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Sample records for o3 nitrogen-saturated site

  1. California black oak response to nitrogen amendment at a high O3, nitrogen-saturated site.

    PubMed

    Grulke, N E; Dobrowolski, W; Mingus, P; Fenn, M E

    2005-10-01

    In a nitrogen (N) saturated forest downwind from Los Angeles, California, the cumulative response to long-term background-N and N-amendment on black oak (Quercus kelloggii) was described in a below-average and average precipitation year. Monthly measurements of leaf and branch growth, gas exchange, and canopy health attributes were conducted. The effects of both pollutant exposure and drought stress were complex due to whole tree and leaf level responses, and shade versus full sun leaf responses. N-amended trees had lower late summer carbon (C) gain and greater foliar chlorosis in the drought year. Leaf water use efficiency was lower in N-amended trees in midsummer of the average precipitation year, and there was evidence of poor stomatal control in full sun. In shade, N-amendment enhanced stomatal control. Small differences in instantaneous C uptake in full sun, lower foliar respiration, and greater C gain in low light contributed to the greater aboveground growth observed. PMID:16005765

  2. IMPLICATION OF LAKE WATER RESIDENCE TIME ON THE CLASSIFICATION OF NORWEGIAN SURFACE WATER SITES INTO PROGRESSIVE STAGES OF NITROGEN SATURATION

    EPA Science Inventory

    Seasonal behaviour of NO3- in surface water is often used as an indicator on a catchment's ability to retain N from atmospheric deposition. In this paper, we classify 12 pristine sites (five streams and seven lakes) in southernmost Norway according to the N saturation stage conce...

  3. Role of Tricoordinate Al Sites in CH3ReO3/Al2O3 Olefin Metathesis Catalysts.

    PubMed

    Valla, Maxence; Wischert, Raphael; Comas-Vives, Aleix; Conley, Matthew P; Verel, René; Copéret, Christophe; Sautet, Philippe

    2016-06-01

    Re2O7 supported on γ-alumina is an alkene metathesis catalyst active at room temperature, compatible with functional groups, but the exact structures of the active sites are unknown. Using CH3ReO3/Al2O3 as a model for Re2O7/Al2O3, we show through a combination of reactivity studies, in situ solid-state NMR, and an extensive series of DFT calculations, that μ-methylene structures (Al-CH2-ReO3-Al) containing a Re═O bound to a tricoordinated Al (AlIII) and CH2 bound to a four-coordinated Al (AlIVb) are the precursors of the most active sites for olefin metathesis. The resting state of CH3ReO3/Al2O3 is a distribution of μ-methylene species formed by the activation of the C-H bond of CH3ReO3 on different surface Al-O sites. In situ reaction with ethylene results in the formation of Re metallacycle intermediates, which were studied in detail through a combination of solid-state NMR experiments, using labeled ethylene, and DFT calculations. In particular, we were able to distinguish between metallacycles in TBP (trigonal-bipyramidal) and SP (square-pyramidal) geometry, the latter being inactive and detrimental to catalytic activity. The SP sites are more likely to be formed on other Al sites (AlIVa/AlIVa). Experimentally, the activity of CH3ReO3/Al2O3 depends on the activation temperature of alumina; catalysts activated at or above 500 °C contain more active sites than those activated at 300 °C. We show that the dependence of catalytic activity on the Al2O3 activation temperature is related to the quantity of available AlIII-defect sites and adsorbed H2O.

