, AMTT-Au NPs instantly aggregated and resulted in a color change of the solution from red to blue. The color change of AMTT-Au NPs due to the aggregation induced by Cr3 + can be seen with even naked eyes and also by UV-Vis spectroscopy with a detection limit of 1.8 μM and 0.1 μM, respectively. AMTT-Au NPs showed excellent selectivity toward Cr3 + compared to other cations tested, including K+, Na+, Cs+, Fe3 +, Ni2 +, Cu2 +, Co2 +, Zn2 +, Ba2 +, Ca2 +, Mg2 +, Cd2 +, Pb2 +, Hg2 + ions and especially all trivalent lanthanide ions. The absorbance ratio (A650/A525) was linear toward Cr3 + concentrations in the range of 0.6-6.1 μM (R2 = 0.996). The best response was achieved over a pH range of 3-5. Furthermore, the proposed colorimetric method based on AMTT-Au NPs was successfully used for Cr3 + ion detection in plasma sample and some water samples.

The unusual chemical bonding and thermoelectric properties of a new type Zintl phase compounds Ba3Al2As4

NASA Astrophysics Data System (ADS)

Yang, Gui; Zhang, Guangbiao; Wang, Chao; Wang, Yuanxu

2016-07-01

Ba3Al2As4 exhibits an unusual anisotropic electrical conductivity, that is, the electrical conductivity along the chain is smaller than those along other two directions. The results is conflict with previous conclusion for Ca5M2Pn6. Earlier studies on Ca5M2Pn6 showed that a higher electrical conductivity could be obtained along the chain. The band decomposed charge density is used to explain such unusual behavior. Our calculations indicate the existence of a conductive pathway near the Fermi level is responsible for the electrons transport. Further, the Ba-As bonding of Ba3Al2As4 has some degree covalency which is novel for the Zintl compounds.

Intracellular ca2+ stores could participate to abscisic acid-induced depolarization and stomatal closure in Arabidopsis thaliana

PubMed Central

Meimoun, Patrice; Vidal, Guillaume; Bohrer, Anne-Sophie; Lehner, Arnaud; Tran, Daniel; Briand, Joël; Bouteau, François

2009-01-01

In Arabidopsis thaliana cell suspension,abscisic acid (aBa) induces changes in cytosolic calcium concentration ([Ca2+]cyt) which are the trigger for aBa-induced plasma membrane anion current activation, H+-aTPase inhibition, and subsequent plasma membrane depolarization. In the present study, we took advantage of this model to analyze the implication of intracellular Ca2+ stores in aBa signal transduction through electrophysiological current measurements, cytosolic Ca2+ activity measurements with the apoaequorin Ca2+ reporter protein and external pH measurement. Intracellular Ca2+ stores involvement was determined by using specific inhibitors of CICR channels: the cADP-ribose/ryanodine receptor (Br-cADPR and dantrolene) and of the inositol trisphosphate receptor (U73122). In addition experiments were performed on epidermal strips of A. thaliana leaves to monitor stomatal closure in response to ABA in presence of the same pharmacology. Our data provide evidence that ryanodine receptor and inositol trisphosphate receptor could be involved in ABA-induced (1) Ca2+ release in the cytosol, (2) anion channel activation and H+-ATPase inhibition leading to plasma membrane depolarization and (3) stomatal closure. Intracellular Ca2+ release could thus contribute to the control of early events in the ABA signal transduction pathway in A. thaliana. PMID:19847112

Thermally stable green Ba(3)Y(PO(4))3:Ce(3+),Tb(3+) and red Ca(3)Y(AlO)(3)(BO(3))4:Eu(3+) phosphors for white-light fluorescent lamps.

PubMed

Huang, Chien-Hao; Kuo, Te-Wen; Chen, Teng-Ming

2011-01-03

A class of thermal stable of green-emitting phosphors Ba(3)Y(PO(4))(3):Ce(3+),Tb(3+) (BYP:Ce(3+),Tb(3+)) and red-emitting phosphors Ca(3)Y(AlO)(3)(BO(3))(4):Eu(3+) (CYAB:Eu(3+)) for white-light fluorescent lamps were synthesized by high temperature solid-state reaction. We observed a decay of only 3% at 150 °C for BYP:0.25Ce3+,0.25Tb3+ (3% for LaPO4:Ce(3+),Tb(3+)), and a decay of 4% for CYAB:0.5Eu(3+) (7% for Y(2)O(3):Eu(3+), 24% for Y(2)O(2)S:Eu(3+)). The emission intensity of composition-optimized Ba(3)(Y(0.5)Ce(0.25)Tb(0.25))(PO(4))(3) is 70% of that of commercial LaPO(4):Ce(3+),Tb(3+) phosphors, and the CIE chromaticity coordinates are found to be (0.323, 0.534). The emission intensity of Ca(3)(Y(0.5)Eu(0.5))(AlO)(3)(BO(3))(4) is 70% and 83% of those of Y(2)O(3):Eu(3+) and Y(2)O(2)S:Eu(3+) phosphors, respectively, and the CIE chromaticity coordinates are redder (0.652, 0.342) than those of Y(2)O(3):Eu(3+) (0.645, 0.347) and Y(2)O(2)S:Eu(3+) (0.647, 0.343). A white-light fluorescent lamp is fabricated using composition-optimized Ba(3)(Y(0.5)Ce(0.25)Tb(0.25))(PO(4))(3) and Ca(3)(Y(0.5)Eu(0.5))(AlO)(3)(BO(3))(4) phosphors and matching blue-emitting phosphors. The results indicate that the quality of the brightness and color reproduction is suitable for application in shortwave UV fluorescent lamps. The white-light fluorescent lamp displays CIE chromaticity coordinates of x = 0.33, y = 0.35, a warm white light with a correlated color temperature of 5646 K, and a color-rendering index of Ra = 70.

Superconducting Sr 2- xAxCuO 2F 2+ δ( A=Ca, Ba): Synthetic Pathways and Associated Structural Rearrangements

NASA Astrophysics Data System (ADS)

Francesconi, M. G.; Slater, P. R.; Hodges, J. P.; Greaves, C.; Edwards, P. P.; Al-Mamouri, M.; Slaski, M.

1998-01-01

The low-temperature fluorination of a range of insulating alkaline earth cuprates Sr2-xAxCuO3(A=Ca (0≤x≤2);A=Ba (0≤x≤0.6)) can result in superconducting oxide fluorides Sr2-xAxCuO2F2+δ. In contrast, conventional high-temperature solid-state reactions produce thermodynamically more stable mixtures of oxides and fluorides. Various soft-chemistry fluorination pathways (utilizing F2gas, NH4F,MF2[M=Cu, Zn, Ni, Ag]) are compared with respect to their efficacy and mechanisms. Attention is also focused on the structural features of the mixed-oxide precursor and the final-oxide fluorides to highlight the remarkable structural rearrangements that occur during the low-temperature fluorination. The effects of fluorination of other Sr-Cu-O systems are used to identify the structural requirements of the precursor oxide in order to achieve such transformations.

Citric acid enhanced the antioxidant defense system and chromium uptake by Lemna minor L. grown in hydroponics under Cr stress.

PubMed

Sallah-Ud-Din, Rasham; Farid, Mujahid; Saeed, Rashid; Ali, Shafaqat; Rizwan, Muhammad; Tauqeer, Hafiz Muhammad; Bukhari, Syed Asad Hussain

2017-07-01

Phytoextraction is a cost-effective and eco-friendly technique for the removal of pollutants, mainly heavy metal(loids) especially from polluted water and metal-contaminated soils. The phytoextraction of heavy metals is, in general, limited due to the low availability of heavy metals in the growth medium. Organic chelators can help to improve the phytoextraction by increasing metal mobility and solubility in the growth medium. The present research was carried out to examine the possibility of citric acid (CA) in improving chromium (Cr) phytoextraction by Lemna minor (duckweed). For this purpose, healthy plants were collected from nearby marsh and grown in hydroponics under controlled conditions. Initial metal contents of both marsh water and plant were measured along with physico-chemical properties of the marsh water. Different concentrations of Cr and CA were applied in the hydroponics in different combinations after defined intervals. Continuous aeration was supplied and pH maintained at 6.5 ± 0.1. Results showed that increasing concentration of Cr significantly decreased the plant biomass, photosynthetic pigments, leaf area, and antioxidant enzyme activities (like catalase, ascorbate peroxidase, superoxide dismutase, peroxidase). Furthermore, Cr stress increased the Cr concentrations, electrolyte leakage, hydrogen peroxide, and malondialdehyde contents in plants. The addition of CA alleviated the Cr-induced toxicity in plants and further enhanced the Cr uptake and its accumulation in L. minor. The addition of CA enhanced the Cr concentration in L. minor by 6.10, 26.5, 20.5, and 20.2% at 0, 10, 100, and 200 μM Cr treatments, respectively, compared to the respective Cr treatments without CA. Overall, the results of the present study showed that CA addition may enhance the Cr accumulation and tolerance in L. minor by enhancing the plant growth and activities of antioxidant enzymes.

Influences of alkaline earth metal substitution on the crystal structure and physical properties of magnetic RuSr1.9A0.1GdCu2O8 (A = Ca, Sr, and Ba) superconductors.

PubMed

Hur, Su Gil; Park, Dae Hoon; Hwang, Seong-Ju; Kim, Seung Joo; Lee, J H; Lee, Sang Young

2005-11-24

We have investigated the effect of alkaline earth metal substitution on the crystal structure and physical properties of magnetic superconductors RuSr(1.9)A(0.1)GdCu(2)O(8) (A = Ca, Sr, and Ba) in order to probe an interaction between the magnetic coupling of the RuO(2) layer and the superconductivity of the CuO(2) layer. X-ray diffraction and X-ray absorption spectroscopic analyses demonstrate that the isovalent substitution of Sr ions with Ca or Ba ions makes it possible to tune the interlayer distance between the CuO(2) and the RuO(2) layers. From the measurements of electrical resistance and magnetic susceptibility, it was found that, in contrast to negligible change of magnetization, both of the alkaline earth metal substitutions lead to a notable depression of zero-resistance temperature T(c) (DeltaT(c) approximately 17-19 K). On the basis of the absence of a systematic correlation between the T(c) and the interlayer distance/magnetization, we have concluded that the internal magnetic field of the RuO(2) layer has insignificant influence on the superconducting property of the CuO(2) layer in the ruthenocuprate.

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.

STUDY OF BIFERROIC PROPERTIES IN THE La0.37Ca0.17Ba0.43Mn0.52Ti0.44Zr0.04O3 COMPLEX PEROVSKITE

NASA Astrophysics Data System (ADS)

Cardona-Vásquez, J. A.; Gómez, M. E.; Landínez-Téllez, D. A.; Roa-Rojas, J.

2013-10-01

In this paper, details of synthesis and structural, morphological, electrical, and magnetic characterization of the new La0.37Ca0.17Ba0.43Mn0.52Ti0.44Zr0.04O3 multiferroic complex perovskite are reported. Mixtures with 50% mass of ferromagnetic lanthanum calcium manganite La0.67Ca0.33MnO3 and ferroelectric barium-lanthanum zirconate titanate Ba0.9La0.067Ti0.91Zr0.09 O3 were prepared by the solid state reaction technique. Patterns of X-ray diffraction showed that the materials have reacted resulting in a new perovskite-like structure with tetragonal symmetry, space group P4mm(#99). The structure of the material was refined using the Rietveld method through the GSAS code. ZFC and FC magnetization curves show the occurrence of two phase transitions at 42.25 K and 203.9 K which have been associated with two different magnetic regimes. Hysteresis curves measured confirm that the relationship between the applied field and the magnetization does not evidence a linear behavior. These curves also show that in the low temperature regime the magnetic memory of the material is greater than in the high temperature region. AC impedance as a function of temperature measurements show the same two regions observed in the magnetization curves. The ferroelectric behavior with relative permittivity of 153.12 is observed by polarization curves performed at room temperature in the synthesized materials.

Structural, microstructural, dielectric and ferroelectric properties of lead free Ba0.85Ca0.15Zr0.1Ti0.9O3 ceramic

NASA Astrophysics Data System (ADS)

Sharma, Sarita; Sharma, Hakikat; Negi, N. S.

2018-05-01

Lead free Ba0.85Ca0.15Zr0.1Ti0.9O3(BCTZ) ceramic has been synthesized by sol-gel method. Properties of material are studied at different sintering temperatures for 5 hours. Structural and microstructural properties are analyzed by using X-ray diffractrometer (XRD) and scanning electron microscopy (SEM) at annealing temperature of 850°C and 1050°C XRD pattern confirm the perovskite structure of the material without any unwanted phases crystalinity increased with increase of sintering temperature so as roughness and porosity is decreased as shown by SEM micrographs. There is large improvement in density with rise of sintering temperature which also leads to drastic change in ferroelectric and dielectric properties.

Remedial Investigation Report, Presidio Main Installation, Presidio of San Francisco. Volume 6: Appendices A-F

DTIC Science & Technology

1997-01-01

Version 1 .0 )9-/77 Background data analysis Az. CdB . C t_ I eF2 G S21.4 Cal-Ba Method• detection limit Mediki czi.ii- 23.6 Cl-B O.. 13.9ol DATA15 Ca...E F G H T2 4124 CoI-Cr TTL5 i.2 305 0-0 Ca=Lonomllmen97.534 Create ineprt 41.1 Cal-Cr ENTER DATA 7 J42,8251 Histogram 41.2 Wa-0 IT 42.1 Cdct Ditibto

Laboratory investigations of the effects of nitrification-induced acidification on Cr cycling in vadose zone material partially derived from ultramafic rocks

USGS Publications Warehouse

Mills, Christopher T.; Goldhaber, Martin B.

2012-01-01

Sacramento Valley (California, USA) soils and sediments have high concentrations of Cr(III) because they are partially derived from ultramafic material. Some Cr(III) is oxidized to more toxic and mobile Cr(VI) by soil Mn oxides. Valley soils typically have neutral to alkaline pH at which Cr(III) is highly immobile. Much of the valley is under cultivation and is both fertilized and irrigated. A series of laboratory incubation experiments were conducted to assess how cultivation might impact Cr cycling in shallow vadose zone material from the valley. The first experiments employed low (7.1 mmol N per kg soil) and high (35 mmol N kg− 1) concentrations of applied (NH4)2SO4. Initially, Cr(VI) concentrations were up to 45 and 60% greater than controls in low and high incubations, respectively. After microbially-mediated oxidation of all NH4+, Cr(VI) concentrations dropped below control values. Increased nitrifying bacterial populations (estimated by measurement of phospholipid fatty acids) may have increased the Cr(VI) reduction capacity of the vadose zone material resulting in the observed decreases in Cr(VI). Another series of incubations employed vadose zone material from a different location to which low (45 meq kg− 1) and high (128 meq kg− 1) amounts of NH4Cl, KCl, and CaCl2 were applied. All treatments, except high concentration KCl, resulted in mean soil Cr(VI) concentrations that were greater than the control. High concentrations of water-leachable Ba2 + (mean 38 μmol kg− 1) in this treatment may have limited Cr(VI) solubility. A final set of incubations were amended with low (7.1 mmol N kg− 1) and high (35 mmol N kg− 1) concentrations of commercial liquid ammonium polyphosphate (APP) fertilizer which contained high concentrations of Cr(III). Soil Cr(VI) in the low APP incubations increased to a concentration of 1.8 μmol kg− 1 (5 × control) over 109 days suggesting that Cr(III) added with the APP fertilizer was more

Water Atomization of Barium Fluoride: Calcium Fluoride for Enhanced Flow Characteristics of PS304 Feedstock Powder Blend

NASA Technical Reports Server (NTRS)

Stanford, Malcolm K.; DellaCorte, Christopher

2003-01-01

PS304 is a plasma spray deposited solid lubricant coating with feedstock composed of NiCr, Cr2O3, Ag, and BaF2-CaF2 powders. The effects of rounded BaF2-CaF2 particles on the gravity-fed flow characteristics of PS304 feedstock have been investigated. The BaF2-CaF2 powder was fabricated by water atomization using four sets of process parameters. Each of these powders was then characterized by microscopy and classified by screening to obtain 45 to 106 micron particles and added incrementally from 0 to 10 wt% to the other constituents of the PS304 feedstock, namely nichrome, chromia, and silver powders. The relationship between feedstock flow rate, measured with the Hall flowmeter, and concentration of fluorides was found to be linear in each case. The slopes of the lines were between those of the linear relationships previously reported using angular and spherical fluorides and were closer to the relationship predicted using the rule of mixtures. The results offer a fluoride fabrication technique potentially more cost-effective than gas atomization processes or traditional comminution processes.

Batisivite, V8Ti6[Ba(Si2O)]O28, a new mineral species from the derbylite group

NASA Astrophysics Data System (ADS)

Reznitsky, L. Z.; Sklyarov, E. V.; Armbruster, T.; Galuskin, E. V.; Ushchapovskaya, Z. F.; Polekhovsky, Yu. S.; Karmanov, N. S.; Kashaev, A. A.; Barash, I. G.

2008-12-01

Batisivite has been found as an accessory mineral in the Cr-V-bearing quartz-diopside metamorphic rocks of the Slyudyanka Complex in the southern Baikal region, Russia. A new mineral was named after the major cations in its ideal formula (Ba, Ti, Si, V). Associated minerals are quartz, Cr-V-bearing diopside and tremolite; calcite; schreyerite; berdesinskiite; ankangite; V-bearing titanite; minerals of the chromite-coulsonite, eskolaite-karelianite, dravite-vanadiumdravite, and chernykhite-roscoelite series; uraninite; Cr-bearing goldmanite; albite; barite; zircon; and unnamed U-Ti-V-Cr phases. Batisivite occurs as anhedral grains up to 0.15-0.20 mm in size, without visible cleavage and parting. The new mineral is brittle, with conchoidal fracture. Observed by the naked eye, the mineral is black and opaque, with a black streak and resinous luster. Batisivite is white in reflected light. The microhardness (VHN) is 1220-1470 kg/mm2 (load is 30 g), the mean value is 1330 kg/mm2. The Mohs hardness is near 7. The calculated density is 4.62 g/cm3. The new mineral is weakly anisotropic and bireflected. The measured values of reflectance are as follows (λ, nm— R {max/'}/ R {min/'}): 440—17.5/17.0; 460—17.3/16.7; 480—17.1/16.5; 500—17.2/16.6; 520—17.3/16.7; 540—17.4/16.8; 560—17.5/16.8; 580—17.6/16.9; 600—17.7/17.1; 620—17.7/17.1; 640—17.8/17.1; 660—17.9/17.2; 680—18.0/17.3; 700—18.1/17.4. Batisivite is triclinic, space group P overline 1 ; the unit-cell dimensions are: a = 7.521(1) Å, b = 7.643(1) Å, c = 9.572(1) Å, α = 110.20°(1), β = 103.34°(1), γ = 98.28°(1), V = 487.14(7) Å3, Z = 1. The strongest reflections in the X-ray powder diffraction pattern [ d, Å ( I, %)( hkl)] are: 3.09(8)(12 overline 2 ); 2.84, 2.85(10)(021, 120); 2.64(8)(21 overline 3 ); 2.12(8)(31 overline 3 ); 1.785(8)(32 overline 4 ), 1.581(10)(24 overline 2 ); 1.432, 1.433(10)(322, 124). The chemical composition (electron microprobe, average of 237 point analyses

Domain wall motion and electromechanical strain in lead-free piezoelectrics: Insight from the model system (1 − x)Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}–x(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} using in situ high-energy X-ray diffraction during application of electric fields

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

Tutuncu, Goknur; Li, Binzhi; Bowman, Keith

The piezoelectric compositions (1 − x)Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}–x(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} (BZT-xBCT) span a model lead-free morphotropic phase boundary (MPB) between room temperature rhombohedral and tetragonal phases at approximately x = 0.5. In the present work, in situ X-ray diffraction measurements during electric field application are used to elucidate the origin of electromechanical strain in several compositions spanning the tetragonal compositional range 0.6 ≤ x ≤ 0.9. As BCT concentration decreases towards the MPB, the tetragonal distortion (given by c/a-1) decreases concomitantly with an increase in 90° domain wall motion. The increase in observed macroscopic strain is predominantly attributed to the increased contribution from 90°more » domain wall motion. The results demonstrate that domain wall motion is a significant factor in achieving high strain and piezoelectric coefficients in lead-free polycrystalline piezoelectrics.« less

Hypotensive effect of Gentiana floribunda is mediated through Ca++ antagonism pathway

PubMed Central

2012-01-01

Background Gentiana floribunda was investigated for the possible hypotensive and vasodilator activities in an attempt to rationalize its traditional use in hypertension. Methods The crude extract of Gentiana floribunda (Gf.Cr) was studied in anaesthetized rats and isolated thoracic aorta tissues. Results Gf.Cr which tested positive for presence of flavonoids, saponins, sterols, tannins and terpenes caused dose-dependent (3.0-100 mg/kg) fall in arterial blood pressure (BP) of rats under anaesthesia. In rat aortic ring preparations denuded of endothelium, Gf.Cr at concentration range of 1.0-10 mg/mL relaxed high K+ (80 mM) and phenylephrine (PE, 1 μM)-induced contractions and shifted Ca++ dose–response curves to right, similar to that caused by verapamil. It also suppressed PE (1 μM) control peak responses at 0.3-1.0 mg/mL, obtained in Ca++-free medium, as exhibited by verapamil. Pre-treatment of tissues with Gf.Cr produced rightward non-parallel shift of PE-curves with decline of maximum contractile response. The vasodilator effect of Gf.Cr was endothelial-independent, as it was not blocked by Nω-nitro-L-arginine methyl ester hydrochloride, atropine and indomethacin in endothelium-intact aortic tissues. Conclusions These data indicate that BP-lowering action of Gentiana floribunda occurred via Ca++ antagonism (inhibition of Ca++ ingress and release from intracellular stores), which provides pharmacological basis to justify its effectiveness in hypertension. PMID:22883710

Dielectric response and structure of in-plane tensile strained BaTiO3 thin films grown on the LaNiO3 buffered Si substrate

NASA Astrophysics Data System (ADS)

Qiao, Liang; Bi, Xiaofang

2008-02-01

Highly (001)-textured BaTiO3 films were grown epitaxially on the LaNiO3 buffered Si substrate. A strong in-plane tensile strain has been revealed by using x-ray diffraction and high resolution transmission electron microscopy. The BaTiO3 film has exhibited a small remnant polarization, indicating the presence of ca1/ca2/ca1/ca2 polydomain state in the film. Temperature dependent dielectric permittivity has demonstrated that two phase transitions occurred at respective temperatures of 170 and 30°C. The result was discussed in detail based on the misfit strain-temperature phase diagrams theory.

Synthesis of Bi nanowire networks and their superior photocatalytic activity for Cr(vi) reduction.

PubMed

Zhao, Jin; Han, Qiaofeng; Zhu, Junwu; Wu, Xiaodong; Wang, Xin

2014-09-07

Interconnected Bi nanowire networks were synthesized for the first time via a solvothermal route by using ethylene glycol (EG) as both a solvent and a reducing agent, and citric acid (CA) as a stabilizing agent at a molar ratio of CA/Bi(3+) = 5. Among various reaction conditions including the temperature, reaction time and precursor concentration, the molar ratio of CA/Bi(3+) was the dominant experimental parameter to influence the morphology and structures of the Bi crystals. Highly dispersed Bi microspheres and network-like Bi thick wires were obtained if the molar ratio of CA/Bi(3+) was changed to 2.5 and 10, respectively. As compared to other additives including trisodium citrate, cetyltrimethylammonium bromide (CTAB) and oxalic acid, good solubility of CA in EG together with its coordination effect played a crucial role in the formation of network-like Bi nanowires. The Bi nanowire networks exhibited excellent photocatalytic performance for Cr(vi) reduction. Cr(vi) was completely reduced to less toxic Cr(iii) after 8 min and 55 min of UV and visible-light irradiation, respectively.

Seasonal Trends and Inter-Individual Heterogeneity: A multi-species record of Mg, Sr, Ba, & Mn in Planktic Foraminifera from the Modern Cariaco Basin

NASA Astrophysics Data System (ADS)

Davis, C. V.; Thunell, R.; Astor, Y. M.

2017-12-01

The trace element to calcium ratios (TE/Ca) of planktic foraminifera shells are a valuable tool for paleoceanographic reconstructions, and represent a combination of environmental, ecological and biological signals. We present here a three-year record (2010-2013) of TE/Ca (Mg, Sr, Ba, Mn) from four species of foraminifera (Orbulina universa, Globigerina ruber, Globigerinella siphonifera, and Globorotalia menardii) collected by plankton tow in the modern Cariaco basin. Each tow is paired with in situ measurements of water column properties, allowing a direct comparison between shell geochemistry and calcification environment. A combination of Laser Ablation and solution ICP-MS analyses are used to document seasonality, primarily due to the alternating influence of wind-driven coastal upwelling and riverine inputs, in shell TE/Ca. Individual shell data further allows for the quantification of trace element heterogeneity among individual shells within single tows. All TE/Ca ratios vary temporally and show inter-individual variability within single tows. The spread in TE/Ca differs between element and species, with Mg/Ca ratios being the most variable. Despite this, Mg/Ca still tracks temperature changes in G. ruber, O. universa, and G. menardii, with G. ruber most closely reproducing sea surface temperature. Some species show chamber-to-chamber differences in trace element ratios, with G. ruber Mg/Ca and Ba/Ca decreasing in younger chambers (but not other elements) and Mg/Ca, Mn/Ca and Ba/Ca decreasing in younger chambers in G. siphonifera. We find the original Mn/Ca to be variable both temporally and between species, with G. menardii in some samples having extremely high ratios (100 μmol/mol). Assessing seasonal trends and environmental drivers of TE/Ca variability and quantifying the extent of inter-individual heterogeneity in these species will inform the use of their shells as geochemical proxies.

Understanding the role of A-site and B-site cations on piezoelectric instability in lead--free (1-x) BaTiO3 -- xA(Cu1/3Nb2/3)O3 (A = Sr, Ca, Ba) solid solutions

NASA Astrophysics Data System (ADS)

Maurya, Deepam; Zhou, Yuan; Priya, Shashank

2013-03-01

This study provides fundamental understanding of the enhanced piezoelectric instability in lead-free piezoelectric (1-x) BaTiO3-xA(Cu1/3Nb2/3) O3(A: Sr, Ba and Ca and x = 0.0-0.03) solid solutions. These compositions were found to exhibit large longitudinal piezoelectric constant (d33) of ~330 pC/N and electromechanical planar coupling constant (kp) ~ 46% at room temperature. The X-ray diffraction coupled with atomic pair distribution functions (PDF)s indicated increase in local polarization. Raman scattering and electron paramagnetic resonance (EPR) analysis revealed that substitutions on A and B-site both substantially perturbed the local octahedral dynamics and resulted in localized nano polar regions with lower symmetry. The presence of nano domains and local structural distortions smears the Curie peak resulting in diffuse order-disorder type phase transitions. The effect of these distortions on the variations in physical property was modeled and analyzed within the context of nanodomains and phase transitions. *spriya@vt.edu The financial support from National Science Foundation and Office of Basic Energy Science, Department of Energy (Microscopy analysis) is gratefully acknowledged. The authors would also like to acknowledge the support from KIMS (new piezoelectric)

Dependences of the density of M 1- x R x F2 + x and R 1- y M y F3- y single crystals ( M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-01

The density of single crystals of nonstoichiometric phases Ba1 - x La x F2 + x (0 ≤ x ≤ 0.5) and Sr0.8La0.2 - x Lu x F2.2 (0 ≤ x ≤ 0.2) with the fluorite (CaF2) structure type and R 1 - y Sr y F3 - y ( R = Pr, Nd; 0 ≤ y ≤ 0.15) with the tysonite (LaF3) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement the composition control of single crystals of superionic conductors M 1 - x R x F2 + x and R 1 - y M y F3 - y in practice, calibration graphs of X-ray density in the MF2- RF3 systems ( M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.

Ionic conductivity of cold-pressed ceramics from grinding of R0.95M0.05F2.95 solid electrolytes ( R = La, Nd; M = Ca, Sr, Ba) synthesized by reaction in melt

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Ivanovskaya, N. A.; Sobolev, B. P.

2014-03-01

Cold-pressed ceramics of fluorine-conducting solid electrolytes La1 - y M y F3 - y ( M = Ca, Sr, Ba) and Nd1 - y Ca y F3 - y with y = 0.95 have been synthesized in a melt of RF3 ( R = La, Nd) and MF2 components in a fluorinating atmosphere and ground in a ball mill. The as-prepared ceramics require annealing, during which their porosity decreases and the conductivity is stably increased (by a factor of 250 for the R 1 - y M y F3 - y composition at 293 K). The Nd0.95Ca0.05F2.95 and Nd0.95Ca0.05F2.95 compositions have a maximum ionic conductivity σ(293 K) ˜ 5 × 10-6 Sm/cm. This value is larger (by a factor of about 10) than σ (293 K) for the R 1 - y M y F3 - y ceramics of tysonite phases prepared by mechanochemical synthesis with the cold pressing of reaction products.

An investigation of the rapid spectral variability of the AP stars 53 Cam, 41 Tau, and Beta CrB on the basis of the K CA II and H-delta lines

NASA Astrophysics Data System (ADS)

Kuvshinov, V. M.; Plachinda, S. I.

The flux is shown to vary with the phase of the period of axial rotation. For 53 Cam and Beta CrB, this variability is smooth and is well correlated with the intensity of the mean surface magnetic field. It is pointed out that in the case of 53 Cam, an analogous dependence between the equivalent width of the K Ca II line and the phase of the period of rotation was obtained by Faraggiana (1973). It is considered significant that the correlations between the flux in the K line and the intensity of the mean surface magnetic field for 53 Cam and Beta CrB have the same sign. With 41 Tau, as with the effective magnetic field, no smooth relationship is found between the fluxes in the K Ca II and H-delta lines and the phase of the period of rotation.

Multiple effects of ryanodine on intracellular free Ca2+ in smooth muscle cells from bovine and porcine coronary artery: modulation of sarcoplasmic reticulum function.

PubMed

Wagner-Mann, C; Hu, Q; Sturek, M

1992-04-01

1. The effects of ryanodine and caffeine on intracellular free Ca2+ concentration ([Ca2+]i) were studied by use of fura-2 microfluorometry in single smooth muscle cells freshly dispersed from bovine and porcine coronary artery. 2. Bovine and porcine cells demonstrated similar sensitivities to 10 min of exposure to ryanodine in physiological salt solution (PSS), as determined by comparable dose-dependent decreases in the subsequent [Ca2+]i transient induced by 5 mM caffeine. 3. Ryanodine (10 microM) caused a significant increase in [Ca2+]i to a plateau level 27 +/- 3% and 38 +/- 4% above baseline [Ca2+]i (baseline [Ca2+]i = [Ca2+]i at 0 min) in porcine and bovine cells, respectively, when bathed in PSS. In bovine cells the time required to reach 1/2 the plateau level was only 3 min versus 6 min for porcine cells. 4. The ryanodine-induced plateau increase in [Ca2+]i was 35 +/- 5% above baseline for bovine cells bathed in 0 Ca PSS (PSS including 10 microM EGTA with no added Ca2+), but only 7 +/- 3% above baseline in porcine cells during 10 min exposure to 10 microM ryanodine. In bovine cells [Ca2+]i showed proportional increases when extracellular Ca2+ was increased from the normal 2 mM Ca2+ PSS to 5 and 10 mM. 5. Cells pretreated with caffeine in 0 Ca PSS, which depleted the caffeine-sensitive sarcoplasmic reticulum Ca2+ store, showed no increase in [Ca2+]i when challenged with 10 microM ryanodine. The ryanodine-associated increase in [Ca2+]i, which was sustained in 0 Ca PSS during the 10 min ryanodine exposure in cells not pretreated with caffeine, suggests that ryanodine releases Ca2+ from the sarcoplasmic reticulum, but also inhibits Ca2+ efflux.6. Intracellular free Ba2+ ([Ba24],) was measured with fura-2 microfluorometry to define further the Ca2" efflux pathway inhibited by ryanodine; specifically, Ba2+ is not transported by the Ca2" pump, but will substitute for Ca2" in Na+-Ca24 exchange. In porcine cells pretreated with caffeine in 0 Ca PSS to deplete the

Biosorption behavior and mechanism of lead (II) from aqueous solution by aerobic granules (AG) and bacterial alginate (BA)

NASA Astrophysics Data System (ADS)

Wang, Lin; Li, Yu

2012-12-01

Lead (Pb) and its compounds are common pollutants in industrial wastewaters. To develop appropriate Pb2+ treatment technologies, aerobic granules (AG) and bacterial alginates (BA) were studied as alternative biosorbents to remove Pb2+ from aqueous solutions. The biosorption mechanism of AG and BA were further analyzed to determine which functional groups in AG and BA are active in Pb2+ biosorption. In this paper, the Pb2+ biosorption behavior of AG and BA was respectively investigated in batch experiments from the perspectives of the initial pH, contact time, and initial Pb2+ concentration. The results showed that biosorption of Pb2+ by AG and BA occurred within 60min at the initial Pb2+ concentrations (0-150 mg L-1). The actual saturated Pb2+ biosorption capability of AG was 101.97 mg g-1 (dry weight of aerobic granular biomass). When the initial pH was 5, the biosorption capability of AG and BA was highest at the initial Pb2+ concentrations (0-20mg L-1). During the process of Pb2+ biosorption, K+, Ca2+, and Mg2+ were released. The Ion Chromatography (IC) and Fourier Transform Infrared Spectroscopy (FTIR) further highlighted the main role of ion exchange between Ca2+ and Pb2+ and sequestration of Pb2+ with carboxyl (-COO-) of AG and BA. This analogical analysis verifies that BA is responsible for biosorption of Pb2+ by AG. At the same optimal pH, AG cultivated with different carbon source has different Pb2+ biosorption capacity. The Pb2+ biosorption by AG with sodium acetate as the sole carbon source is higher than AG with glucose as carbon source.

First-principles study of twin grain boundaries in epitaxial BaSi{sub 2} on Si(111)

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

Baba, Masakazu; Suemasu, Takashi, E-mail: suemasu@bk.tsukuba.ac.jp; Kohyama, Masanori

2016-08-28

Epitaxial films of BaSi{sub 2} on Si(111) for solar cell applications possess three epitaxial variants and exhibit a minority carrier diffusion length (ca. 9.4 μm) much larger than the domain size (ca. 0.2 μm); thus, the domain boundaries (DBs) between the variants do not act as carrier recombination centers. In this work, transmission electron microscopy (TEM) was used to observe the atomic arrangements around the DBs in BaSi{sub 2} epitaxial films on Si(111), and the most stable atomic configuration was determined by first-principles calculations based on density functional theory to provide possible interface models. Bright-field TEM along the a-axis of BaSi{sub 2}more » revealed that each DB was a twin boundary between two different epitaxial variants, and that Ba{sup (II)} atoms form hexagons containing central Ba{sup (I)} atoms in both the bulk and DB regions. Four possible interface models containing Ba{sup (I)}-atom interface layers were constructed, each consistent with TEM observations and distinguished by the relationship between the Si tetrahedron arrays in the two domains adjacent across the interface. This study assessed the structural relaxation of initial interface models constructed from surface slabs terminated by Ba{sup (I)} atoms or from zigzag surface slabs terminated by Si tetrahedra and Ba{sup (II)} atoms. In these models, the interactions or relative positions between Si tetrahedra appear to dominate the relaxation behavior and DB energies. One of the four interface models whose relationship between first-neighboring Si tetrahedra across the interface was the same as that in the bulk was particularly stable, with a DB energy of 95 mJ/m{sup 2}. There were no significant differences in the partial densities of states and band gaps between the bulk and DB regions, and it was therefore concluded that such DBs do not affect the minority carrier properties of BaSi{sub 2}.« less

Spectroscopic, Elemental and Thermal Analysis, and Positron Annihilation Studies on Ca(II), Sr(II), Ba(II), Pb(II), and Fe(III) Penicillin G Potassium Complexes

NASA Astrophysics Data System (ADS)

Refat, M. S.; Sharshara, T.

2015-11-01

The [Pb(Pin)2] · 3H2O, [M(Pin)(H2O)2(Cl)] · nH2O (M = SrII, CaII or BaII; n = 0-1), and [Fe(Pin)2(Cl)(H2O)] · H2O penicillin G potassium (Pin) complexes were synthesized and characterized using elemental analyses, molar conductivity, thermal analysis and electronic spectroscopy techniques. The positron annihilation lifetime (PAL) and Doppler broadening (DB) techniques have been employed to probe the defects and structural changes of Pin ligand and its complexes. The PAL and DB line-shape parameters were discussed in terms of the structure, molecular weight, ligand-metal molar ratio, and other properties of the Pin complexes.

Multiple caloric effects in (Ba0.865Ca0.135Zr0.1089Ti0.8811Fe0.01)O3 ferroelectric ceramic

NASA Astrophysics Data System (ADS)

Patel, Satyanarayan; Chauhan, Aditya; Vaish, Rahul

2015-07-01

Multiple caloric effects have been investigated for Fe-doped bulk (Ba0.865Ca0.135Zr0.1089Ti0.8811Fe0.01)O3 (BCZTO-Fe) ferroelectric ceramic. Indirect predictions were made using Maxwell's relations in conjunction with data from experimental observations. It was revealed that bulk BCZTO-Fe has huge untapped potential for solid-state refrigeration. A peak electrocaloric effect of 0.45 K (347 K) was predicted for 0-3 kV.mm-1 electric field, significantly higher than other BCZTO based materials. A maximum elastocaloric cooling of 1.4 K (298 K) was achieved for applied stress of 0-200 MPa. Finally, an unforeseen component of electric field driven caloric effect has been reported as inverse piezocaloric effect, with a maximum temperature change of 0.28 K (298 K).

The Density and Compressibility of BaCO3-SrCO3-CaCO3-K2CO3-Na2CO3-Li2CO3 Liquids: New Measurements and a Systematic Trend with Cation Field Strength

NASA Astrophysics Data System (ADS)

Hurt, S. M.; Lange, R. A.; Ai, Y.

2015-12-01

The volumetric properties of multi-component carbonate liquids are required to extend thermodynamic models that describe partial melting of the deep mantle (e.g. pMELTS; Ghiorso et al., 2003) to carbonate-bearing lithologies. Carbonate in the mantle is an important reservoir of carbon, which is released to the atmosphere as CO2 through volcanism, and thus contributes to the carbon cycle. Although MgCO3 is the most important carbonate component in the mantle, it is not possible to directly measure the 1-bar density and compressibility of MgCO3 liquid because, like other alkaline-earth carbonates, it decomposes at a temperature lower than its melting temperature. Despite this challenge, Liu and Lange (2003) and O'Leary et al. (2015) showed that the one bar molar volume, thermal expansion and compressibility of the CaCO3 liquid component could be obtained by measuring the density and sound speeds of stable liquids in the CaCO3-Li2CO3-Na2CO3-K2CO3 quaternary system at one bar. In this study, this same strategy is employed on SrCO3- and BaCO3-bearing alkali carbonate liquids. The density and sound speed of seven liquids in the SrCO3-Li2CO3-Na2CO3-K2CO3 quaternary and three liquids in the BaCO3-Li2CO3-Na2CO3-K2CO3 quaternary were measured from 739-1367K, with SrCO3 and BaCO3 concentrations ranging from 10-50 mol%. The density measurements were made using the double-bob Archimedean method and sound speeds were obtained with a frequency-sweep acoustic interferometer. The molar volume and sound speed measurements were used to calculate the isothermal compressibility of each liquid, and the results show the volumetric properties mix ideally with composition. The partial molar volume and compressibility of the SrCO3 and BaCO3 components are compared to those obtained for the CaCO3 component as a function of cation field strength. The results reveal a systematic trend that allows the partial molar volume and compressibility of the MgCO3 liquid component to be estimated.