  4. Role of Tricoordinate Al Sites in CH3ReO3/Al2O3 Olefin Metathesis Catalysts.

    PubMed

    Valla, Maxence; Wischert, Raphael; Comas-Vives, Aleix; Conley, Matthew P; Verel, René; Copéret, Christophe; Sautet, Philippe

    2016-06-01

    Re2O7 supported on γ-alumina is an alkene metathesis catalyst active at room temperature, compatible with functional groups, but the exact structures of the active sites are unknown. Using CH3ReO3/Al2O3 as a model for Re2O7/Al2O3, we show through a combination of reactivity studies, in situ solid-state NMR, and an extensive series of DFT calculations, that μ-methylene structures (Al-CH2-ReO3-Al) containing a Re═O bound to a tricoordinated Al (AlIII) and CH2 bound to a four-coordinated Al (AlIVb) are the precursors of the most active sites for olefin metathesis. The resting state of CH3ReO3/Al2O3 is a distribution of μ-methylene species formed by the activation of the C-H bond of CH3ReO3 on different surface Al-O sites. In situ reaction with ethylene results in the formation of Re metallacycle intermediates, which were studied in detail through a combination of solid-state NMR experiments, using labeled ethylene, and DFT calculations. In particular, we were able to distinguish between metallacycles in TBP (trigonal-bipyramidal) and SP (square-pyramidal) geometry, the latter being inactive and detrimental to catalytic activity. The SP sites are more likely to be formed on other Al sites (AlIVa/AlIVa). Experimentally, the activity of CH3ReO3/Al2O3 depends on the activation temperature of alumina; catalysts activated at or above 500 °C contain more active sites than those activated at 300 °C. We show that the dependence of catalytic activity on the Al2O3 activation temperature is related to the quantity of available AlIII-defect sites and adsorbed H2O. PMID:27140286

  5. Emission of Nitrous Oxide in Temperate Forests with Different Stages of Nitrogen Saturation in Central Japan

    NASA Astrophysics Data System (ADS)

    Shaoyan, F.

    2015-12-01

    Long-term nitrogen deposition has caused a problem called nitrogen saturation in forest ecosystems globally. Aber et al. (1989) suggested that nitrogen saturation activate soil nitrification in forest systems, which is the main process of N2O production in aerobic condition. Thus, nitrogen saturation may affect significantly the N2O emission from forests, while the impact on flux has not been quantitatively evaluated yet. In the present study, 3-year monitoring of N2O emission was performed in an N-saturated forests (Tama Hill, Tokyo): the emission rate of N2O was measured monthly by a closed chamber method at 12 plots along a slope, and the net nitrification rate of surface soil (0-10 cm) was measured 4 times in situ. In addition, a comparative research was conducted in summer in eight temperate forests with different stages of nitrogen saturation in central Japan; the N2O flux, soil moisture, nitrogen availability and stream water NO3- concentration were measured at each site. In an N-saturated forests, the annual N2O emission was estimated to be 0.88 kg N ha-1year-1 , showing a typical seasonal variation . The seasonal patterns of N2O emission were significantly related to soil moisture and ambient temperature. We also found high spatial variation of N2O flux among 12 plots along the slope, which was generally higher at the bottom. Moreover, a positive correlation was found between the rate of N2O emission and the net nitrification rate with WFPS<60%, while it was unclear in some humid spots with WFPS>60% , probably due to the effect of denitrification. In comparison sites, the N2O emission rate ranged nearly 16-fold from 0.13-2.11 g N ha-1day-1 was linearly related to the stream water NO3- concentration ranged 10-fold from 0.14 to 1.4 mg N/L. Our results revealed N enrichment in forest obviously stimulate soil N2O emission. Keywords: Nitrous oxide, nitrogen saturation, nitrification, temperate forest

  6. Nitrogen cycling and nitrogen saturation in temperate forest ecosystems.

    PubMed

    Aber, J D

    1992-07-01

    The last decade has seen a dramatic shift in the focus of nitrogen cycling research in forest ecosystems. Concerns over nitrogen deficiencies and effects of removal in harvest have given way to concerns over excess nitrogen availability and the potential for forest decline and surface water pollution. Driving this paradigm shift is the increase in atmospheric deposition of nitrogen to forests due to industrial and agricultural activity. At the core of the new paradigm is the concept of 'nitrogen saturation' of forest ecosystems. The purpose of this review is to synthesize recent advances in research relating to nitrogen deposition effects on temperate zone forest ecosystems, and the further effects of nitrogen saturation on environmental quality. PMID:21236013

  7. Determination of the lattice site of Fe in photorefractive LiNbO 3

    NASA Astrophysics Data System (ADS)

    Prieto, C.; Zaldo, C.

    1992-09-01

    The coordination of Fe ions in LiNbO 3 single crystals has been investigated by Extended X-ray Absorption Fine Structure technique. From the analysis of the data it is found that Fe 3+ sits in the Li-site and that the displacement of Fe along the c-axis is very similar to that of Li +.

  8. Iron spin state and site distribution in FeAlO3-bearing bridgmanite

    NASA Astrophysics Data System (ADS)

    Mohn, Chris E.; Trønnes, Reidar G.

    2016-04-01

    DFT at the GGA, GGA + U and hybrid functional levels were used to investigate thousands of different Al and Fe3+ configurations of MgSiO3-FeAlO3 (MS-FA) and MgSiO3-FeAlO3-Al2O3 bridgmanite at deep mantle conditions. Comparison of the different functionals and atomic charge analysis suggests that GGA, frequently used to explain high to low spin transitions observed in several Mössbauer and X-ray emission spectroscopy experiments, is hampered by spurious self-interaction errors in the exchange-correlation energy. Configurational Boltzmann averaging shows that the B site is thermally inaccessible to Fe3+ at the GGA + U and hybrid levels, and we find no evidence for a spin-pairing transition in fully (thermodynamically) equilibrated samples of bridgmanite, even at the lowermost mantle conditions. The comparison of the cation radii of Fe3+ and Mg supports a spin transition accompanied by a site exchange, but the flexibility of Fesbnd O bonds to locally adapt promotes the incorporation of iron in the irregularly coordinated A-site. The concept of ionic radii is therefore unsuitable for analysis of spin state and site exchange in bridgmanite at these conditions. Consistent with previous computational work and experimental studies with glass and gel as starting material, we find that ferric iron kinetically trapped at the B site undergoes a spin transition under lowermost mantle conditions. In bridgmanite with mole fraction of Fe3+ >Al a charge-balancing amount of low spin Fe3+ will be thermodynamically stable at the B site, but because bridgmanite in peridotitic and basaltic lithologies mostly has Al/Fetotal above unity, FA with high spin Fe3+ in the A-site will be the dominant iron component. The lack of a Fe3+ spin transition in the FA-component has important implications for bridgmanite-ferropericlase partitioning of iron and magnesium and the mineral physics of the lowermost mantle.

  9. Local-site cation ordering of Eu3+ ion in doped PbTiO3

    NASA Astrophysics Data System (ADS)

    Mendez-González, Y.; Pentón-Madrigal, A.; Peláiz-Barranco, A.; Figueroa, Santiago J. A.; de Oliveira, L. A. S.; Concepción-Rosabal, B.

    2014-02-01

    X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS), and scanning electron microscopy experiments were carried out in the (Pb0.88Eu0.08)TiO3 ferroelectric compound with a perovskite type structure. Qualitative EXAFS analysis has shown that Eu3+ ions substitute to Pb2+ and Ti4+ ions at A and B sites of the ABO3 structure, respectively. The XRD pattern refinement was consistent with the Eu3+ substitution at both A and B sites, which provides the formation of donor and acceptor-type defects. The shape of the observed X-ray lines profiles has shown features, which are known for this kind of ferroelectric material to be typical of the ferroelectric domains microstructure. A phenomenological model has been used for fitting the diffraction profiles by the Rietveld method.

  10. Magnetic transition in Y-site doped multiferroic YMnO3

    NASA Astrophysics Data System (ADS)

    Thakur, Rajesh K.; Thakur, Rasna; Gaur, N. K.