Semiclassical theory for liquidlike behavior of the frustrated magnet Ca10Cr7O28

NASA Astrophysics Data System (ADS)

Biswas, Sounak; Damle, Kedar

2018-03-01

We identify the low energy effective Hamiltonian that is expected to describe the low temperature properties of the frustrated magnet Ca10Cr7O28 . Motivated by the fact that this effective Hamiltonian has S =3 /2 effective moments as its degrees of freedom, we use semiclassical spin-wave theory to study the T =0 physics of this effective model and argue that singular spin-wave fluctuations destabilize the spiral order favored by the exchange couplings of this effective Hamiltonian. We also use a combination of classical Monte-Carlo simulations and molecular dynamics, as well as analytical approximations, to study the physics at low, nonzero temperatures. The results of these nonzero temperature calculations capture the liquidlike structure factors observed in the temperature range accessed by recent experiments. Additionally, at still lower temperatures, they predict that a transition to nematic order in the bond energies reflects itself in the spin channel in the form of a crossover to a regime with large but finite correlation length for spiral spin correlations and a corresponding slowing down of spin dynamics.

New insights on Ba overabundance in open clusters. Evidence for the intermediate neutron-capture process at play?

NASA Astrophysics Data System (ADS)

Mishenina, T.; Pignatari, M.; Carraro, G.; Kovtyukh, V.; Monaco, L.; Korotin, S.; Shereta, E.; Yegorova, I.; Herwig, F.

2015-02-01

Recently, an increasing number of studies were devoted to measure the abundances of neutron-capture elements heavier than iron in stars belonging to Galactic Open Clusters (OCs). OCs span a sizeable range in metallicity (-0.6 ≤ [Fe/H] ≤ +0.4), and they show abundances of light elements similar to disc stars of the same age. A different pattern is observed for heavy elements. A large scatter is observed for Ba, with most OCs showing [Ba/Fe] and [Ba/La] overabundant with respect to the Sun. The origin of this overabundance is not clearly understood. With the goal of providing new observational insights, we determined radial velocities, atmospheric parameters and chemical composition of 27 giant stars members of five OCs: Cr 110, Cr 261, NGC 2477, NGC 2506 and NGC 5822. We used high-resolution spectra obtained with the UVES spectrograph at European Southern Observatory Paranal. We perform a detailed spectroscopic analysis of these stars to measure the abundance of up to 22 elements per star. We study the dependence of element abundance on metallicity and age with unprecedented detail, complementing our analysis with data culled from the literature. We confirm the trend of Ba overabundance in OCs, and show its large dispersion for clusters younger than ˜4 Gyr. Finally, the implications of our results for stellar nucleosynthesis are discussed. We show in this work that the Ba enrichment compared to other neutron-capture elements in OCs cannot be explained by the contributions from the slow neutron-capture process and the rapid neutron-capture process. Instead, we argue that this anomalous signature can be explained by assuming an additional contribution by the intermediate neutron-capture process.

Geochemistry and mineralogy of fly-ash from the Mae Moh lignite deposit, Thailand

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

Hart, B.R.; Powell, M.A.; Fyfe, W.S.

The concentration of 21 elements in fly ash from three boilers (75 MW, 150 MW, and 300 MW) at the EGAT power plant, Mae Moh, Thailand, were determined by INAA. The concentration of 10 major elements was determined by XRF. As, Co, Cr, Ni, Mo, and Sb generally increase in concentration going from bottom ash (BA) through the sequence of electrostatic precipitator ashes (ESPA) and reach maxima of As (352 ppm), Co (45 ppm), Cr (105 ppm), Mo (32 ppm), Ni (106 ppm), and Sb (15 ppm) in the ESPA. Ce, Cs, Fe, Hf, La, Sc, Ta, Tb, and Ybmore » did not exhibit concentration trends or are variable except in the case of one boiler, which showed an increase going from BA to ESPA. Only Br decreased in composition going from BA to ESPA. Rb, Sm, U, and Th showed marked variation in trends. The major elements identified by EDS were Al, Si, S, K, Ca, Fe, and Ba, with minor amounts of Mg, Na, Ti, Mn, and Sr. Al, Si, K, and Ca occur together and are present in most of the fly-ash particles. Ba was found as a major component with Ca, Al, and Si. Fe and Ca are usually associated with sulfur. Some small spheres (< 5 {mu}m) are comprised almost entirely of Fe (probably as oxide). Symplectite textures are noted in high-Fe phases. All elements except Br are significantly enriched in the fly ash relative to the coal, which contains 35% ash. Particle chemistry is consistent with the major mineral phases identified by XRD, which include: quartz, magnetite, mullite, gehlenite, anorthite, hematite, anhydrite, and clinopyroxene.« less

Structural and electrochemical characterisation of Pr 0.7Ca 0.3Cr 1- yMn yO 3- δ as symmetrical solid oxide fuel cell electrodes

NASA Astrophysics Data System (ADS)

El-Himri, Abdelouhad; Marrero-López, David; Ruiz-Morales, Juan Carlos; Peña-Martínez, Juan; Núñez, Pedro

A series of compounds with composition Pr 0.7Ca 0.3Cr 1- yMn yO 3- δ (y = 0.2, 0.4, 0.6, 0.8) were prepared from an alternative freeze-drying precursor method to obtain polycrystalline powders at relatively low temperature. These perovskite-type materials were tested simultaneously as both anode and cathode in a symmetrical SOFC. The effect of the ratio Mn/Cr on the structure, microstructure and electrochemical properties was studied. The performance is rather modest at low temperature and only interesting values were obtained at high temperatures. An assembled symmetrical SOFC rendered performances of 250 and 160 mW cm -2, at 950 °C, under humidified H 2 and CH 4 respectively.

Synthesis, spectroscopic and thermal studies of Mg(II), Ca(II), Sr(II) and Ba(II) diclofenac sodium complexes as anti-inflammatory drug and their protective effects on renal functions impairment and oxidative stress

NASA Astrophysics Data System (ADS)

El-Megharbel, Samy M.; Hamza, Reham Z.; Refat, Moamen S.

2015-01-01

The main task of our present study is the preparation of newly complexes of Mg(II), Ca(II), Sr(II) and Ba(II) with diclofenac which succeeded to great extent in alleviating the side effects of diclofenac alone and ameliorating the kidney function parameters and antioxidant capacities with respect to diclofenac treated group alone. The Mg(II), Ca(II), Sr(II) and Ba(II) with diclofenac have been synthesized and characterized using infrared, electronic and 1H NMR spectral, thermogravimetric and conductivity measurements. The diclofenac ligand has been found to act as bidentate chelating agent. Diclofenac complexes coordinate through the oxygen's of the carboxyl group. The molar ratio chelation is 1:2 (M2+-dic) with general formula [M(dic)2(H2O)2]ṡnH2O. Antibacterial screening of the alkaline earth metal complexes against Escherichia coli (Gram - ve), Bacillus subtilis (Gram + ve) and anti-fungal (Asperagillus oryzae, Asperagillus niger, Asperagillus flavus) were investigated. The kidney functions in male albino rats were ameliorated upon treatment with metal complexes of dic, which are represented by decreasing the levels of urea and uric acid to be located within normal values. The other looks bright spot in this article is the assessment of antioxidant defense system including SOD, CAT and MDA with the help of Sr2+, Mg2+ and Ca2+-dic complexes. The hormones related to kidney functions and stresses have been greatly ameliorated in groups treated with dic complexes in comparable with dic treated group.

Safety of trivalent chromium complexes: no evidence for DNA damage in human HaCaT keratinocytes.

PubMed

Hininger, Isabelle; Benaraba, Rachida; Osman, Mireille; Faure, Henri; Marie Roussel, Anne; Anderson, Richard A

2007-06-15

Several studies have demonstrated beneficial effects of supplemental trivalent Cr in subjects with reduced insulin sensitivity with no documented signs of toxicity. However, recent studies have questioned the safety of supplemental trivalent Cr complexes. The objective of this study was to evaluate the cytotoxic and genotoxic potential of the Cr(III) complexes (histidinate, picolinate, and chloride) used as nutrient supplements compared with Cr(VI) dichromate. The cytotoxic and genotoxic effects of the Cr complexes were assessed in human HaCaT keratinocytes. The concentrations of Cr required to decrease cell viability were assessed by determining the ability of a keratinocyte cell line (HaCaT) to reduce tetrazolium dye, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide. DNA damage using the Comet assay and the production of 8-hydroxy-2'-deoxyguanosine were also determined with and without hydrogen peroxide-induced stress. The LC50 for human cultured HaCaT keratinocytes was 50 microM for hexavalent sodium dichromate and more than 120-fold higher for Cr chloride (6 mM) and Cr histidinate (10 mM). For Cr picolinate at saturating concentration (120 microM) the LC50 was not attained. High Cr(III) concentrations, 250 microM Cr as Cr chloride and Cr histidinate and 120 microM Cr picolinate (highest amount soluble in the system), not only did not result in oxidative DNA damage but exhibited protective antioxidant effects when cells were exposed to hydrogen peroxide-induced oxidative stress. These data further support the low toxicity of trivalent Cr complexes used in nutrient supplements.

Metaheuristics-Assisted Combinatorial Screening of Eu2+-Doped Ca-Sr-Ba-Li-Mg-Al-Si-Ge-N Compositional Space in Search of a Narrow-Band Green Emitting Phosphor and Density Functional Theory Calculations.

PubMed

Lee, Jin-Woong; Singh, Satendra Pal; Kim, Minseuk; Hong, Sung Un; Park, Woon Bae; Sohn, Kee-Sun

2017-08-21

A metaheuristics-based design would be of great help in relieving the enormous experimental burdens faced during the combinatorial screening of a huge, multidimensional search space, while providing the same effect as total enumeration. In order to tackle the high-throughput powder processing complications and to secure practical phosphors, metaheuristics, an elitism-reinforced nondominated sorting genetic algorithm (NSGA-II), was employed in this study. The NSGA-II iteration targeted two objective functions. The first was to search for a higher emission efficacy. The second was to search for narrow-band green color emissions. The NSGA-II iteration finally converged on BaLi 2 Al 2 Si 2 N 6 :Eu 2+ phosphors in the Eu 2+ -doped Ca-Sr-Ba-Li-Mg-Al-Si-Ge-N compositional search space. The BaLi 2 Al 2 Si 2 N 6 :Eu 2+ phosphor, which was synthesized with no human intervention via the assistance of NSGA-II, was a clear single phase and gave an acceptable luminescence. The BaLi 2 Al 2 Si 2 N 6 :Eu 2+ phosphor as well as all other phosphors that appeared during the NSGA-II iterations were examined in detail by employing powder X-ray diffraction-based Rietveld refinement, X-ray absorption near edge structure, density functional theory calculation, and time-resolved photoluminescence. The thermodynamic stability and the band structure plausibility were confirmed, and more importantly a novel approach to the energy transfer analysis was also introduced for BaLi 2 Al 2 Si 2 N 6 :Eu 2+ phosphors.

Studies on up/down-conversion emission of Yb3+ sensitized Er3+ doped MLa2(MoO4)4 (M = Ba, Sr and Ca) phosphors for thermometry and optical heating

NASA Astrophysics Data System (ADS)

Sinha, Shriya; Kumar, Kaushal

2018-01-01

The photoluminescence properties of Yb3+ sensitized Er3+ doped BaLa2(MoO4)4, SrLa2(MoO4)4 and CaLa2(MoO4)4 phosphors synthesized via hydrothermal method are investigated upon 980 nm and 380 nm light excitations. The phase, purity, and morphology of the samples are characterized by X-ray diffraction, Fourier transform infrared spectroscopy and Field emission scanning electron microscope. Among these three phosphors, the strongest emission intensity is seen in BaLa2(MoO4)4: Er3+/Yb3+ through both the 980 nm and 380 nm light excitations and is explained by the lifetime measurement of 4S3/2 level of Er3+ ion. Temperature sensing measurements were performed by using the fluorescence intensity ratio (FIR) of green emission bands originated from the two thermally coupled 2H11/2 → 4I15/2 and 4S3//2 → 4I15/2 transitions of Er3+ and maximum temperature sensitivity of 1.05% K-1 at 305 K is found for BLa2(MoO4)4: Er3+/Yb3+ sample. Moreover, the laser induced heating is measured in the samples and the maximum temperature of the sample particles is calculated as 422 K at 76 W/cm2 in BaLa2(MoO4)4: Er3+/Yb3+, pointing out large amount of heat generation in such phosphors. The BaLa2(MoO4)4: Er3+/Yb3+ also exhibits higher photothermal conversion efficiency of 46.7%.

Diffuse Phase Transitions and Giant Electrostrictive Coefficients in Lead-Free Fe3+-Doped 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 Ferroelectric Ceramics.

PubMed

Jin, Li; Huo, Renjie; Guo, Runping; Li, Fei; Wang, Dawei; Tian, Ye; Hu, Qingyuan; Wei, Xiaoyong; He, Zhanbing; Yan, Yan; Liu, Gang

2016-11-16

The electrostrictive effect has some advantages over the piezoelectric effect, including temperature stability and hysteresis-free character. In the present work, we report the diffuse phase transitions and electrostrictive properties in lead-free Fe 3+ -doped 0.5Ba(Zr 0.2 Ti 0.8 )O 3 -0.5(Ba 0.7 Ca 0.3 )TiO 3 (BZT-0.5BCT) ferroelectric ceramics. The doping concentration was set from 0.25 to 2 mol %. It is found that by introducing Fe 3+ ion into BZT-0.5BCT, the temperature corresponding to permittivity maximum T m was shifted toward lower temperature monotonically by 37 °C per mol % Fe 3+ ion. Simultaneously, the phase transitions gradually changed from classical ferroelectric-to-paraelectric phase transitions into diffuse phase transitions with a weak relaxor characteristic. Purely electrostrictive responses with giant electrostrictive coefficient Q 33 between 0.04 and 0.05 m 4 /C 2 are observed from 25 to 100 °C for the compositions doped with 1-2 mol % Fe 3+ ion. The Q 33 of Fe 3+ -doped BZT-0.5BCT ceramics is almost twice the Q 33 of other ferroelectric ceramics. These observations suggest that the present system can be considered as a potential lead-free material for the applications in electrostrictive area and that BT-based ferroelectric ceramics would have giant electrostrictive coefficient over other ferroelectric systems.

Metal contamination in campus dust of Xi'an, China: a study based on multivariate statistics and spatial distribution.

PubMed

Chen, Hao; Lu, Xinwei; Li, Loretta Y; Gao, Tianning; Chang, Yuyu

2014-06-15

The concentrations of As, Ba, Co, Cr, Cu, Mn, Ni, Pb, V and Zn in campus dust from kindergartens, elementary schools, middle schools and universities of Xi'an, China were determined by X-ray fluorescence spectrometry. Correlation coefficient analysis, principal component analysis (PCA) and cluster analysis (CA) were used to analyze the data and to identify possible sources of these metals in the dust. The spatial distributions of metals in urban dust of Xi'an were analyzed based on the metal concentrations in campus dusts using the geostatistics method. The results indicate that dust samples from campuses have elevated metal concentrations, especially for Pb, Zn, Co, Cu, Cr and Ba, with the mean values of 7.1, 5.6, 3.7, 2.9, 2.5 and 1.9 times the background values for Shaanxi soil, respectively. The enrichment factor results indicate that Mn, Ni, V, As and Ba in the campus dust were deficiently to minimally enriched, mainly affected by nature and partly by anthropogenic sources, while Co, Cr, Cu, Pb and Zn in the campus dust and especially Pb and Zn were mostly affected by human activities. As and Cu, Mn and Ni, Ba and V, and Pb and Zn had similar distribution patterns. The southwest high-tech industrial area and south commercial and residential areas have relatively high levels of most metals. Three main sources were identified based on correlation coefficient analysis, PCA, CA, as well as spatial distribution characteristics. As, Ni, Cu, Mn, Pb, Zn and Cr have mixed sources - nature, traffic, as well as fossil fuel combustion and weathering of materials. Ba and V are mainly derived from nature, but partly also from industrial emissions, as well as construction sources, while Co principally originates from construction. Copyright © 2014 Elsevier B.V. All rights reserved.

Simultaneous decontamination of cross-polluted soils with heavy metals and PCBs using a nano-metallic Ca/CaO dispersion mixture.

PubMed

Mallampati, Srinivasa Reddy; Mitoma, Yoshiharu; Okuda, Tetsuji; Sakita, Shogo; Simion, Cristian

2014-01-01

In the present work, we investigated the use of nano-metallic calcium (Ca) and calcium oxide (CaO) dispersion mixture for the simultaneous remediation of contaminated soils with both heavy metals (As, Cd, Cr, and Pb) and polychlorinated biphenyls (PCBs). Regardless of soil moisture content, nano-metallic Ca/CaO dispersion mixture achieved about 95-99% of heavy metal immobilization by a simple grinding process. During the same treatment, reasonable PCB hydrodechlorination efficiencies were obtained (up to 97%), though higher hydrodechlorination efficiency by preliminary drying of soil was observed.

Magnetic structure of the swedenborgite CaBa (Co3Fe ) O7 derived by unpolarized neutron diffraction and spherical neutron polarimetry

NASA Astrophysics Data System (ADS)

Qureshi, N.; Díaz, M. T. Fernández; Chapon, L. C.; Senyshyn, A.; Schweika, W.; Valldor, M.

2018-02-01

We present a study that combines polarized and unpolarized neutrons to derive the magnetic structure of the swedenborgite compound CaBa (Co3Fe ) O7. Integrated intensities from a standard neutron diffraction experiment and polarization matrices from spherical neutron polarimetry have been simultaneously analyzed revealing a complex order, which differs from the usual spin configurations on a kagome lattice. We find that the magnetic structure is well described by a combination of two one-dimensional representations corresponding to the magnetic superspace symmetry P 21' , and it consists of spins rotating around an axis close to the [110] direction. Due to the propagation vector q =(1/3 00 ) , this modulation has cycloidal and helicoidal character rendering this system a potential multiferroic. The resulting spin configuration can be mapped onto the classical √{3 }×√{3 } structure of a kagome lattice, and it indicates an important interplay between the kagome and the triangular layers of the crystal structure.

Microwave-assisted rapid synthesis and characterization of CaF₂ particles-filled cellulose nanocomposites in ionic liquid.

PubMed

Deng, Fu; Fu, Lian-Hua; Ma, Ming-Guo

2015-05-05

In this article, we try to compound cellulose/alkali earth metal fluorides (MF2, M=Ca, Mg, Sr, Ba) nanocomposites via microwave-assisted ionic liquid method, wherein cellulose/CaF2 and cellulose/MgF2 were successfully synthesized through this method while cellulose/SrF2 and cellulose/BaF2 could not be synthesized. We focused on the synthesis of cellulose/CaF2 and investigated the influences of the different time and different temperature for the synthesis of cellulose/CaF2 nanocomposites. The influence of different heating methods such as oil-bath heating method was also studied. Ionic liquid ([Bmim][BF4]) was used for dissolving microcrystalline cellulose and providing the source of fluoride ionic and the alkali earth metal nitrate (Ca(NO3)2, Mg(NO3)2, Sr(NO3)2, and Ba(NO3)2) was used as the reaction initiator. They were investigated by X-ray powder diffraction (XRD), Fourier transform infrared spectrometry (FTIR), scanning electron microscopy (SEM), thermogravimetric analysis (TG), derivative thermogravimetric (DTG), and energy-dispersive X-ray spectra (EDS). The different heating modes have influence on the morphology and property. The different temperature and heating time also have a certain influence on the morphology and crystallinity of calcium fluoride. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ca4As3 – a new binary calcium arsenide

PubMed Central

Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.

2015-01-01

The crystal structure of the binary compound tetra­calcium triarsenide, Ca4As3, was investigated by single-crystal X-ray diffraction. Ca4As3 crystallizes in the Ba4P3 structure type and is thus a homologue of isotypic Sr4As3. The unit cell contains 32 Ca2+ cations, 16 As3− isolated anions and four centrosymmetric [As2]4– dumbbells. The As atoms in each of the dumbbells are connected by a single bond, thus this calcium arsenide is a Zintl phase. PMID:26870427

Influence of Europium Doping on Various Electrical Properties of Low-Temperature Sintered 0.5Ba0.90Ca0.10TiO3-0.5BaTi0.88Zr0.12O3-0.1%CuO- xEu Lead-Free Ceramics

NASA Astrophysics Data System (ADS)

Tian, Yongshang; Li, Shuiyun; Sun, Shulin; Gong, Yansheng; Li, Tiantian; Yu, Yongshang; Jing, Qiangshan

2018-01-01

0.5Ba0.90Ca0.10TiO3-0.5BaTi0.88Zr0.12O3-0.1%CuO- xEu (BCT-BZT-Cu- xEu; x = 0-0.90%) lead-free ceramics were sintered at 1220°C with as-synthesized nanoparticles by a modified Pechini method. The structural characteristics and electrical properties of the ceramics that were influenced by varying europium-doping were investigated. All the ceramics featured high densification (relative density: ˜ 96%). X-ray powder diffraction results indicated the samples possessed pure orthorhombic phase. The maximum relative permittivity ( ɛ r, 10869) was found at x around 0.30%. Europium ions could dope on different substitution sites in the ABO3 lattice, which evidently influenced electrical properties with various volumes of oxygen vacancy. Moreover, the formation mechanisms of oxygen vacancy and defect electron complexes were stated. The piezoelectric properties were impacted by defect electron complexes, internal stress, ionic electronegativity, etc. The optimal electrical properties, i.e., d 33 = 384 pC/N, Q m = 92, and k p = 0.36, were detected at x = 0.45%.

X-ray and dielectric characterization of Co doped tetragonal BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Bujakiewicz-Koronska, R.; Vasylechko, L.; Markiewicz, E.; Nalecz, D. M.; Kalvane, A.

2017-01-01

The crystal structure modifications of BaTiO3 induced by cobalt doping were studied. The polycrystalline (1 - x)BaTiO3 + xCo2O3 samples, with x ≤ 10 wt.%, were prepared by high temperature sintering conventional method. According to X-ray phase and structural characterization, performed by full-profile Rietveld refinement technique, all synthesized samples showed tetragonal symmetry perovskite structure with minor amount of parasitic phases. Pure single-phase composition has been detected only in the low level of doping BaTiO3. It was indicated that substitution of Co for the Ti sites in the (1 - x)BaTiO3 + xCo2O3 series led to decrease of tetragonality (c/a) of the BaTiO3 perovskite structure. This effect almost vanished in the (1 - x)BaTiO3 + xCo2O3 samples with nominal Co content higher than ∼1 wt.%, in which precipitation of parasitic Co-containing phases CoO and Co2TiO4 has been observed. Based on the results, the solubility limit of Co in Ti sub-lattice in the (1 - x)BaTiO3 + xCo2O3 series is estimated as x = 0.75 wt.%.

Evolution of Spin fluctuations in CaFe2As2 with Co-doping.

NASA Astrophysics Data System (ADS)

Sapkota, A.; Das, P.; Böhmer, A. E.; Abernathy, D. L.; Canfield, P. C.; Kreyssig, A.; McQueeney, R. J.; Goldman, A. I.

Spin fluctuations are an essential ingredient for superconductivity in Fe-based supercondcutors. In Co-doped BaFe2As2, the system goes from the antiferromagnetic (AFM) state to the superconducting (SC) state with Co doping, and the spin fluctuations also evolve from well-defined spin waves with spin gap in the AFM regime to gapless overdamped or diffused fluctuations in the SC regime. CaFe2As2 has a stronger magneto-elastic coupling than BaFe2As2 and no co-existence of SC and AFM region as observed in BaFe2As2 with Co doping. Here, we will discuss the evolution of spin fluctuations in CaFe2As2 with Co doping. Work at the Ames Laboratory was supported by US DOE, Basic Energy Sciences, Division of Material Sciences and Engineering, under contract No. DE-AC02-07CH11358. This research used resources of SNS, a DOE office of science user facility operated by ORNL.

The CR (Renazzo-type) carbonaceous chondrite group and its implications

NASA Technical Reports Server (NTRS)

Weisberg, Michael K.; Prinz, Martin; Clayton, Robert N.; Mayeda, Toshiko K.

1993-01-01

A petrologic, geochemical, and oxygen isotropic study of the CR chondrites including Renazzo, Al Rais, El Djouf 001 and the paired Acfer meteorites, EET87770 and the paired samples, MAC87320, Y790112, Y793495, and Y791498 is presented. It is concluded that the CR group is characterized by abundant large multilayered, Fe, Ni metal-rich, type I chondrules; abundant matrix and dark inclusions; unique assemblages of serpentine and chlorite-rich phyllosilicates and Ca-carbonates; Ca-carbonate rims on chondrules; abundant Fe, Ni metal with a positive Ni vs. Co trend and a solar Ni:Co ratio; and amoeboid olivine aggregates with Mn-rich and Mn-poor forsterite.

Flux variability in the K CA II and H-gamma lines of the AP stars 53 Cam, 41 Tau, Beta CrB, and Alpha(2) CVn

NASA Astrophysics Data System (ADS)

Kuvshinov, V. M.; Plachinda, S. I.

The rapid variability of the relative fluxes in the nuclei of the K Ca II and H-gamma lines of four typical Ap stars, 53 Cam, 41 Tau, Beta CrB, and Alpha(2) CVn, was studied during the period December 1979 - June 1980. Observations were carried out using the scanner-magnetograph of the 2.6-m reflector of the Crimean Astrophysical Observatory. In addition to relative flux variations with the phase of the axial rotation period of the stars, fluctuations of relative fluxes with characteristic times of several minutes to several hours were detected. The upper probability limit for such fluctuations, which are mostly irregular, is estimated at 35 percent for 53 Cam (K Ca II) and 56 percent for Alpha(2) CVn (H-gamma).

Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

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

Thompson, Daniel R.; Liu, Chang; Ellison, Nicole D.

2014-12-28

Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled Yb{sub x}Ba{sub y}Co{sub 4}Sb{sub 12} with ZT values around 1.1 at 750 K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique,more » has been recently claimed by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434–448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.« less

Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

DOE PAGES

Thompson, Daniel R.; Liu, Chang; Ellison, Nicole D.; ...

2014-12-28

Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled Yb xBa yCo 4Sb 12 with ZT values around 1.1 at 750K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique,more » has been recently claimed by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434-448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Finally, Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.« less

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

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

Resistivity and magnetic susceptibility studies of Tl[sub m]Ca[sub n[minus]1]Ba[sub 2]Cu[sub n]O[sub y] before and after doping with LiF

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

El-Hamalawy, A.A.; El-Zaidia, M.M.; Ammar, A.A.

1993-04-01

Measurements of the superconducting resistance as a function of temperature were performed using the conventional four-probe method. The transition to complete superconductivity was recorded for samples of (Tl[sub 2]Ca[sub 2]Ba[sub 2]Cu[sub 3]O[sub 10])[sub 100[minus]x]LiF[sub x] (2223) mixed with different LiF ratios x = 0, 2, 4, 5, 6, 8, 10, and 12wt.%. It was found that the transition temperature T[sub c] was increased up to 5 wt.% of LiF. Further addition of LiF decreases T[sub c]. Therefore, 5 wt.% LiF is the optimum concentration giving a transition temperature of 130 K. Measurements of the superconducting resistance of all the samplesmore » except the (1111) compound show that the addition of 5 wt.% LiF increases T[sub c] and decreases the metastable phases. The real part of the a.c. magnetic susceptibility [chi][sub a.c.] is studied using a zero-field cooled mechanism. The temperature dependence of [chi][sub a.c.] for the prepared TlBaCaCuO having stoichiometric composition of (1111), (2223), (2234), and (3245) and that after doping with 5 wt.% LiF showed a broad feature. The transition to the complete diamagnetic state takes place in a broad transition region containing many transition steps, indicating the presence of metastable phases. The addition of LiF decreases the fluctuation in the transition region and its effect in reducing the number of multiphases. 29 refs., 10 refs.« less

Crystal growth, differential gas adsorption, high thermal stability, and reversible coordination of two new barium-organic frameworks, Ba(SBA)(DMF){sub 4} and Ba{sub 2}(BTEC)(H{sub 2}O)

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

Halake, Shobha; Ok, Kang Min, E-mail: kmok@cau.ac.kr

2015-11-15

Single crystals of two barium-organic framework materials, Ba(SBA)(DMF){sub 4} (CAUMOF-15) and Ba{sub 2}(BTEC)(H{sub 2}O) (CAUMOF-16), have been grown through solvothermal reactions (H{sub 2}SBA=4,4′-sulfonyldibenzoic acid and H{sub 4}BTEC=1,2,4,5-benzenetetracarboxylic acid). The crystal structures of the reported frameworks have been determined by single-crystal X-ray diffraction. The materials have been fully characterized by powder X-ray diffraction (PXRD), elemental analyses, Infrared (IR) spectroscopy, and thermogravimetric analyses (TGA). CAUMOF-15 reveals a three-dimensional open-framework that comprises of an inorganic motif with one-dimensional chains and the SBA linkers. CAUMOF-16 shows another three-dimensional backbone consisting of layers of edge-shared BaO{sub 9} and BaO{sub 10} polyhedra, and BTEC pillars. Bothmore » of the 3D frameworks exhibit relatively high thermal stabilities. The PXRD and IR spectral data confirm that CAUMOF-15 and CAUMOF-16 reveal reversible coordinations of the respective solvent molecules, DMF and H{sub 2}O. Gas adsorption properties towards nitrogen, hydrogen, and carbon dioxide have been also investigated. - Graphical abstract: Crystals of two new barium-organic frameworks, Ba(SBA)(DMF){sub 4} and Ba{sub 2}(BTEC)(H{sub 2}O), exhibiting a differential gas adsorption, a high thermal stability, and a reversible coordination of solvent molecules have been grown. - Highlights: • Crystals of two new 3D Ba-MOFs are grown. • The two Ba-MOFs reveal very high thermal stabilities up to ca. 400 °C. • Ba(SBA)(DMF){sub 4} exhibits differential gas adsorption properties. • The two Ba-MOFs show reversible coordination of the solvent molecules.« less

Multi-isotope (C - O - S - H - B - Mg - Ca - Ba) and trace element variations along a vertical pore water profile across a brackish-fresh water transition, Baltic Sea

NASA Astrophysics Data System (ADS)

Böttcher, Michael E.; Lapham, Laura; Gussone, Nikolaus; Struck, Ulrich; Buhl, Dieter; Immenhauser, Adrian; Moeller, Kirsten; Pretet, Chloé; Nägler, Thomas F.; Dellwig, Olaf; Schnetger, Bernhard; Huckriede, Hermann; Halas, Stan; Samankassou, Elias

2013-04-01

The Holocene Baltic Sea has been switched several times between fresh water and brackish water modes. Modern linear sedimentation rates, based on 210-Pb, 137-Cs, and Hg dating of surface sediments, are between 0.1 and 0.2 mm per year. The change in paleo-environmental conditions caused downcore gradients in the concentrations of dissolved species from modern brackish waters towards fresh paleo-pore waters, interrupted by the brief brackish Yoldia stage. These strong physico-chemical changes had consequences for e.g., microbial activity and further physical and chemical water-solid interactions associated with multiple stable isotope fractionation processes, and, in turn, have strong implications for isotope and trace element partitioning upon early diagenetic mineral (trans)formations. In this communication, we present the results from the first integrated multi-isotope and trace element investigation conducted in this type of salinity-gradient system. It is found that concentrations of conservative elements (e.g., Na, Cl) decrease with depth due to diffusion of ions from brackish waters into underlying fresh waters. This is associated with pronounced depletions in H-2 and O-18 of pore water with depth. Covariations of both isotope systems are close to the meteoric water line as defined by modern Baltic Sea surface waters. A downward increase and decrease of Ca and Mg concentrations, respectively, is associated with decreasing Ca-44 and Mg-26 isotope values. B-11 isotope values decrease in the limnic part of the sediments, too. On the other hand, an increase in Ba concentrations with depth is associated with an increase in Ba-137/134 isotope values. Microbial sulfate reduction and organic matter oxidation lead to an increase in DIC, but a decrease in sulfate concentrations and in C-13 contents of DIC with depth. Suess (1981) was probably the first to propose, that desorption of Ca and Ba from glacial sediments due to downward diffusing ions may be responsible for a

Magnetodielectric effect in (1 - x)(Ba0.88Ca0.12)(Ti0.88Zr0.12)O3 - xCoFe2O4

NASA Astrophysics Data System (ADS)

Pan, Pengfei; Tao, Jin; Ma, Fusheng; Zhang, Ning

2018-05-01

Magnetodielectric (MD) materials have attracted considerable attention due to their intriguing physics and potential future applications. In this work, polycrystalline (1 - x)(Ba0.88Ca0.12)(Ti0.88Zr0.12)O3 - xCoFe2O4 (x = 0.10, 0.20, 0.30, 0.40) ceramic have been prepared via sol-gel method. The room temperature magnetic and ferroelectric behaviors of the synthesized composites were investigated. For the composite with x = 0.40, a MD ratio of 5.37% was achieved under a magnetic field of 1.5 T at f = 1 kHz. The measured "butterfly hysteresis" MD curves exhibit an obvious dielectric anomaly. Theoretical analysis suggests that the observed magnetodielectric effect is attributed to the magnetoresistance effect and magnetoelectric coupling.

Sr{sub 7}Ge{sub 6}, Ba{sub 7}Ge{sub 6} and Ba{sub 3}Sn{sub 2} -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge {pi}-bonding character

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

Siggelkow, Lisa; Hlukhyy, Viktor; Faessler, Thomas F., E-mail: thomas.faessler@lrz.tum.de

2012-07-15

The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} crystallize in the Ca{sub 7}Sn{sub 6} structure type (space group Pmna, Z=4: a=7.777(2) A, b=23.595(4) A, c=8.563(2) A, wR{sub 2}=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr{sub 7}Ge{sub 6} and a=8.0853(6) A, b=24.545(2) A, c=8.9782(8) A, wR{sub 2}=0.085 (all data), 2307 independent reflections, 64more » variable parameters for Ba{sub 7}Ge{sub 6}). Ba{sub 3}Sn{sub 2} crystallizes in an own structure type with the space group P4{sub 3}2{sub 1}2, Z=4, a=6.6854(2) A, c=17.842(2) A, wR{sub 2}=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, all germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The {pi}-bonding character of the germanides is best reflected by the resonance hybrid structures {l

Vacuum ultraviolet thin films. I - Optical constants of BaF2, CaF2, LaF3, MgF2, Al2O3, HfO2, and SiO2 thin films. II - Vacuum ultraviolet all-dielectric narrowband filters

NASA Technical Reports Server (NTRS)

Zukic, Muamer; Torr, Douglas G.; Spann, James F.; Torr, Marsha R.

1990-01-01

An iteration process matching calculated and measured reflectance and transmittance values in the 120-230 nm VUV region is presently used to ascertain the optical constants of bulk MgF2, as well as films of BaF2, CaF2, LaF3, MgF2, Al2O3, HfO2, and SiO2 deposited on MgF2 substrates. In the second part of this work, a design concept is demonstrated for two filters, employing rapidly changing extinction coefficients, centered at 135 nm for BaF2 and 141 nm for SiO2. These filters are shown to yield excellent narrowband spectral performance in combination with narrowband reflection filters.

Electron paramagnetic resonance of Nb-doped BaTiO3 ceramics with positive temperature coefficient of resistivity

NASA Astrophysics Data System (ADS)

Jida, Shin'suke; Miki, Toshikatsu

1996-11-01

Paramagnetic centers in Nb-doped BaTiO3 ceramics are measured at 77-500 K by electron paramagnetic resonance (EPR) for investigating the role of the centers on the well-known positive temperature coefficient of resistivity (PTCR) effect (PTCR at the Curie temperature). EPR detects four signals; an anisotropically broad singlet signal at g=2.005, a sextet signal due to Mn2+, a Cr3+ signal, and a Ti3+ signal. The former two signals arise in the rhombohedral and cubic phases, but disappear in the tetragonal and orthorhombic phases. The Cr3+ signal appears in all of the phases, while the Ti3+ signal is detected only at low temperatures. The singlet signal also arises in undoped, barium-deficient BaTiO3 ceramics, therefore the signal is attributable to barium-vacancy-associated centers rather than Nb4+ ions or Fe3+ ions proposed by several authors. In this article, we propose that the singlet signal is due to vacancy-pairs of VBa-F+ type, i.e., the vacancy pair of VBa-VO capturing one electron. The electrical resistivity data show a polaronic character of low-temperature conduction and a high resistivity jump around the Curie temperature. The low-temperature polaronic conduction is explained in terms of electron-hopping between Ti4+ and Ti3+ ions. The resistivity jump at the Curie temperature occurs along with the EPR intensity increase of the singlet signal, the Mn2+ signal and the Cr3+ signal. We conclude that the PTCR of Nb-doped BaTiO3 ceramics is strongly associated with the trap activation of the VBa-VO vacancy-pairs and manganese centers at the tetragonal-to-cubic transition.

Crystal chemistry of a Ba-dominant analogue of hydrodelhayelite and natural ion-exchange transformations in double- and triple-layer phyllosilicates in post-volcanic systems of the Eifel region, Germany

NASA Astrophysics Data System (ADS)

Zubkova, N. V.; Chukanov, N. V.; Pekov, I. V.; Turchkova, A. G.; Lykova, I. S.; Schüller, W.; Ternes, B.; Pushcharovsky, D. Yu.

2016-12-01

A Ba-dominant (Ba > K) analogue of hydrodelhayelite (BDAH) from Löhley (Eifel Mts., Rhineland-Palatinate, Germany) and Ba-enriched varieties of related double- and triple-layer phyllosilicates from Eifel are studied. The crystal structure of BDAH was solved by direct methods and refined to R = 0.0698 [1483 unique reflections with I > 2σ( I)]. It is orthorhombic, Pmmn, a = 23.9532(9), b = 7.0522(3), c = 6.6064(3) Å, V = 1115.97(8) Å3, Z = 2. The structure is based upon delhayelite-type double-layer tetrahedral blocks [(Al,Si)4Si12O34(OH,O)4] connected by chains of (Ca,Fe)-centered octahedra. Ba2+ and subordinate K+ occur at partially vacant sites in zeolitic channels within the tetrahedral blocks. The crystal-chemical formula of BDAH is: (Ba0.42K0.34□0.24)(Ca0.88Fe0.12)2(□0.90Mg0.10)2[Si6(Al0.5Si0.5)2O17(OH0.71O0.29)2]ṡ6H2O. The formation of BDAH and Ba-rich varieties of altered delhayelite/fivegite, günterblassite and hillesheimite is considered as a result of leaching of Na, Cl, F and, partially, K and Ca accompanied with hydration and the capture of Ba as a result of natural ion exchange. These minerals are structurally a "bridge" between single-layer phyllosilicates and zeolites having the open three-dimensional tetrahedral Al-Si-O frameworks.