    2016-05-01

    We have synthesized polycrystalline hexagonal Y1-xSrxMnO3 (x=0.02, 0.1) compounds by using conventional solid state reaction method. The detailed structural investigations are carried out by using XRD studies which reveals the single phase formation of the reported compounds with hexagonal structure and space group P63cm (JCPDS: 25-1079). Further the XRD data of reported compounds were analyzed by RIETVELD (FULLPROFF) method which shows the decrease in the lattice parameter with increasing concentration of divalent strontium to Y-site. The observed pointed kinks in the specific heat study are indicative of the probable coupling in between the electric and magnetic orders in this class of materials. The reported systematic specific heat studies shows that the antiferromagnetic (AFM) transition temperature (TN) shifts to higher value with increasing concentration of Sr2+ ion in the YMnO3 compound which is attributed to the enhanced lattice contribution to the specific heat in the this compound. The present compound shows the independence of specific heat and magnetic transition temperature with applied magnetic field of 8T and 12T.

  11. A conceptual model to evaluate potential watershed nitrogen saturation in the Great Smoky Mountains

    SciTech Connect

    Nicholas, N.S.; Van Miegroet, H.; Zucker, S.J.; Rose, A.K.

    1998-12-31

    Even though Title IV of the 1990 Clean Air Act Amendments requires significant reduction in utility nitrogen oxides emissions, the recent 1995 EPA Acid Deposition Standard Feasibility Study Report to Congress assumes that watersheds in the Southern Blue Ridge Province will eventually reach nitrogen saturation given historic and current deposition rates. Because of high atmospheric deposition levels (i.e., N loadings {approximately} 1900 eq/ha/yr 30 kg/ha/yr), much focus has been centered on the high elevation forests in the Southern Appalachians. Most nitrogen saturation scenarios focus on steady state forest conditions with little consideration for the role of natural disturbance regimes. However, in recent years, at least partly due to exotic insect infestation, the high elevation spruce-fir forests (Picea rubens-Abies fraseri) in the Smokies have developed a heterogeneous structure with numerous gaps and a large variation in stand age, number of live and dead standing trees, and amount of coarse woody debris on the forest floor. Assessment of nitrogen saturation status in this type of disturbed system requires more than a simple calculation of nitrogen input and export levels. This multi-year research, which has been funded by the National Park Service, the Tennessee Valley Authority, the US Department of Agriculture, and the US Geological Survey includes measurement of the three categories of factors that control nitrogen saturation including external (atmospheric) inputs, soil properties, and vegetation characteristics. The authors will discuss a conceptual model for a high elevation watershed in the Great Smoky Mountains National Park to examine potential nitrogen saturation in disturbed systems based on soil nitrogen levels, input and output fluxes, and quantification of potential nitrogen source and sink areas within the catchment.

  12. Temporal characterization and regional contribution to O3 and NOx at an urban and a suburban site in Nanjing, China.

    PubMed

    Xie, Min; Zhu, Kuanguang; Wang, Tijian; Chen, Pulong; Han, Yong; Li, Shu; Zhuang, Bingliang; Shu, Lei

    2016-05-01

    To improve our understanding of the interplay among local and regional photochemical pollutants in the typical city of the Yangtze River Delta (YRD) region, the concurrent observation of O3 and NOx concentrations at an urban and a suburban site in Nanjing during 2008 is presented. In general, the annual mean O3 concentration is 2.35ppbv lower in the downtown than at suburban due to higher NOx pollution levels correlated with heavy traffic. At both sites, O3 shows a distinct seasonality with the spring maximum and the winter minimum, while the minimum concentration of NOx appears in summertime. Besides the chemical processes of O3 sensitivity in the daytime and the NOx titration at night, meteorological conditions also play an essential role in these monthly and diurnal variations. The ozone weekend effect that can be attributed to the weekly routine of human activities is observed in the urban atmosphere of Nanjing as well, with O3 concentrations 2.09ppbv higher and NOx concentrations 6.20ppbv lower on weekends than on weekdays. The chemical coupling of NO, NO2 and O3 is investigated to show that the OX-component (O3 and NO2) partitioning point occurs at about 35ppbv for NOx, with O3 being the dominant form at lower levels and NO2 dominating at higher levels. And it is also discovered that the level of OX is made up of two contributions, including the regional contribution affected by regional background O3 level and the local contribution correlated with the level of primary pollution. The diurnal peak of regional contribution appears 2-5h after the peak of local contribution, implying that OX in Nanjing might prominently affected by the pollutants from a short distance. The highest regional contribution and the second highest local contribution lead to the spring peak of O3 observed in Nanjing, whereas the highest local contribution and the moderate regional contribution make the O3 concentrations in summer higher than those in autumn and winter. Our results