Development of Ca2+ hotspots between Lymnaea neurons during synaptogenesis

PubMed Central

Feng, Zhong-Ping; Grigoriev, Nikita; Munno, David; Lukowiak, Ken; MacVicar, Brian A; Goldberg, Jeffrey I; Syed, Naweed I

2002-01-01

Calcium (Ca2+) channel clustering at specific presynaptic sites is a hallmark of mature synapses. However, the spatial distribution patterns of Ca2+ channels at newly formed synapses have not yet been demonstrated. Similarly, it is unclear whether Ca2+ ‘hotspots’ often observed at the presynaptic sites are indeed target cell contact specific and represent a specialized mechanism by which Ca2+ channels are targeted to select synaptic sites. Utilizing both soma–soma paired (synapsed) and single neurons from the mollusk Lymnaea, we have tested the hypothesis that differential gradients of voltage-dependent Ca2+ signals develop in presynaptic neuron at its contact point with the postsynaptic neuron; and that these Ca2+ hotspots are target cell contact specific. Fura-2 imaging, or two-photon laser scanning microscopy of Calcium Green, was coupled with electrophysiological techniques to demonstrate that voltage-induced Ca2+ gradients (hotspots) develop in the presynaptic cell at its contact point with the postsynaptic neuron, but not in unpaired single cells. The incidence of Ca2+ hotspots coincided with the appearance of synaptic transmission between the paired cells, and these gradients were target cell contact specific. In contrast, the voltage-induced Ca2+ signal in unpaired neurons was uniformly distributed throughout the somata; a similar pattern of Ca2+ gradient was observed in the presynaptic neuron when it was soma–soma paired with a non-synaptic partner cell. Moreover, voltage clamp recording techniques, in conjunction with a fast, optical differential perfusion system, were used to demonstrate that the total whole-cell Ca2+ (or Ba2+) current density in single and paired cells was not significantly different. However, the amplitude of Ba2+ current was significantly higher in the presynaptic cell at its contact side with the postsynaptic neurons, compared with non-contacted regions. In summary, this study demonstrates that voltage-induced Ca2+ hotspots

Syntheses, crystal structure, and electronic properties of the five ABaMQ{sub 4} compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4}

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

Mesbah, Adel; ICSM, UMR 5257 CEA / CNRS / UM / ENSCM, Site de Marcoule-Bâtiment 426, BP 17171, 30207 Bagnols-sur-Cèze Cedex; Prakash, Jai

Five new compounds belonging to the ABaMQ{sub 4} family were synthesized by solid-state chemistry at 1123 K. The compounds RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} are isostructural and have the TlEuPS{sub 4} structure type. They crystallize in space group D{sup 16}{sub 2h} – Pnma of the orthorhombic system. Their structure consists isolated MQ{sub 4} tetrahedra separated by A and Ba atoms to form a salt-like structure. Density Functional Theory (DFT) calculations of the electronic structures with the use of the HSE functional suggest that the compounds are semiconductors with calculated band gaps of 3.3 eVmore » (RbBaPS{sub 4}), 3.4 eV (CsBaPS{sub 4}), 2.3 eV (CsBaVS{sub 4}), and 1.6 eV (RbBaVSe{sub 4}). - Graphical abstract: General view of the ABaMQ{sub 4} structure down the a axis. - Highlights: • Five new ABaMQ{sub 4} compounds were synthesized by solid-state chemistry at 1123 K. • RbBaPS{sub 4}, CsBaPS{sub 4}, CsBaVS{sub 4}, RbBaVSe{sub 4}, and CsBaVSe{sub 4} have the TlEuPS{sub 4} structure type. • The compounds are semiconductors with calculated band gaps ranging from 1.6 to 3.4 eV.« less

Slurry Erosive Wear Evaluation of HVOF-Spray Cr2O3 Coating on Some Turbine Steels

NASA Astrophysics Data System (ADS)

Goyal, Deepak Kumar; Singh, Harpreet; Kumar, Harmesh; Sahni, Varinder

2012-09-01

In this study, Cr2O3 coatings were deposited on CF8M and CA6NM turbine steels by high-velocity oxy-fuel (HVOF)-spray process and analyzed with regard to their performance under slurry erosion conditions. High Speed Erosion Test Rig was used for slurry erosion tests, and the effects of three parameters, namely, average particle size, speed (rpm), and slurry concentration on slurry erosion of these materials were investigated. SEM micrographs on the surface of samples, before and after slurry erosion tests, were taken to study the erosion mechanism. For the uncoated steels, CA6NM steel showed better erosion resistance in comparison with CF8M steel. The HVOF-sprayed Cr2O3-coated CF8M and CA6NM steels showed better slurry erosion resistance in comparison with their uncoated counterparts. It may be due to the higher hardness as a result of HVOF-sprayed Cr2O3 coating in comparison with the uncoated CF8M and CA6NM steels.

Large linear magnetoresistance in a new Dirac material BaMnBi2

NASA Astrophysics Data System (ADS)

Wang, Yi-Yan; Yu, Qiao-He; Xia, Tian-Long

2016-10-01

Dirac semimetal is a class of materials that host Dirac fermions as emergent quasi-particles. Dirac cone-type band structure can bring interesting properties such as quantum linear magnetoresistance and large mobility in the materials. In this paper, we report the synthesis of high quality single crystals of BaMnBi2 and investigate the transport properties of the samples. BaMnBi2 is a metal with an antiferromagnetic transition at T N = 288 K. The temperature dependence of magnetization displays different behavior from CaMnBi2 and SrMnBi2, which suggests the possible different magnetic structure of BaMnBi2. The Hall data reveals electron-type carriers and a mobility μ(5 K) = 1500 cm2/V·s. Angle-dependent magnetoresistance reveals the quasi-two-dimensional (2D) Fermi surface in BaMnBi2. A crossover from semiclassical MR ˜ H 2 dependence in low field to MR ˜ H dependence in high field, which is attributed to the quantum limit of Dirac fermions, has been observed in magnetoresistance. Our results indicate the existence of Dirac fermions in BaMnBi2. Project supported by the National Natural Science Foundation of China (Grant No. 11574391), the Fundamental Research Funds for the Central Universities, and the Research Funds of Renmin University of China (Grant No. 14XNLQ07).

Temperature-controlled down-conversion luminescence behavior of Eu3+ -doped transparent MF2 (M = Ba, Ca, Sr) glass ceramics.

PubMed

Zhou, B; E, C Q; Bu, Y Y; Meng, L; Yan, X H; Wang, X F

2017-03-01

Eu 3 + -doped transparent glass ceramics containing MF 2 (M = Ba, Ca, Sr) nanocrystals were fabricated using a melt-quenching method, and the resulting structures were studied using X-ray diffraction. Levels 5 D 1 and 5 D 0 of Eu 3 + ions were verified as thermally coupled levels using the fluorescence intensity ratio method. The fluorescence intensity ratios, optical temperature sensitivity and thermal quenching ratios of the transparent glass ceramics were studied as a function of temperature. With an increase in temperature, the relative sensitivity (S R ) decreased sharply at first, then slowly increased, before finally decreasing. The minimum S R values of GCBaF 2 (GCB), GCCaF 2 (GCC) and GCSrF 2 (GCS) were 2.8 × 10 -4 , 0.8 × 10 -4 and 1.9 × 10 - 4  K -1 at 360, 269 and 319 K, respectively. Glass ceramics with an intense emission intensity can be used to convert the measured spectrum into temperature and may have an important role in temperature detectors. Copyright © 2016 John Wiley & Sons, Ltd.

Selective resputtering of bismuth in sputtered Bi-Sr-Ca-Cu-O films

NASA Astrophysics Data System (ADS)

Grace, J. M.; McDonald, D. B.; Reiten, M. T.; Olson, J.; Kampwirth, R. T.; Gray, K. E.

1991-10-01

We present studies using a dc magnetron in an on-axis configuration to sputter Bi-Sr-Ca-Cu-O films from a composite target. These studies show that bismuth can be preferentially resputtered. The influence of ozone, molecular oxygen, and total pressure on the resputtering of bismuth is investigated and discussed. Ozone, in low concentrations, can dramatically affect the degree of resputtering. By comparing the effects of molecular oxygen and ozone, some insight is gained regarding the possible mechanisms of negative ion formation in the magnetron environment. Based on our results we suggest that molecular oxygen can bring about resputtering primarily by forming O+2, which collides with the target to produce energetic negative oxygen ions. In contrast, ozone may form negative ions by electron impact in the dark space above the target, giving rise to lower-energy negative ions, which can traverse the plasma unneutralized and can be stopped with an applied bias on the sample block. With no added oxidant, negative oxygen ions from the target oxygen may dominate the background resputtering. Similarity is found between our results and those for similar studies on Y-Ba-Cu-O by other workers. Bismuth in Bi-Sr-Ca-Cu-O behaves as barium in Y-Ba-Cu-O with regards to preferential resputtering; furthermore, the response of strontium, calcium, and copper to oxygen in sputtered Bi-Sr-Ca-Cu-O is similar to what is observed for copper in Y-Ba-Cu-O.

Synthesis and characterization of Ca{sup 2+} substituted barium niobate nanopaticles for photocatalytic and luminescence applications

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

Dudhe, C.M.; Nagdeote, S.B.; Palikundwar, U.A., E-mail: chandraguptadudhe@gmail.com

2016-09-15

Highlights: • Nanoparticles of Ca{sup 2+} (30 mol%) substituted BaNb{sub 2}O{sub 6} were synthesized. • Ca{sup 2+} ions occupy newer 8d Wyckoff positions rather than 4c. • Self-activated photoluminescence was observed. • Excellent H{sub 2} generation tendency from pure water under UV light was also observed. - Abstract: Ca{sup 2+} substituted barium niobate i.e. Ca{sub x}Ba{sub 1-x}Nb{sub 2}O{sub 6} (x = 0.3) compound in nanoparticles form was synthesized by a simple co-precipitation method for the first time and its structural characterization has been done by using powder X-ray diffraction data. Other characterizations were done by using transmission electron microscopy, energymore » dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy and ultraviolet-visible spectroscopy. It was found that the Ca{sub x}Ba{sub 1-x}Nb{sub 2}O{sub 6} (x = 0.3) compound stabilizes in the orthorhombic phase (Pbcn space group) with the lattice parameters a = 14.984 Å, b = 5.761 Å and c = 5.216 Å. A representative TEM image shows the irregular sphere like morphology of the synthesized particles with the size ranging from 70 to 120 nm. The optical band gap energy was found to be 3.74 eV. It was observed that the synthesized nanoparticles exhibit excellent H{sub 2} evolution tendency and self–activated photoluminescence under the excitation of UV light. These activities were assigned to the nanocrystalline nature of the synthesized material.« less

(Cu,C)Ba2Ca3Cu4Ox (LiF)y: addition of LiF—an effective way to synthesize overdoped superconductor

NASA Astrophysics Data System (ADS)

Badica, P.; Iyo, A.; Aldica, G.; Kito, H.; Crisan, A.; Tanaka, Y.

2004-03-01

(Cu,C)Ba2Ca3Cu4Ox superconductor with addition of y mol LiF has been synthesized by a high-pressure method. For the same synthesis conditions it was found that (almost) single-phase Cu, C-1234 samples can be synthesized for yLiF = 0-0.1 if the amount of z mol AgO oxidizer is increased linearly from zAgO = 0.45 to 0.73 and for yLiF = 0.1-0.2 if zAgO = 0.73 = constant. Transport measurements (rgr(T) and room-temperature Seebeck coefficient) have shown that these samples are overdoped: LiF is an effective addition for synthesis of overdoped Cu, C-1234 with a controlled level of carriers. LiF addition continuously decreases Tc. The critical point at yLiF = 0.1 is discussed as the solubility limit of LiF and/or the point where the doping mechanism changes. It is proposed that the reason is the reaction of extra Li with C and O to form Li2CO3, inducing a lower concentration of C in Cu, C-1234/LiF crystals, and at the same time a possible substitution of Li not only for the Cu site but also for the Ca site, resulting in formation of a higher amount of residual Ca0.828CuO2 (for yLiF>0.1). LiF induces the formation of a liquid phase and acts as a flux promoting the formation of Cu,C-12 (n-1)n with n \\ge 4 . LiF modifies to some degree the grain growth from a 3D to a 2D type (thinner platelike grains have been observed in the LiF added samples).

Dielectric and ferroelectric properties of Ba0.87Ca0.10La0.03Ti1-xSnxO3 lead-free ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Fang, Chang; Qiu, Jian-hua; Ding, Jian-ning; Zhu, Wei-qin; Xu, Jiu-jun

2017-12-01

Ba0.87Ca0.10La0.03Ti1-xSnxO3 (BCLTS) piezoelectric lead-free ceramics were fabricated by conventional solid-state sintering process at 1480 °C. The effects of Sn4+ substitution on microstructure and electrical properties of the ceramics were researched. All samples show a pure perovskite structure with no secondary phase, and the coexistence of orthorhombic phase and tetragonal phase in the composition range of x = 0.06-0.10 is identified in the XRD pattern. Average grain size decreases with the increase of Sn content in the BCLTS samples. The BCLTS ceramics exhibit excellent piezoelectric properties and ferroelectric properties with d33 = 501pC/N and kp = 45.6% at x = 0.10, and Pr = 9.87 μC/cm2 at x = 0.06. The analysis on the temperature dependence of dielectric permittivity approved the diffuse relaxor ferroelectric feature for all the BCLTS samples.

Method of making highly sinterable lanthanum chromite powder

DOEpatents

Richards, Von L.; Singhal, Subhash C.

1992-01-01

A highly sinterable powder consisting essentially of LaCrO.sub.3, containing from 5 weight % to 20 weight % of a chromite of dopant Ca, Sr, Co, Ba, or Mg and a coating of a chromate of dopant Ca, Sr, Co, Ba, or Mg; is made by (1) forming a solution of La, Cr, and dopant; (2) heating their solutions; (3) forming a combined solution having a desired ratio of La, Cr, and dopant and heating to reduce solvent; (4) forming a foamed mass under vacuum; (5) burning off organic components and forming a charred material; (6) grinding the charred material; (7) heating the char at from 590.degree. C. to 950 C. in inert gas containing up to 50,000 ppm O.sub.2 to provide high specific surface area particles; (8) adding that material to a mixture of a nitrate of Cr and dopant to form a slurry; (9) grinding the particles in the slurry; (10) freeze or spray drying the slurry to provide a coating of nitrates on the particles; and (11) heating the coated particles to convert the nitrate coating to a chromate coating and provide a highly sinterable material having a high specific surface area of over 7 m.sup.2 /g.

Method of making highly sinterable lanthanum chromite powder

DOEpatents

Richards, V.L.; Singhal, S.C.

1992-09-01

A highly sinterable powder consisting essentially of LaCrO[sub 3], containing from 5 weight % to 20 weight % of a chromite of dopant Ca, Sr, Co, Ba, or Mg and a coating of a chromate of dopant Ca, Sr, Co, Ba, or Mg; is made by (1) forming a solution of La, Cr, and dopant; (2) heating their solutions; (3) forming a combined solution having a desired ratio of La, Cr, and dopant and heating to reduce solvent; (4) forming a foamed mass under vacuum; (5) burning off organic components and forming a charred material; (6) grinding the charred material; (7) heating the char at from 590 C to 950 C in inert gas containing up to 50,000 ppm O[sub 2] to provide high specific surface area particles; (8) adding that material to a mixture of a nitrate of Cr and dopant to form a slurry; (9) grinding the particles in the slurry; (10) freeze or spray drying the slurry to provide a coating of nitrates on the particles; and (11) heating the coated particles to convert the nitrate coating to a chromate coating and provide a highly sinterable material having a high specific surface area of over 7 m[sup 2]/g. 2 figs.

A EUropean study on effectiveness and sustainability of current Cardiac Rehabilitation programmes in the Elderly: Design of the EU-CaRE randomised controlled trial.

PubMed

Prescott, Eva; Meindersma, Esther P; van der Velde, Astrid E; Gonzalez-Juanatey, Jose R; Iliou, Marie Christine; Ardissino, Diego; Zoccai, Giuseppe Biondi; Zeymer, Uwe; Prins, Leonie F; Van't Hof, Arnoud Wj; Wilhelm, Matthias; de Kluiver, Ed P

2016-10-01

Cardiac rehabilitation (CR) is an evidence-based intervention to increase survival and quality of life. Yet studies consistently show that elderly patients are less frequently referred to CR, show less uptake and more often drop out of CR programmes. The European study on effectiveness and sustainability of current cardiac rehabilitation programmes in the elderly (EU-CaRE) project consists of an observational study and an open prospective, investigator-initiated multicentre randomised controlled trial (RCT) involving mobile telemonitoring guided CR (mCR). The aim of EU-CaRE is to map the efficiency of current CR of the elderly in Europe, and to investigate whether mCR is an effective alternative in terms of efficacy, adherence and sustainability. The EU-CaRE study includes patients aged 65 years or older with ischaemic heart disease or who have undergone heart valve surgery. A total of 1760 patients participating in existing CR programmes in eight regions of Europe will be included. Of patients declining regular CR, 238 will be included in the RCT and randomised in two study arms. The experimental group (mCR) will receive a personalised home-based programme while the control group will receive no advice or coaching throughout the study period. Outcomes will be assessed after the end of CR and at 12 months follow-up. The primary outcome is VO 2peak and secondary outcomes include variables describing CR uptake, adherence, efficacy and sustainability. The study will provide important information to improve CR in the elderly. The EU-CaRE RCT is the first European multicentre study of mCR as an alternative for elderly patients not attending usual CR. © The European Society of Cardiology 2016.

Large Electrocaloric Effect in Lead-Free (Ba0.85Ca0.15)(Zr0.1Ti0.9)O₃ Ceramics Prepared via Citrate Route.

PubMed

Shi, Jing; Zhu, Rongfeng; Liu, Xing; Fang, Bijun; Yuan, Ningyi; Ding, Jianning; Luo, Haosu

2017-09-18

The 1 wt % Li-doped (Ba 0.85 Ca 0.15 )(Zr 0.1 Ti 0.9 )O₃ (BCZT-Li) ceramics prepared by the citrate method exhibit improved phase purity, densification and electrical properties, which provide prospective possibility to develop high-performance electrocaloric materials. The electrocaloric effect was evaluated by phenomenological method, and the BCZT-Li ceramics present large electrocaloric temperature change ∆ T , especially large electrocaloric responsibility ξ = ∆ T max /∆ E max , which can be comparable to the largest values reported in the lead-free piezoelectric ceramics. The excellent electrocaloric effect is considered as correlating with the coexistence of polymorphic ferroelectric phases, which are detected by the Raman spectroscopy. The large ξ value accompanied by decreased Curie temperature (around 73 °C) of the BCZT-Li ceramics prepared by the citrate method presents potential applications as the next-generation solid-state cooling devices.

Experimental Evaluation of the Synthetic Solid Electrolyte Interface (SSEI) Concept for the Primary Ca-SOCl2 Battery System

DTIC Science & Technology

1988-12-01

coatings based on the Ca(Sr,Y)- Ge-S system can serve as an effective SSEI for Ca anodes in Ca-SOC12 primary cells using 1 M Ca(AlCl4 )2 as the electrolyte...I iy - LFI. CDY 4 EXPERIMENTAL EVALUATION OF THE SYNTHETIC SOLID ELECTROLYTE INTERFACE ( SSEI ) CONCEPT FOR THE PRIMARY Ca-SOC1 2 BA LERY SYSTEM...apply the concept of a synthetic solid electrolyte interface ( SSEI ) to overcome the problem of Ca corro- sion in Ca-SOC 2 primary cells. / To this end

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

Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.

Here, crystals of SrMn 2Sb 2 and BaMn 2Sb 2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ, heat capacity C p, and magnetic susceptibility χ measurements versus temperature T, and magnetization versus field M(H) isotherm measurements. SrMn 2Sb 2 adopts the trigonal CaAl 2Si 2-type structure, whereas BaMn 2Sb 2 crystallizes in the tetragonal ThCr 2Si 2-type structure. The ρ(T) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn 2Sb 2 and 0.16 eV for BaMn 2Sb 2. The χ(T) andmore » C p(T) data reveal antiferromagnetic (AFM) ordering at T N = 110 K for SrMn 2Sb 2 and 450 K for BaMn 2Sb 2. The anisotropic χ(T≤T N) data also show that the ordered moments in SrMn 2Sb 2 are aligned in the hexagonal ab plane, whereas the ordered moments in BaMn 2Sb 2 are aligned collinearly along the tetragonal c axis. The ab-plane M(H) data for SrMn 2Sb 2 exhibit a continuous metamagnetic transition at low fields 02Sb 2 exhibits no metamagnetic transitions up to 5.5 T. The χ(T) and C p(T) data for both SrMn 2Sb 2 and BaMn 2Sb 2 indicate strong dynamic short-range AFM correlations above their respective T N up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl 2Si 2 and ThCr 2Si 2 crystal structures show that the T N values for the CaAl 2Si 2-type compounds are much smaller than those for the ThCr 2Si 2-type materials.« less

Electric-field control of electronic transport properties and enhanced magnetoresistance in La0.7Sr0.3MnO3/0.5BaZr0.2Ti0.8O3-0.5Ba0.7Ca0.3TiO3 lead-free multiferroic structures

NASA Astrophysics Data System (ADS)

Yan, Jian-Min; Gao, Guan-Yin; Liu, Yu-Kuai; Wang, Fei-Fei; Zheng, Ren-Kui

2017-10-01

We report the fabrication of lead-free multiferroic structures by depositing ferromagnetic La0.7Sr0.3MnO3 (LSMO) polycrystalline films on polished 0.5BaZr0.2Ti0.8O3-0.5Ba0.7Ca0.3TiO3 (BZT-BCT) piezoelectric ceramic substrates. By applying electric fields to the BZT-BCT along the thickness direction, the resistivity of LSMO films can be effectively manipulated via the piezoelectric strain of the BZT-BCT. Moreover, the LSMO polycrystalline films exhibit almost temperature independent and significantly enhanced magnetoresistance (MR) below TC. At T = 2 K and H = 8 T, the MR of polycrystalline films is approximately two orders of magnitude higher than that of LSMO epitaxial films grown on (LaAlO3)0.3(SrAl1/2Ta1/2O3)0.7 single-crystal substrates. The enhanced MR mainly results from the spin-polarized tunneling of charge carriers across grain boundaries. The LSMO/BZT-BCT structures with electric-field controllable modulation of resistivity and enhanced MR effect may have potential applications in low-energy consumption and environmentally friendly electronic devices.

Properties of the low threshold Ca current in single frog atrial cardiomyocytes. A comparison with the high threshold Ca current

PubMed Central

1992-01-01

The properties of the low threshold Ca current (ICaT) in bullfrog (Rana catesbeiana) isolated atrial cardiomyocytes were studied using the whole-cell recording patch-clamp technique and compared with those of the high threshold Ca current (ICaL). In 91% of atrial cells we observed both ICaT and ICaL when collagenase and trypsin were used to dissociate the cells. But when pronase was used, only 30% of the cells exhibited ICaT. ICaT was never found in ventricular cells. ICaT could be investigated more easily when ICaL was inhibited by Cd ions (50 microM). Its kinetics were unchanged by substituting Ba for Ca, or in the presence of high concentrations of Ba. Both ICaT and ICaL exhibited reduced inactivation after high depolarizing prepulses. ICaT was found to be sensitive to dihydropyridines: 1 microM nifedipine decreased this current while 1 microM BAY K 8644 increased it; this occurred without significant variations in the steady-state inactivation curve. ICaT was more sensitive than ICaL to alpha 1-adrenergic and P2-purinergic stimulations, while ICaL was more sensitive to beta-adrenergic stimulation. Isoproterenol was still able to increase ICaT in the presence of high intracellular cAMP. Both currents were increased by 1 microM ouabain (although ICaL only transiently) and decreased by 10 microM ouabain. It is concluded that the two types of Ca channels can be observed in bullfrog atrial cells and that they are specifically altered by pharmacological agents and neuromediators. This may have implications for cardiac behavior. PMID:1279097

Trace elements distribution in hawksbill turtle (Eretmochelys imbricata) and green turtle (Chelonia mydas) tissues on the northern coast of Bahia, Brazil.

PubMed

de Macêdo, Gustavo R; Tarantino, Taiana B; Barbosa, Isa S; Pires, Thaís T; Rostan, Gonzalo; Goldberg, Daphne W; Pinto, Luis Fernando B; Korn, Maria Graças A; Franke, Carlos Roberto

2015-05-15

Concentrations of elements (As, Al, Ba, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Mg, Mn, Mo, Na, Ni, Pb, Sb, Se, Sr, V, Zn) were determined in liver, kidneys and bones of Eretmochelys imbricata and Chelonia mydas specimens found stranded along the northern coast of Bahia, Brazil. Results showed that the concentrations of Cd, Cu, Ni and Zn in the liver and kidneys of juvenile C. mydas were the highest found in Brazil. We also observed a significant difference (p<0.05) on the bioaccumulation of trace elements between the two species: Al, Co, Mo, Na and Se in the liver; Al, Cr, Cu, K, Mo, Ni, Pb, Sr and V in the kidneys; and Al, Ba, Ca, Cd, Mn, Ni, Pb, Se, Sr and V in the bones. This study represents the first report on the distribution and concentration of trace elements in E. imbricata in the Brazilian coast. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optical properties of A Fe 2 As 2 ( A = Ca , Sr, and Ba) single crystals

DOE PAGES

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

2016-11-23

The detailed optical properties have been determined for the iron-based materials A Fe 2 As 2 , where A = Ca , Sr, and Ba, for light polarized in the iron-arsenic (a-b) planes over a wide frequency range, above and below the magnetic and structural transitions at T N = 138 , 195, and 172 K, respectively. The real and imaginary parts of the complex conductivity are fit simultaneously using two Drude terms in combination with a series of oscillators. Above T N, the free-carrier response consists of a weak, narrow Drude term, and a strong, broad Drude term, both of which show only a weak temperature dependence. Below T N there is a slight decrease of the plasma frequency but a dramatic drop in the scattering rate for the narrow Drude term, and for the broad Drude term there is a significant decrease in the plasma frequency, while the decrease in the scattering rate, albeit significant, is not as severe. The small values observed for the scattering rates for the narrow Drude term for Tmore » $$\\ll$$ T N may be related to the Dirac conelike dispersion of the electronic bands. Below T N new features emerge in the optical conductivity that are associated with the reconstruction Fermi surface and the gapping of bands at Δ 1 ≃ 45 – 80 meV, and Δ 2 ≃ 110 – 210 meV. In conclusion, the reduction in the spectral weight associated with the free carriers is captured by the gap structure; specifically, the spectral weight from the narrow Drude term appears to be transferred into the low-energy gap feature, while the missing weight from the broad term shifts to the high-energy gap.« less

Sensitive and selective detection of trivalent chromium using Hyper Rayleigh Scattering with 5,5'-dithio-bis-(2-nitrobenzoic acid)-modified gold nanoparticles.

PubMed

Hughes, Shantelle I; Dasary, Samuel S R; Singh, Anant K; Glenn, Zachery; Jamison, Hakim; Ray, Paresh C; Yu, Hongtao

2013-03-01

Hyper Rayleigh Scattering (HRS) and absorption spectral assays using surface-modified gold nanoparticles (AuNP) have been developed for sensitive and selective detection of trivalent chromium (Cr 3+ ) from other metal ions including hexavalent chromium (as Cr 2 O 7 2- ). Gold nanoparticles of 13 nm, covalently attached with 5,5'-dithio- bis -(2-nitrobenzoic acid) (AuNP-DTNBA), is used as a probe for both the absorption and HRS assays. AuNP-DTNBA is able to detect Cr 3+ at 20 ppb level at pH 6.0 using absorption spectral change of the AuNP-DTNBA. Visible color change can be observed when mixed with 250 ppb of Cr 3+ , while there is no color change when mixed with 2 ppm level of some of the most common metal ions such as Cr 2 O 7 2- , Hg 2+ , Ba 2+ , Fe 3+ , Pb 2+ , Na + , Zn 2+ , Cd 2+ , Co 2+ , Mn 2+ , Ca 2+ , and Ni 2+ . However, a color change is observed when mixed with Ni 2+ , Zn 2+ , and Cd 2+ at a concentration higher than 2 ppm. The detection limit for the HRS assay is on a remarkable 25 ppt level, and there is no detectable HRS signal at 2 ppm level for Cr 2 O 7 2- , Hg 2+ , Ba 2+ , Fe 3+ , Pb 2+ , Na + , Zn 2+ , Cd 2+ , Co 2+ , Mn 2+ , Ca 2+ , and Ni 2+ .

Raman-Spektren der Hexathiohypodiphosphate des NH4, Mg, Ca, Sr und Ba

NASA Astrophysics Data System (ADS)

Pätzmann, Ulrich; Brockner, Wolfgang

1987-06-01

The title compounds have been prepared and their Raman spectra recorded. The observed frequencies of (NH4)4P2S6 and Mg2P2S6 are assigned on the basis of P2S64- units with D3d symmetry. The Raman spectra of the Calcium, Strontium and Barium compounds indicate symmetry splitting, therefore the P2S64- frequencies are assigned with C2h symmetry. This assignment is supported by the correlation D3d → C2h. It is concluded that Sr2P2S6 and Ba2P2S6 crystallize in the monoclinic modification II.

Ba3M Ir2O9 hexagonal perovskites in the light of spin-orbit coupling and local structural distortions

NASA Astrophysics Data System (ADS)

Nag, Abhishek; Bhowal, Sayantika; Bert, F.; Hillier, A. D.; Itoh, M.; Carlomagno, Ilaria; Meneghini, C.; Sarkar, T.; Mathieu, R.; Dasgupta, I.; Ray, Sugata

2018-02-01

Spin-orbit coupling (SOC) is found to be crucial for understanding the magnetic and electronic properties of 5 d transition metal oxides. In 5 d systems, with Ir5 + ions, where ideally a nonmagnetic J =0 ground state is expected to be stabilized in the presence of strong SOC, often spontaneous moments are generated due to hopping induced superexchange. This effect is more pronounced when the Ir atoms are close by, as in systems with Ir2O9 dimers in 6 H Ba3M Ir2O9 compounds where magnetism is an outcome of complex Ir-O-Ir exchange paths, and is strongly influenced by the presence of local distortions. We find that subtle variations in the local structure of Ba3M Ir2O9 (M = Mg, Sr, and Ca) lead to markedly different magnetic properties. While SOC plays a pivotal role in explaining the insulating ground states of these systems, it is seen that Ba3MgIr2O9 , having a P 63 /m m c symmetry, does not order down to low temperature despite having antiferromagnetic exchange interactions, while Ba3CaIr2O9 shows weak dimer-like features and stabilizes in C 2 /c' magnetic configuration with no net moment, and Ba3SrIr2O9 possesses a ground state corresponding to the magnetic space group C 2'/c' and exhibits ferromagnet-like features.

Trace Element Partitioning Between low-Ca Pyroxene and Ultracalcic Liquids.

NASA Astrophysics Data System (ADS)

Pertermann, M.; Schmidt, M. W.; Pettke, T.

2003-12-01

Low-Ca pyroxene or pigeonite ( ˜0.25-0.35 Ca per formula unit, pfu) is an important residual phase during high temperature melting of refractory mantle (e.g., ankaramite formation). High-Ca cpx (>0.6-0.7 Ca pfu) may be residual to relatively low temperature melting of fertile mantle (MOR and OI), but the opx-cpx solvus narrows considerably at higher temperatures (>1330-1350° C), leading to coexisting opx and low-Ca cpx. Little is known about the trace element partitioning of such low-Ca cpx at upper mantle conditions. Our new partitioning experiments investigate the role of low-Ca cpx during melting of depleted peridotite. Nominally anhydrous experiments with graphite-lined Pt-capsules were conducted at 1.4 GPa and 1360-1370° C. The synthetic starting material is close in composition to an ultracalcic liquid saturated in opx+pigeonite+olivine+spinel. The experiments yielded assemblages of glass, low-Ca cpx, ol, and minor Cr-spinel; opx is absent. The low-Ca clinopyroxenes have 0.20 and 0.32 Ca pfu at 1370 and 1360° C, respectively, and tetrahedral Al of 0.046 and 0.067 pfu. The liquids have ˜50 wt% SiO2, ˜12.5 wt% CaO and CaO/Al2O3 of 1.44-1.54. Pyroxenes and glasses were analyzed for trace elements (La, Ce, Nd, Sm, Eu, Gd, Dy, Er Yb, Lu, Sc, Y, Sr, Zr, Hf, V, Cr, Mn, Co, Zn) by LA-ICP-MS using a 193 nm ArF excimer laser coupled to an Elan 6100 mass spectrometer. Ablation occurred in He, and ablation spot sizes were 15-30 μ m for minerals and 50 μ m for glasses. Trace element concentrations in pyroxenes were low for most 3+ and 4+ cations. This resulted in small mineral/melt partition coefficients (D-values), approximately an order of magnitude lower than those for high-Ca cpx associated with peridotite melting, thus making the low-Ca cpx partitioning behavior rather similar to the behavior of peridotitic opx. Cpx with 0.32 Ca pfu has slightly elevated D-values for 3+ cations when compared to the 0.20 Ca pfu cpx: DSc = 0.45, DY = 0.11, DSm = 0.054 and DYb

Temperature dependence of the distribution of the thermally activated energy barriers in Tl2Ba2CaCu2O8 film

NASA Astrophysics Data System (ADS)

Ren, C.; Lin, F. Y.; Ding, S. Y.; Li, Z. M.; Aruna, S. A.; Qiu, L.; Yao, X. X.; Yan, S. L.; Si, M. S.

1999-06-01

The effects of frequency and ac amplitude on ac susceptibility have been measured for a thin Tl2Ba2CaCu2O8 film in the range 100 Hz-100 kHz in magnetic field 0.52 T. A phenomenological equation with an asymmetrical distribution of thermally activated energy barriers has been used to analyse these frequency and amplitude dependences of the ac susceptibility icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/>(icons/Journals/Common/omega" ALT="omega" ALIGN="TOP"/>,hac) in the vicinity of the peak temperature of icons/Journals/Common/chi" ALT="chi" ALIGN="TOP"/>´´. We obtain the effective energy barrier U against amplitude hac (current density j): Uicons/Journals/Common/propto" ALT="propto" ALIGN="TOP"/> hac-0.38. This U(j) relationship shows that the flux lines are in the 3D collective creep regime. Therefore, we conclude that the effective energy barrier is in fact an average of the barrier's distribution, and the distribution function is a distinguished asymmetrical one in this 3D collective creep regime.

Evidence for Weakly Correlated Oxygen Holes in the Highest-Tc Cuprate Superconductor HgBa2 Ca2 Cu3 O8 +δ

NASA Astrophysics Data System (ADS)

Chainani, A.; Sicot, M.; Fagot-Revurat, Y.; Vasseur, G.; Granet, J.; Kierren, B.; Moreau, L.; Oura, M.; Yamamoto, A.; Tokura, Y.; Malterre, D.

2017-08-01

We study the electronic structure of HgBa2 Ca2 Cu3 O8 +δ (Hg1223; Tc=134 K ) using photoemission spectroscopy (PES) and x -ray absorption spectroscopy (XAS). Resonant valence band PES across the O K edge and Cu L edge identifies correlation satellites originating in O 2 p and Cu 3 d two-hole final states, respectively. Analyses using the experimental O 2 p and Cu 3 d partial density of states show quantitatively different on-site Coulomb energy for the Cu site (Ud d=6.5 ±0.5 eV ) and O site (Up p=1.0 ±0.5 eV ). Cu2 O7 -cluster calculations with nonlocal screening explain the Cu 2 p core level PES and Cu L -edge XAS spectra, confirm the Ud d and Up p values, and provide evidence for the Zhang-Rice singlet state in Hg1223. In contrast to other hole-doped cuprates and 3 d -transition metal oxides, the present results indicate weakly correlated oxygen holes in Hg1223.

Structural and impedance spectroscopy properties of La0.8Ba0.1Ca0.1Mn1-xRuxO3 perovskites

NASA Astrophysics Data System (ADS)

Chebaane, M.; Talbi, N.; Dhahri, A.; Oumezzine, M.; Khirouni, K.

2017-03-01

Polycrystalline samples La0.8Ba0.1Ca0.1Mn1-xRuxO3 (x=0 and 0.075) were prepared by sol-gel-based Pechini method. The X ray diffraction study has shown that all the samples exhibit a single phase with rhombohedral structure (space group R 3 ̅c, no. 167). The complex impedance has been investigated in the temperature range 160-320 K and in the frequency range 40 Hz-1 MHz. The imaginary part of the complex impedance (Z‧‧) frequency dependence revealed one relaxation peak. The Cole-Cole plots of the impedance values exhibited a semi -circular arc that can be described by an R1+(R2//ZCPE) electrical equivalent circuit. The conductance spectra have been investigated by the Jonscher universal power law: G(ω)=GDC+Aωn, where ω is the frequency of the ac field, and n is the exponent. The activation energy obtained both from the conductance and from time relaxation analyses are very similar, and hence the relaxation process may be attributed to the same type of charge carriers.

Optimisation of growth of epitaxial Tl 2Ba 2Ca 1Cu 2O 8 superconducting thin films for electronic device applications

NASA Astrophysics Data System (ADS)

Michael, Peter C.; Johansson, L.-G.; Bengtsson, L.; Claeson, T.; Ivanov, Z. G.; Olsson, E.; Berastegui, P.; Stepantsov, E.

1994-12-01

Epitaxial thin films of Tl 2Ba 2Ca 1Cu 2O 8 (Tl-2212) superconductor have been grown on single crystal (100) lanthanum aluminate (LaAlO 3) substrates by a two stage process: laser ablation of a BaCaCuO (0212) sintered target and post-deposition anneal ex-situ in a thallium environment. The films are c-axis oriented with in-plane epitaxy as determined by x-ray diffraction (XRD θ-2θ and φ-scans). Superconducting transition temperatures as high as 105.5K have been obtained both from four-probe resistance and a.c. magnetic susceptibility measurements. Film morphology and chemical composition have been assessed by scanning electron microscopy (SEM) and energy dispersive x-ray analysis (EDX). Sensitivity of the precursor film to environmental exposure has proven to be a determining factor in the reproducibility of film growth characteristics. The effect of oxygen partial pressure and substrate temperature used in the precursor film synthesis, as well as the thallium annealing temperature and duration, on the growth of Tl-2212 thin films is reported.

Hydrogen impurity effects. A

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

Leon-Escamilla, E. Alejandro; Corbett, John D.