  13. Temporal characterization and regional contribution to O3 and NOx at an urban and a suburban site in Nanjing, China.

    PubMed

    Xie, Min; Zhu, Kuanguang; Wang, Tijian; Chen, Pulong; Han, Yong; Li, Shu; Zhuang, Bingliang; Shu, Lei

    2016-05-01

    To improve our understanding of the interplay among local and regional photochemical pollutants in the typical city of the Yangtze River Delta (YRD) region, the concurrent observation of O3 and NOx concentrations at an urban and a suburban site in Nanjing during 2008 is presented. In general, the annual mean O3 concentration is 2.35ppbv lower in the downtown than at suburban due to higher NOx pollution levels correlated with heavy traffic. At both sites, O3 shows a distinct seasonality with the spring maximum and the winter minimum, while the minimum concentration of NOx appears in summertime. Besides the chemical processes of O3 sensitivity in the daytime and the NOx titration at night, meteorological conditions also play an essential role in these monthly and diurnal variations. The ozone weekend effect that can be attributed to the weekly routine of human activities is observed in the urban atmosphere of Nanjing as well, with O3 concentrations 2.09ppbv higher and NOx concentrations 6.20ppbv lower on weekends than on weekdays. The chemical coupling of NO, NO2 and O3 is investigated to show that the OX-component (O3 and NO2) partitioning point occurs at about 35ppbv for NOx, with O3 being the dominant form at lower levels and NO2 dominating at higher levels. And it is also discovered that the level of OX is made up of two contributions, including the regional contribution affected by regional background O3 level and the local contribution correlated with the level of primary pollution. The diurnal peak of regional contribution appears 2-5h after the peak of local contribution, implying that OX in Nanjing might prominently affected by the pollutants from a short distance. The highest regional contribution and the second highest local contribution lead to the spring peak of O3 observed in Nanjing, whereas the highest local contribution and the moderate regional contribution make the O3 concentrations in summer higher than those in autumn and winter. Our results

  14. Highly dispersed SiOx/Al2O3 catalysts illuminate the reactivity of isolated silanol sites

    DOE PAGES

    Mouat, Aidan R.; George, Cassandra; Kobayashi, Takeshi; Pruski, Marek; van Duyne, Richard P.; Marks, Tobin J.; Stair, Peter C.

    2015-09-23

    The reaction of γ-alumina with tetraethylorthosilicate (TEOS) vapor at low temperatures selectively yields monomeric SiOx species on the alumina surface. These isolated (-AlO)3Si(OH) sites are characterized by PXRD, XPS, DRIFTS of adsorbed NH3, CO, and pyridine, and 29Si and 27Al DNP-enhanced solid-state NMR spectroscopy. The formation of isolated sites suggests that TEOS reacts preferentially at strong Lewis acid sites on the γ-Al2O3 surface, functionalizing the surface with “mild” Brønsted acid sites. As a result, for liquid-phase catalytic cyclohexanol dehydration, these SiOx sites exhibit up to 3.5-fold higher specific activity than the parent alumina with identical selectivity.

  15. Quantitative study of band structure in BaTiO3 particles with vacant ionic sites

    NASA Astrophysics Data System (ADS)

    Oshime, Norihiro; Kano, Jun; Ikeda, Naoshi; Teranishi, Takashi; Fujii, Tatsuo; Ueda, Takeji; Ohkubo, Tomoko

    2016-10-01

    Levels of the conduction band minimum and the valence band maximum in ion-deficient BaTiO3 particles were investigated with optical band gap and ionization energy measurements. Though it is known that the quantification of the band structure in an insulator is difficult, due to the poor electrical conductivity of BaTiO3, systematic variation in the band energy levels was found that correlated with the introduction of vacancies. Photoelectron yield spectroscopy provided direct observation of the occupancy level of electrons, which is altered by the presence of oxygen and barium vacancies. In addition, the conduction band deviation from the vacuum level was determined by optical reflectance spectroscopy. Our results show that: (1) Introduction of oxygen vacancies forms a donor level below the conduction band. (2) The conduction band is shifted to a lower level by a larger number of oxygen vacancies, while the valence band also shifts to a lower level, due to the reduction in the density of O 2p orbitals. (3) Introduction of barium vacancies widens the band gap. Since barium vacancies can induce a small number of oxygen vacancies with accompanying charge compensation, this behavior suppresses any large formation of donor levels in the gap states, indicating that cation vacancies can control the number of both donor and acceptor levels.

  16. Nitrogen saturation in northern forest ecosystems: Excess nitrogen from fossil-fuel combustion may stress the biosphere

    SciTech Connect

    Aber, J.D.; Nadelhoffer, K.J.; Steudler, P.; Melillo, J.M.

    1989-01-01

    In the article the authors provide a formal definition of nitrogen saturation and set forth a series of testable hypotheses regarding the states of forest-ecosystem response to chronic nitrogen deposition. These hypotheses are used to suggest early indicators of nitrogen saturation and to discuss the potential implications of nitrogen saturation of forest ecosystems over large geographic areas. Possible effects include elevated concentrations of nitrate, aluminum, and hydrogen in streams, which would decrease water quality; frost damage or other disruptions of physiological function that would reduce productivity in conifer stands; increase cation leaching from soils and nitrate losses that would lead to reduced soil fertility and increased acidity; and possible increases in emissions of trace gases such as nitrous oxide, which may alter atmospheric chemistry and contribute to the warming of Earth's atmosphere (the greenhouse effect).

  17. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3.

    PubMed

    Wang, Y L; Liu, M F; Liu, R; Xie, Y L; Li, X; Yan, Z B; Liu, J-M

    2016-01-01

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder. PMID:27297396

  18. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3.

    PubMed

    Wang, Y L; Liu, M F; Liu, R; Xie, Y L; Li, X; Yan, Z B; Liu, J-M

    2016-06-14

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder.

  19. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3

    NASA Astrophysics Data System (ADS)

    Wang, Y. L.; Liu, M. F.; Liu, R.; Xie, Y. L.; Li, X.; Yan, Z. B.; Liu, J.-M.

    2016-06-01

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder.

  20. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3

    PubMed Central

    Wang, Y. L.; Liu, M. F.; Liu, R.; Xie, Y. L.; Li, X.; Yan, Z. B.; Liu, J.-M.

    2016-01-01

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder. PMID:27297396

  1. Tuning of magnetic ordering by Y substitution onto Tb site in the nanocrystalline TbMnO3

    NASA Astrophysics Data System (ADS)

    Chakraborty, Keka R.; Shukla, Rakesh; Kaushik, S. D.; Mukadam, M. D.; Siruguri, V.; Tyagi, A. K.; Yusuf, S. M.