2001-06-01

All of the binary systems Ca, Sr, Ba, or Eu (A) with Tt (tetrel) = Si or Ge as well as Sr-Sn form both binary Cr{sub 5}B{sub 3}-type A{sub 5}Tt{sub 3} phases and the corresponding ternary hydrides with stuffed Cr{sub 5}B{sub 3}- (Ca{sub 5}Sn{sub 3}F-) type structures. All of those tested, Ca-Si, Ba-Si, Ca-Ge, also yield the isotypic A{sub 5}Tt{sub 3}F{sub x} phases. The tetragonal structures of Ca{sub 5}Si{sub 3}, Ca{sub 5}Si{sub 3}F{sub 0.42}, Sr{sub 5}Si{sub 3}, Eu{sub 5}Si{sub 3}H{sub x}, Ca{sub 5}Ge{sub 3}, Ca{sub 5}Ge{sub 3}H{sub x}, Ca{sub 5}Ge{sub 3}F{sub 0.66} (I4/mcm, No. 140) and of Ba{sub 5}Si{sub 3}F{submore » 0.16} (P4/ncc, Ba{sub 5}Si{sub 3}-type) were refined from single-crystal X-ray diffraction data. The interstitial H, F atoms are bound in a constricted tetrahedral (A{sup 2+}){sub 4} cavity in the Cr{sub 5}B{sub 3}-type heavy atom structure, which can be described ideally as (A{sup 2+}){sub 5}(Tt{sub 2}){sup 6{minus}}(Tt){sup 4{minus}}. Many of 14 previous reports of the phases reported here were apparently hydrides according to lattice constant differences or, for Sr{sub 5}Si{sub 3}, the fractional coordinates of Sr2 about the tetrahedral site. An articulated model is developed that allows description of the relationship between the dimensions of the tetrahedral interstitial site and the cation cavity about Tt{sub 2} and for some matrix effects in this structure type. The model suggests limitations on the stability of these binary A{sub 5}Tt{sub 3} compounds for the heavier tetrels, as observed. The resistivities of Ca{sub 5}Ge{sub 3} and Ca{sub 5}Ge{sub 3}H{sub x} are both characteristic of poor metals, and Pauli-like magnetic susceptibilities are exhibited by Ca{sub 5}Ge{sub 3}, Ca{sub 5}Ge{sub 3}H{sub x}, Ca{sub 5}Ge{sub 3}F{sub 0.66}, Sr{sub 5}Ge{sub 3}, and Sr{sub 5}Sn{sub 3}. The characteristic ideal Tt{sub 2}{sup 6{minus}} dimers are evidently not realistic descriptions for these phases; rather, at least some of the {pi}*{sup 4

A Synthetic Calcite Standard for Determination of Relative Mn/Cr Sensitivity Factor

NASA Astrophysics Data System (ADS)

Fujiya, W.; Ichimura, K.; Takahata, N.; Sugiura, N.; Sano, Y.

2009-12-01

Primitive chondrites which suffered from aqueous alteration often contain carbonates such as calcites, dolomites and breunnerites. 53Mn-53Cr decay system (half-life: 3.7 Myr) is applicable to dating their precipitation and many authors have measured their Mn-Cr ages using the SIMS. However, the relative Mn/Cr sensitivity factor: RSF (measured Mn+/Cr+ ratio divided by the true ratio) is not well established due to the absence of suitable standards, therefore the ages have systematic uncertainties. We prepared a synthetic Mn and Cr bearing calcite to evaluate the Mn/Cr RSF. Here we report the technical details of preparation for the standard and its Mn/Cr RSF. We also measured the Mn/Cr RSF of San Carlos olivine which is often assumed to be the same as that of a carbonate, and compared it with that of our synthetic calcite. The Cr-bearing calcite was produced in a N2 filled closed system by the reaction Ca2+ + CO32- = CaCO3 in an aqueous solution. The reaction proceeded by continuous addition of ammonium carbonate vapor to the solution. The crystal size of the calcite was ~300 μm. A small amount of hydrazine was added to the solution in order to keep chromous ion from oxidation. Mn and Cr concentrations in the calcite grains were determined by the SEM-EDS. A weak, defocused beam was used due to prevent electron beam damage. In a spherical grain, radial zoning of Mn and Cr concentrations occur and they decrease towards the periphery. At the center of the grains, Mn and Cr concentrations are ~0.5 atomic % and the values of the Mn/Cr ratios are relatively constant. The Mn/Cr RSF was determined with the CAMECA NanoSIMS 50 at Ocean Research Institute of Univ. of Tokyo. A primary O- beam of ~1 nA and 5 μm diameter was used. 43Ca+, 52Cr+, 53Cr+ and 55Mn+ ions were analyzed in a combined peak-jumping/multi-detection mode. The total measurement time was typically ~20 minutes. The measurements were started after presputtering of 15 minutes. The mass resolution power was

Itinerant G-type antiferromagnetic order in SrCr 2 As 2

DOE PAGES

Das, Pinaki; Sangeetha, N. S.; Lindemann, George R.; ...

2017-07-07

Here, neutron-diffraction and magnetic susceptibility studies of polycrystalline SrCr 2As 2 reveal that this compound is an itinerant G-type antiferromagnet below the Néel temperature T N = 590(5) K with the Cr magnetic moments aligned along the tetragonal c axis. The system remains tetragonal to the lowest measured temperature (~12 K). The lattice parameter ratio c/a and the magnetic moment saturate at about the same temperature below ~200 K, indicating a possible magnetoelastic coupling. The ordered moment μ = 1.9(1)μ B/Cr, measured at T = 12 K, is significantly reduced compared to its localized value (4μ B/Cr) due to themore » itinerant character brought about by hybridization between the Cr 3d and As 4p orbitals.« less

Itinerant G-type antiferromagnetic order in SrCr 2 As 2

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

Das, Pinaki; Sangeetha, N. S.; Lindemann, George R.

Here, neutron-diffraction and magnetic susceptibility studies of polycrystalline SrCr 2As 2 reveal that this compound is an itinerant G-type antiferromagnet below the Néel temperature T N = 590(5) K with the Cr magnetic moments aligned along the tetragonal c axis. The system remains tetragonal to the lowest measured temperature (~12 K). The lattice parameter ratio c/a and the magnetic moment saturate at about the same temperature below ~200 K, indicating a possible magnetoelastic coupling. The ordered moment μ = 1.9(1)μ B/Cr, measured at T = 12 K, is significantly reduced compared to its localized value (4μ B/Cr) due to themore » itinerant character brought about by hybridization between the Cr 3d and As 4p orbitals.« less

Study of optical properties of BaMn1-xCrxO3 (x=0.0, 0.1, 0.2, 0.3, 0.4, 0.5) manganites using microwave synthesis method

NASA Astrophysics Data System (ADS)

Rani, Reena; Yadav, Kamlesh

2015-08-01

Barium manganite (BaMnO3), a perovskite based material, has been studied extensively. BaMnO3 properties can be changed by doping different elements at manganese (Mn) lattice site. We have prepared BaMnO3 and BaMn1-xCrxO3 (x=0.1, 0.2, 0.3, 0.4, 0.5) by Microwave Synthesizer. Data obtained from Fourier Transform Infrared Spectroscopy (FTIR) that the band gap of pure BaMnO3 is less as compare to the Cr doped BaMnO3. It is also clear from the FTIR that the band gap decreased with increasing the concentration of chromium. Broaden peak at 3201 cm-1 correspond to the stretching vibration of hydroxyl group (OH or H2O). The peaks appear on 724, 863 and 974 cm-1 is corresponding to the stretching vibration of metal oxide (M-O) bonds in the BaMnO3. BaMnO3 have applications in memory storage devices.

The solubility of BaCO3(cr) (witherite) in CO2-H2O solutions between 0 and 90°C, evaluation of the association constants of BaHCO3+(aq) and BaCO30(aq) between 5 and 80°C, and a preliminary evaluation of the thermodynamic properties of Ba2+(aq)

USGS Publications Warehouse

Busenberg, Eurybiades; Plummer, Niel

1986-01-01

Problems in the thennodynamic selections of Ba compounds are considered. Newer data require the revision of ΔfH° and ΔfG° of Ba2+(aq) to −532.5 and −555.36 kJ · mol−1, respectively, for agreement with solubility data.

Improvement of critical current density in thallium-based (Tl,Bi)Sr{sub 1.6}Ba{sub 0.4}Ca{sub 2}Cu{sub 3}O{sub x} superconductors

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

Ren, Z.F.; Wang, C.A.; Wang, J.H.

1994-12-31

Epitaxial (Tl,Bi)Sr{sub 1.6}Ba{sub 0.4}Ca{sub 2}Cu{sub 3}O{sub x} (Tl,Bi)-1223 thin films on (100) single crystal LaAlO{sub 3} substrates were synthesized by a two-step procedure. Phase development, microstructure, and relationships between film and substrate were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Resistance versus temperature, zero-field-cooled and field-cooled magnetization, and transport critical current density (J{sub c}) were measured. The zero-resistance temperature was 105-111 K. J{sub c} at 77 K and zero field was > 2 x 10{sup 6} A/cm{sup 2}. The films exhibited good flux pinning properties.

Heavy ion irradiations on synthetic hollandite-type materials: Ba1.0Cs0.3A2.3Ti5.7O16 (A=Cr, Fe, Al)

NASA Astrophysics Data System (ADS)

Tang, Ming; Tumurugoti, Priyatham; Clark, Braeden; Sundaram, S. K.; Amoroso, Jake; Marra, James; Sun, Cheng; Lu, Ping; Wang, Yongqiang; Jiang, Ying.-Bing.

2016-07-01

The hollandite supergroup of minerals has received considerable attention as a nuclear waste form for immobilization of Cs. The radiation stability of synthetic hollandite-type compounds described generally as Ba1.0Cs0.3A2.3Ti5.7O16 (A=Cr, Fe, Al) were evaluated by heavy ion (Kr) irradiations on polycrystalline single phase materials and multiphase materials incorporating the hollandite phases. Ion irradiation damage effects on these samples were examined using grazing incidence X-ray diffraction (GIXRD) and transmission electron microscopy (TEM). Single phase compounds possess tetragonal structure with space group I4/m. GIXRD and TEM observations revealed that 600 keV Kr irradiation-induced amorphization on single phase hollandites compounds occurred at a fluence between 2.5×1014 Kr/cm2 and 5×1014 Kr/cm2. The critical amorphization fluence of single phase hollandite compounds obtained by in situ 1 MeV Kr ion irradiation was around 3.25×1014 Kr/cm2. The hollandite phase exhibited similar amorphization susceptibility under Kr ion irradiation when incorporated into a multiphase system.

Temperature dependence of superfluid density in YBa 2Cu 3O 7- δ and Y 0.7Ca 0.3Ba 2Cu 3O 7- δ thin films: A doping dependence study of the linear slope

NASA Astrophysics Data System (ADS)

Lai, L. S.; Juang, J. Y.; Wu, K. H.; Uen, T. M.; Gou, Y. S.

2005-11-01

By using a microstrip ring resonator to measure the temperature dependence of the in-plane magnetic penetration depth λ(T) in YBa2Cu3O7-δ (YBCO) and Y0.7Ca0.3Ba2Cu3O7-δ (Ca-YBCO) epitaxially grown thin films, the linear temperature dependence of the superfluid density ρs/m∗ ≡ 1/λ2(T) was observed from the under- to the overdoped regime at the temperatures below T/Tc ≈ 0.3 . For the underdoped regime of YBCO and Ca-YBCO thin films, the magnitude of the slope d(1/λ2(T))/dT is insensitive to doping, and it can be treated in the framework of projected d-density-wave model. Combining these slope values with the thermal conductivity measurements, the Fermi-liquid correction factor α2 from the Fermi-liquid model, suggested by Wen and Lee, was revealed here with various doping levels.

Growth of Cu 0.5Tl 0.5Ba 2Ca 3Cu 4-yZn yO 12-δ superconductor with optimum carriers

NASA Astrophysics Data System (ADS)

Mumtaz, M.; Khan, Nawazish A.; Khan, E. U.

2010-05-01

We have tried to vary the carriers concentration in Cu 0.5Tl 0.5Ba 2Ca 3Cu 4-yZn yO 12-δ ( y = 0, 1, 1.5, 2, 2.5) superconductor with the help of post-annealing experiments carried out in nitrogen, oxygen and air and to investigate its effects on the superconductivity parameters. The zero resistivity critical temperature [ T c( R = 0)], the magnitude of diamagnetism and critical current [ I c( H = 0)] are found to increase in Zn free samples after post-annealing in oxygen and air, while these superconducting properties have been suppressed after post-annealing in nitrogen at 550 °C for 6 h. The post-annealing of Zn-doped samples in air has marginally increased the superconducting properties, while these properties have been suppressed after post-annealing in nitrogen and oxygen. These studies have led us to the definite conclusion that the Zn-doped material has grown with optimum carriers concentration.

LPE growth of crack-free PbSe layers on Si(100) using MBE-Grown PbSe/BaF2CaF2 buffer layers

NASA Astrophysics Data System (ADS)

Strecker, B. N.; McCann, P. J.; Fang, X. M.; Hauenstein, R. J.; O'Steen, M.; Johnson, M. B.

1997-05-01

Crack-free PbSe on (100)-oriented Si has been obtained by a combination of liquid phase epitaxy (LPE) and molecular beam epitaxy (MBE) techniques. MBE is employed first to grow a PbSe/BaF2/CaF2 buffer structure on the (100)-oriented Si. A 2.5 μm thick PbSe layer is then grown by LPE. The LPE-grown PbSe displays excellent surface morphology and is continuous over the entire 8×8 mm2 area of growth. This result is surprising because of the large mismatch in thermal expansion coefficients between PbSe and Si. Previous attempts to grow crack-free PbSe by MBE alone using similar buffer structures on (100)-oriented Si have been unsuccessful. It is speculated that the large concentration of Se vacancies in the LPE-grown PbSe layer may allow dislocation climb along higher order slip planes, providing strain relaxation.

Diminishing sign anomaly and scaling behavior of the mixed-state Hall resistivity in Tl2Ba2Ca2Cu3O10 films containing columnar defects

NASA Technical Reports Server (NTRS)

Budhani, R. C.; Liou, S. H.; Cai, Z. X.

1993-01-01

The issues of sign reversal of the Hall voltage and scaling between longitudinal (rho(xx)) and Hall (rho(xy)) resistivities are studied in Tl2Ba2Ca2Cu3O10 films in which the vortex dynamics is drastically changed by flux pinning at heavy-ion-irradiation-induced linear defects. While the sign anomaly diminishes with increasing defect concentration, the power law rho(xy) is approximately equal to rho(xx) exp beta, beta = 1.85 +/- 0.1, holds even after irradiation. This result shows that the scaling is a universal feature of the mixed state in this system. The sign anomaly, on the other hand, is not consistent with a model that invokes pinning-induced backflow in the vortex core as the mechanism for this effect.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3

NASA Astrophysics Data System (ADS)

Vaitheeswaran, G.; Kanchana, V.; Zhang, Xinxin; Ma, Yanming; Svane, A.; Christensen, N. E.

2016-08-01

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent GW approximation. The GW calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

PubMed

Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E

2016-08-10

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Non-symmetrical electric response in CaCu3Ti4O12 and La0.05Ba0.95TiO3-δ-SPS materials

NASA Astrophysics Data System (ADS)

Valdez-Nava, Zarel; Dinculescu, Sorin; Lebey, Thierry

2010-09-01

Two colossal dielectric permittivity (CDC) materials, CaCu3Ti4O12 (CCTO) issued from conventional sintering with grain sizes between 20 and 30 µm and SPS sintered La0.05Ba0.95TiO3-δ (BTL-SPS) with grain sizes between 50 and 100 nm, are characterized by simple electrical measurements (Sawyer-Tower and I(V)). Whatever the type of measurements performed, the results depend, on the one hand, on the relative position of the sample in the measuring setup and, on the other hand, on the type of surface treatment achieved on the sample. A clear demonstration of the non-isotropic character of the materials under study is achieved. The non-symmetrical electrical response observed in these two different materials seems to be independent of microstructure and composition, and could be related to the overall phenomena at the origin of the colossal values of permittivity.

Large Electrocaloric Effect in Lead-Free (Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 Ceramics Prepared via Citrate Route

PubMed Central

Shi, Jing; Zhu, Rongfeng; Liu, Xing; Yuan, Ningyi; Ding, Jianning; Luo, Haosu

2017-01-01

The 1 wt % Li-doped (Ba0.85Ca0.15)(Zr0.1Ti0.9)O3 (BCZT-Li) ceramics prepared by the citrate method exhibit improved phase purity, densification and electrical properties, which provide prospective possibility to develop high-performance electrocaloric materials. The electrocaloric effect was evaluated by phenomenological method, and the BCZT-Li ceramics present large electrocaloric temperature change ∆T, especially large electrocaloric responsibility ξ = ∆Tmax/∆Emax, which can be comparable to the largest values reported in the lead-free piezoelectric ceramics. The excellent electrocaloric effect is considered as correlating with the coexistence of polymorphic ferroelectric phases, which are detected by the Raman spectroscopy. The large ξ value accompanied by decreased Curie temperature (around 73 °C) of the BCZT-Li ceramics prepared by the citrate method presents potential applications as the next-generation solid-state cooling devices. PMID:28927004

Scanning Tunneling Microscopy/Spectroscopy study on Optimally Potassium Doped Single Crystal BaFe2 As 2

NASA Astrophysics Data System (ADS)

Ma, Jihua; Li, Ang; Zhang, Chenglin; Dai, Pengcheng; Pan, Shuheng

2011-03-01

The iron pnictide parent compound material can be brought into superconducting state by chemical doping. It is worthwhile to study and compare the hole- and electron-doped iron pnictides. Among the well-known family of AEFe 2 As 2 (AE=Ca, Sr, Ba), the scanning tunneling microscopy/spectroscopy study on hole-doped samples is insufficient. In this talk we will present high resolution STM/STS results on (001) surface of the optimally doped single crystal Ba 0.6 K0.4 Fe 2 As 2 (Tc ~ 37 K). With the data we will discuss the spatial variation of the superconducting energy gap.

Crystal Structure and Thermodynamic Stability of Ba/Ti-Substituted Pollucites for Radioactive Cs/Ba Immobilization

DOE PAGES

Xu, Hongwu; Chavez, Manuel E.; Mitchell, Jeremy N.; ...

2015-04-23

An analogue of the mineral pollucite (CsAlSi 2O 6), CsTiSi 2O 6.5 has a potential host phase for radioactive Cs. However, as 137Cs and 135Cs transmute to 137Ba and 135Ba, respectively, through the beta decay, it is essential to study the structure and stability of this phase upon Cs → Ba substitution. In this work, two series of Ba/Ti-substituted samples, Cs xBa (1-x)/2TiSi 2O 6.5 and Cs xBa 1-xTiSi 2O 7-0.5x, (x = 0.9 and 0.7), were synthesized by high-temperature crystallization from their respective precursors. Synchrotron X-ray diffraction and Rietveld analysis reveal that while Cs xBa (1-x)/2TiSi 2O 6.5 samplesmore » are phase-pure, Cs xBa 1-xTiSi 2O 7-0.5x samples contain Cs3x/(2+x)Ba (1-x)/(2+x)TiSi 2O 6.5 pollucites (i.e., also two-Cs-to-one-Ba substitution) and a secondary phase, fresnoite (Ba2TiSi2O8). Thus, the Cs xBa 1-xTiSi 2O 7-0.5x series is energetically less favorable than Cs xBa (1-x)/2TiSi 2O 6.5. To study the stability systematics of Cs xBa (1-x)/2TiSi 2O 6.5 pollucites, high-temperature calorimetric experiments were performed at 973 K with or without the lead borate solvent. Enthalpies of formation from the constituent oxides (and elements) have thus been derived. Our results show that with increasing Ba/(Cs + Ba) ratio, the thermodynamic stability of these phases decreases with respect to their component oxides. Hence, from the energetic viewpoint, continued Cs → Ba transmutation tends to destabilize the parent silicotitanate pollucite structure. However, the Ba-substituted pollucite co-forms with fresnoite (which incorporates the excess Ba), thereby providing viable ceramic waste forms for all the Ba decay products.« less

Bumetanide hyperpolarizes Madin-Darby canine kidney cells and enhances cellular gentamicin uptake via elevating cytosolic Ca2+ thus facilitating intermediate conductance Ca2+-activated potassium channels

PubMed Central

Wang, Tian; Yang, Yu-qin; Karasawa, Takatoshi; Wang, Qi; Phillips, Amanda; Guan, Bing-Cai; Ma, Ke-Tao; Jiang, Meiyan; Xie, Ding-Hua; Steyger, Peter S.; Jiang, Zhi-Gen

2012-01-01

Loop diuretics such as bumetanide and furosemide enhance aminoglycoside ototoxicity when co-administered to patients and animal models. The underlying mechanism(s) is poorly understood. We investigated the effect of these diuretics on cellular uptake of aminoglycosides, using Texas Red-tagged gentamicin (GTTR), and intracellular/whole-cell recordings of Madin-Darby Canine kidney (MDCK) cells. We found that bumetanide and furosemide concentration-dependently enhanced cytoplasmic GTTR fluorescence by ~60%. This enhancement was suppressed by La3+, a non-selective cation channel (NSCC) blocker, and by K+ channel blockers Ba2+ and clotrimazole, but not by tetraethylammonium (TEA), 4-aminopyridine (4-AP) or glipizide, nor by Cl− channel blockers diphenylamine-2-carboxylic acid (DPC), niflumic acid (NFA), and CFTRinh-172. Bumetanide and furosemide hyperpolarized MDCK cells by ~14 mV, increased whole-cell I/V slope conductance; the bumetanide-induced net current I/V showed a reversal potential (Vr) ~−80 mV. Bumetanide-induced hyperpolarization and I/V change was suppressed by Ba2+ or clotrimazole, and absent in elevated [Ca2+]i, but not affected by apamin, 4-AP, TEA, glipizide, DPC, NFA or CFTRinh-172. Bumetanide and furosemide stimulated a surge of Fluo-4-indicated cytosolic Ca2+. Ba2+ and clotrimazole alone depolarized cells by ~18 mV and reduced I/V slope with a net current Vr near −85 mV, and reduced GTTR uptake by ~20%. La3+ alone hyperpolarized the cells by ~−14 mV, reduced the I/V slope with a net current Vr near −10 mV, and inhibited GTTR uptake by ~50%. In the presence of La3+, bumetanide caused negligible potential or I/V change. We conclude that NSCCs constitute a major cell entry pathway for cationic aminoglycosides; bumetanide enhances aminoglycoside uptake by hyperpolarizing cells that increases cation influx driving force; and bumetanide-induced hyperpolarization is caused by elevating the intracellular Ca2+ and thus a facilitation of the

Bumetanide hyperpolarizes madin-darby canine kidney cells and enhances cellular gentamicin uptake by elevating cytosolic Ca(2+) thus facilitating intermediate conductance Ca(2+)--activated potassium channels.

PubMed

Wang, Tian; Yang, Yu-Qin; Karasawa, Takatoshi; Wang, Qi; Phillips, Amanda; Guan, Bing-Cai; Ma, Ke-Tao; Jiang, Meiyan; Xie, Ding-Hua; Steyger, Peter S; Jiang, Zhi-Gen

2013-04-01

Loop diuretics such as bumetanide and furosemide enhance aminoglycoside ototoxicity when co-administered to patients and animal models. The underlying mechanism(s) is poorly understood. We investigated the effect of these diuretics on cellular uptake of aminoglycosides, using Texas Red-tagged gentamicin (GTTR), and intracellular/whole-cell recordings of Madin-Darby canine kidney (MDCK) cells. We found that bumetanide and furosemide dose-dependently enhanced cytoplasmic GTTR fluorescence by ~60 %. This enhancement was suppressed by La(3+), a non-selective cation channel (NSCC) blocker, and by K(+) channel blockers Ba(2+) and clotrimazole, but not by tetraethylammonium (TEA), 4-aminopyridine (4-AP) or glipizide, nor by Cl(-) channel blockers diphenylamine-2-carboxylic acid (DPC), niflumic acid (NFA), and CFTRinh-172. Bumetanide and furosemide hyperpolarized MDCK cells by ~14 mV, increased whole-cell I/V slope conductance; the bumetanide-induced net current I/V showed a reversal potential (V r) ~-80 mV. Bumetanide-induced hyperpolarization and I/V change was suppressed by Ba(2+) or clotrimazole, and absent in elevated [Ca(2+)]i, but was not affected by apamin, 4-AP, TEA, glipizide, DPC, NFA, or CFTRinh-172. Bumetanide and furosemide stimulated a surge of Fluo-4-indicated cytosolic Ca(2+). Ba(2+) and clotrimazole alone depolarized cells by ~18 mV and reduced I/V slope with a net current V r near -85 mV, and reduced GTTR uptake by ~20 %. La(3+) alone hyperpolarized the cells by ~-14 mV, reduced the I/V slope with a net current V r near -10 mV, and inhibited GTTR uptake by ~50 %. In the presence of La(3+), bumetanide-caused negligible change in potential or I/V. We conclude that NSCCs constitute a major cell entry pathway for cationic aminoglycosides; bumetanide enhances aminoglycoside uptake by hyperpolarizing cells that increases the cation influx driving force; and bumetanide-induced hyperpolarization is caused by elevating intracellular Ca(2+) and thus facilitating

Functional reconstitution of the mitochondrial Ca2+/H+ antiporter Letm1.

PubMed

Tsai, Ming-Feng; Jiang, Dawei; Zhao, Linlin; Clapham, David; Miller, Christopher

2014-01-01

The leucine zipper, EF hand-containing transmembrane protein 1 (Letm1) gene encodes a mitochondrial inner membrane protein, whose depletion severely perturbs mitochondrial Ca(2+) and K(+) homeostasis. Here we expressed, purified, and reconstituted human Letm1 protein in liposomes. Using Ca(2+) fluorophore and (45)Ca(2+)-based assays, we demonstrate directly that Letm1 is a Ca(2+) transporter, with apparent affinities of cations in the sequence of Ca(2+) ≈ Mn(2+) > Gd(3+) ≈ La(3+) > Sr(2+) > Ba(2+), Mg(2+), K(+), Na(+). Kinetic analysis yields a Letm1 turnover rate of 2 Ca(2+)/s and a Km of ∼25 µM. Further experiments show that Letm1 mediates electroneutral 1 Ca(2+)/2 H(+) antiport. Letm1 is insensitive to ruthenium red, an inhibitor of the mitochondrial calcium uniporter, and CGP-37157, an inhibitor of the mitochondrial Na(+)/Ca(2+) exchanger. Functional properties of Letm1 described here are remarkably similar to those of the H(+)-dependent Ca(2+) transport mechanism identified in intact mitochondria.

Investigation of structural and electrical properties of La{sub 0.7}(Ba{sub 1-x}Ca{sub x}){sub 0.3}MnO{sub 3} compounds by sol-gel method

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

Winarsih, Suci; Kurniawan, Budhy, E-mail: bkuru07@gmail.com; Manaf, Azwar

2016-06-17

In this paper, we explored structural and electrical properties of La{sub 0.7}(Ba{sub 1-x}Ca{sub x}){sub 0.3}MnO{sub 3} (x = 0; 0.03; and 0.05) compounds. The general structure of perovskite manganites is AMnO{sub 3} (A= trivalent rare earth with divalent ion-doped). Average A-site cation size, external pressure, and the variance of the cation size σ{sup 2} are one of many factors that affected to magneto-transport properties of manganites as reported by others. In this work we focus only on the electrical properties in La{sub 0.7}Ba{sub 0.3}MnO{sub 3} Ca-doped compound which may influence crystal structure resulting resistivity phenomena under magnetic field influence. Allmore » samples were synthesized by sol-gel method from which fine powders were obtained. The X-ray powder diffraction pattern of powder materials shows that all samples are fully crystalline with a rhombohedral structure. Rietveld refinement shows that the presence of calcium has changed some crystal structural parameters such lattice parameter, Mn–O bond length, and Mn–O–Mn angles. The electrical resistivity of all synthesized materials investigated by four point probe method using Cryogenic Magnet in the temperature range of 50-300 K under influence a magnetic field shows resistivity temperature dependent. In fact presence of calcium has reduced the resistivity. It might occure because it has made an enhancement in the mobility of hopping electrons. The magnetic external field causes the resistivity decreased for all samples because host spin align by delocalizing the charge carries so electron itinerant through the lattice suggested by other authors. Both calcium dopant concentration and the applied external magnetic field shows strong correlation in reduction of resistivity.« less

Chromium III histidinate exposure modulates antioxidant gene expression in HaCaT human keratinocytes exposed to oxidative stress

USDA-ARS?s Scientific Manuscript database

While the toxicity of hexavalent chromium is well established, trivalent Cr (Cr(III)) is an essential nutrient involved in insulin and glucose homeostasis. Recently, antioxidant effects of chromium (III) histidinate (Cr(III)His) were reported in HaCaT human keratinocytes exposed to oxidative stress...

Dependences of the density of M{sub 1-x}R{sub x}F{sub 2+x} and R{sub 1-y}M{sub y}F{sub 3-y} single crystals (M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

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

Sorokin, N. I., E-mail: sorokin@ns.crys.ras.ru; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-15

The density of single crystals of nonstoichiometric phases Ba{sub 1-x}La{sub x}F{sub 2+x} (0 {<=} x {<=} 0.5) and Sr{sub 0.8}La{sub 0.2-x}Lu{sub x}F{sub 2.2} (0 {<=} x {<=} 0.2) with the fluorite (CaF{sub 2}) structure type and R{sub 1-y}Sr{sub y}F{sub 3-y} (R = Pr, Nd; 0 {<=} y {<=} 0.15) with the tysonite (LaF{sub 3}) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement themore » composition control of single crystals of superionic conductors M{sub 1-x}R{sub x}F{sub 2+x} and R{sub 1-y}M{sub y}F{sub 3-y} in practice, calibration graphs of X-ray density in the MF{sub 2}-RF{sub 3} systems (M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.« less

Nonparametric Trajectory Analysis of CMAPS Data

EPA Science Inventory

As part of the Cleveland Multiple Air Pollutant Study (CMAPS), 30-minute average concentrations of the elemental composition of PM2.5 were made at two sites during the months of August 2009 and February 2010. The elements measured were: Al, As, Ba, Be, Ca, Cd, Ce, Co, Cr, Cs, Cu...

Searching for “LiCrIIPO4”

NASA Astrophysics Data System (ADS)

Mosymow, E.; Glaum, R.; Kremer, R. K.

2014-10-01

The two new phosphates LiCrII4(PO4)3 and Li5CrII2CrIII(PO4)4 are discovered as equilibrium phases (ϑ=800 °C) in the quarternary system Li/Cr/P/O. Their crystal structures have been determined from single-crystal X-ray diffraction data {LiCrII4(PO4)3: violet-blue, Pnma (no. 62), Z=4, a=6.175(1) Å, b=14.316(3) Å, c=10.277(2) Å, 100 parameters, R1=0.028, wR2=0.08, 2060 unique reflections with Fo>4σ(Fo); Li5CrII2CrIII(PO4)4: greyish-green, P1bar (no. 2), Z=1, a=4.9379(7) Å, b=7.917(2) Å, c=8.426(2) Å, α=109.98(2)°, β=90.71(1)°, γ=104.91(1)°, 131 parameters, R1=0.022, wR2=0.067, 1594 unique reflections with Fo>4σ(Fo)}. Li5CrII2CrIII(PO4)4 adopts an hitherto unknown structure type. The crystal structure of LiCrII4(PO4)3 is isotypic to that of NaCdII4(PO4)3 and related to that of the mineral silicocarnotite Ca5(PO4)2(SiO4). Significant disorder between Li+ and Cr2+ is observed for both crystal structures. The oxidation states assigned to chromium in these two phosphates are in agreement with UV/vis/NIR absorption spectra and magnetic susceptibility data recorded for both compounds. Instead of “LiCrIIPO4” mixtures of LiCrII4(PO4)3, Li5CrII2CrIII(PO4)4, Cr2O3, and CrP are observed at equilibrium. Instead of “Li2CrIIP2O7” four-phase mixtures consisting of Li9CrIII3(P2O7)3(PO4)2, Li3CrIII2(PO4)3, LiCrP2O7, and CrP were obtained.

Distribution and bioavailability of Cr in central Euboea, Greece

NASA Astrophysics Data System (ADS)

Megremi, Ifigeneia

2010-06-01

Plants and soils from central Euboea, were analyzed for Cr(totai), Cr(VI), Ni, Mn, Fe and Zn. The range of metal concentrations in soils is typical to those developed on Fe-Ni laterites and ultramafic rocks. Their bioavailability was expressed in terms of concentrations extractable with EDTA and 1 M HNO3, with EDTA having a limited effect on metal recovery. Cr(VI) concentrations in soils evaluated by alkaline digestion solution were lower than phytotoxic levels. Chromium and Ni — and occasionally Zn — in the majority of plants were near or above toxicity levels. Cr(VI) concentrations in plants were extremely low compared to total chromium concentrations. Cr(total) in ground waters ranged from <1 μg.L-1 to 130 μg.L-1, with almost all chromium present as Cr(VI). With the exception of Cr(total) and in some cases Zn, all elements were below regulatory limits for drinking water. On the basis of Ca, Mg, Cr(total) and Si ground waters were classified into three groups: Group(I) with Cr concentrations less than 1 μg.L-1 from a karstic aquifer; Group(II) with average concentrations of 24 μg.L-1 of Cr and relatively high Si associated with ophiolites; and Group(III) with Cr concentrations of up to 130 μg.L-1, likely due to anthropogenic activity. Group(III) is comparable to ground waters from Assopos basin, characterized by high Cr(VI) concentrations, probably due to industrial actrivities.

The laser microprobe mass analyser for determining partitioning of minor and trace elements among intimately associated macerals: an example from the Swallow Wood coal bed, Yorkshire, UK

USGS Publications Warehouse

Lyons, P.C.; Morelli, J.J.; Hercules, D.M.; Lineman, D.; Thompson-Rizer, C. L.; Dulong, F.T.

1990-01-01

A study of the elemental composition of intimately associated coal macerals in the English Swallow Wood coal bed was conducted using a laser microprobe mass analyser, and indicated a similar trace and minor elemental chemistry in the vitrinite and cutinite and a different elemental signature in the fusinite. Three to six sites were analysed within each maceral during the study by laser micro mass spectrometry (LAMMS). Al, Ba, Ca, Cl, Cr, Dy, F, Fe, Ga, K, Li, Mg, Na, S, Si, Sr, Ti, V, and Y were detected by LAMMS in all three macerals but not necessarily at each site analysed. The signal intensities of major isotopic peaks were normalized to the signal intensity of the m z 85 peak (C7H) to determine the relative minor- and trace-element concentrations among the three dominant macerals. The vitrinite and the cutinite were depleted in Ba, Ca, Dy, Li, Mg, Sr, and Y relative to their concentrations observed in the fusinite. The cutinite was distinguished over vitrinite by less Ti, V, Cr and Ca, and K Ca $ ??1 (relative signal intensities). The fusinite, relative to the cutinite and vitrinite, was relatively depleted in Cr, Sc, Ti, and V. The fusinite, as compared with both the cutinite and vitrinite, was relatively enriched in Ba, Ca, Dy, Li, Mg, Sr, and Y, and also showed the most intense m z 64, 65, 66 signals (possibly S2+, HS2+, H2S2+, respectively). The LAMMS data indicate a common source for most elements and selective loss from the maceral precursors in the peat or entrapment of certain elements as mineral matter, most likely during the peat stage or during early diagenesis. The relatively high amounts of Ba, Ca, Dy, Li, Mg, Sr, and Y in the fusinite are consistent with micron and submicron mineral-matter inclusions such as carbonates and Ca-Al phosphates (probably crandallite group minerals). Mineralogical data on the whole coal, the LAMMS chemistry of the vitrinite and cutinite, and scanning electron microscopy/energy dispersive X-ray analysis (SEM/EDAX) of

Electronic Structure of Tl2Ba2CuO(6+Delta) Epitaxial Films Measured by X-Ray Photoemission

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Ren, Z. F.; Wang, J. H.

1996-01-01

The valence electronic structure and core levels of Tl2Ba2CuO(6 + delta) (Tl-2201) epitaxial films have been measured with X-ray photoelectron spectroscopy and are compared to those of Tl2Ba2CaCu2O(8 + delta) (Tl-2212). Changes in the Tl-2201 core-level binding energies with oxygen doping are consistent with a change in the chemical potential. Differences between the Tl-2201 and Tl-2212 measured densities of states are consistent with the calculated Cu 3d and Tl 6s partial densities of states.

Potentiation of inositol trisphosphate-induced Ca2+ mobilization in Xenopus oocytes by cytosolic Ca2+.

PubMed Central

Yao, Y; Parker, I

1992-01-01

1. The ability of cytosolic Ca2+ ions to modulate inositol 1,4,5-trisphosphate (Insp3)-induced Ca2+ liberation from intracellular stores was studied in Xenopus oocytes using light flash photolysis of caged InsP3. Changes in cytosolic free Ca2+ level were effected by inducing Ca2+ entry through ionophore and voltage-gated plasma membrane channels and by injection of Ca2+ through a micropipette. Their effects on Ca2+ liberation were monitored by video imaging of Fluo-3 fluorescence and by voltage clamp recording of Ca(2+)-activated membrane Cl- currents. 2. Treatment of oocytes with the Ca2+ ionophores A23187 and ionomycin caused a transient elevation of cytosolic Ca2+ level when cells were bathed in Ca(2+)-free solution, which probably arose because of release of Ca2+ from intracellular stores. 3. Membrane current and Fluo-3 Ca2+ signals evoked by photoreleased InsP3 in ionophore-treated oocytes were potentiated when the intracellular Ca2+ level was elevated by raising the Ca2+ level in the bathing solution. 4. Responses to photoreleased InsP3 were similarly potentiated following activation of Ca2+ entry through voltage-gated Ca2+ channels expressed in the plasma membrane. 5. Ca(2+)-activated membrane currents evoked by depolarization developed a delayed 'hump' component during sustained photorelease of InsP3, probably because Ca2+ ions entering through the membrane channels triggered liberation of Ca2+ from intracellular stores. 6. Ba2+ and Sr2+ ions were able to substitute for Ca2+ in potentiating InsP3-mediated Ca2+ liberation. 7. Gradual photorelease of InsP3 by weak photolysis light evoked Ca2+ liberation that began at particular foci and then propagated throughout, but not beyond that area of the oocyte exposed to the light. Local elevations of intracellular Ca2+ produced by microinjection of Ca2+ acted as new foci for the initiation of Ca2+ liberation by InsP3. 8. In resting oocytes, intracellular injections of Ca2+ resulted only in localized elevation of

The Ba 4d-4f giant dipole resonance in complex Ba/Si compounds

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

Sahle, Ch. J.; Sternemann, C.; Sternemann, H.

2014-08-06

The shape of the Ba 4d–4f giant dipole resonance is studied for Ba atoms embedded inside complex Si networks covering structures consisting of Si nanocages and nanotubes, i.e. the clathrate Ba 8Si 46, the complex compound BaSi 6, and the semiconducting BaSi 2. Here, non-resonant x-ray Raman scattering is used to investigate confinement effects on the shape of the giant resonance in the vicinity of the Ba NIV, V-edge. The distinct momentum transfer dependence of the spectra is analyzed and discussed. The measurements are compared to calculations of the giant resonance within time-dependent local density approximation in the dipole limit.more » No modulation of the giant resonance's shape for Ba atoms confined in different local environments was observed, in contrast to the calculations. The absence of such shape modulation for complex Ba/Si compounds is discussed providing important implications for further studies of giant resonance phenomena utilizing both theory and experiment.« less