    2015-10-01

    We report the magnetic properties, of nano-crystalline powders Tb1-xYxMnO3 (x = 0, 0.1, 0.2, 0.3 and 0.4), as perceived by neutron diffraction, and elucidate the effect of Tb site substitution on the magnetic structure of TbMnO3. All samples crystallized in the orthorhombic structure conforming to space group Pnma, and exhibited an incommensurate collinear antiferromagnetic ordering of the Mn ions below ˜40 K. Furthermore, at T ≤ 20 K, all these samples showed a change in magnetic structure (of Mn moments) to a spiral ordering down to 2 K, the lowest measured temperature. For the samples with x = 0, 0.1, and 0.2, a short-ranged two dimensional (2D) ordering of Tb moments was also observed at 2 K. However, for the other samples (x = 0.3 and 0.4), no magnetic ordering of Tb moments was found down to 2 K. So with Y substitution, a crossover from 2D ordering to a disordering of Tb moments was observed. The moments at the Mn site were found to be lower than the full Mn3+ (4μB) moment for all the samples below 40 K. The magnetic properties of all the samples studied by us in nano form are more pronounced than those of the reported single crystals of same compositions [V. Yu. Ivanov et al., JETP Lett. 91, 392-397 (2010)].

  2. Local fields at nonmagnetic impurity sites in a perovskite La 0 . 7 Ca 0 . 3 MnO 3

    NASA Astrophysics Data System (ADS)

    Sato, W.; Komatsuda, S.; Osa, A.; Sato, T. K.; Ohkubo, Y.

    2016-12-01

    The magnetic hyperfine field and electric field gradient at the 111Cd(leftarrow ^{111m}Cd) and 111Cd(leftarrow ^{111}In) probe nuclei introduced in a perovskite manganese oxide La0.7Ca0.3MnO3 ( T C ˜ 250 K) were measured for the study of the local magnetism and structure by means of time-differential perturbed angular correlation spectroscopy. In the ferromagnetic phase at 77 K, a very slight supertransferred magnetic hyperfine field (SMHF) (< 0.014 T) combined with a well-defined electric field gradient was observed at the nonmagnetic 111Cd nucleus on the La/Ca A site. This observation suggests that the large magnetic hyperfine field ( B h f = 6.9 T) measured, in our previous work, at the 140Ce probe nucleus on the A site originates from the contribution of a 4 f spin oriented by the SMHF from adjacent Mn ions.

  3. Enhanced piezoelectricity in (1 -x)Bi1.05Fe1-yAyO3-xBaTiO3 lead-free ceramics: site engineering and wide phase boundary region.

    PubMed

    Zheng, Ting; Jiang, Zhenggen; Wu, Jiagang

    2016-07-28

    Site engineering has been employed to modulate the piezoelectric activity of high temperature (1 -x)Bi1.05Fe1-yScyO3-xBaTiO3 lead-free ceramics fabricated by a conventional solid-state method together with a quenching technique. The effects of x and y content on the phase structure, microstructure, and electrical properties have been investigated in detail. A wide rhombohedral (R) to pseudo-cubic (C) phase boundary was formed in the ceramics with x = 0.30 and 0 ≤y≤ 0.07, thus leading to enhanced piezoelectricity (d33 = 120-180 pC N(-1)), ferroelectricity (Pr = 19-22 μC cm(-2)) and a high Curie temperature (TC = 478-520 °C). In addition, the influence of different element substitutions for Fe(3+) on phase structure and electrical behavior was also investigated. Improved piezoelectricity (d33 = 160-180 pC N(-1)) and saturated P-E loops can be simultaneously achieved in the ceramics with A = Sc, Ga, and Al due to the R-C phase boundary. As a result, site engineering may be an efficient way to modulate the piezoelectricity of BiFeO3-BaTiO3 lead-free ceramics. PMID:27357104

  4. Analysis of nitrogen saturation potential in Rocky Mountain tundra and forest: implications for aquatic systems

    USGS Publications Warehouse

    Baron, Jill S.; Ojima, Dennis S.; Holland, Elisabeth A.; Parton, William J.

    1994-01-01

    We employed grass and forest versions of the CENTURY model under a range of N deposition values (0.02–1.60 g N m−2 y−1) to explore the possibility that high observed lake and stream N was due to terrestrial N saturation of alpine tundra and subalpine forest in Loch Vale Watershed, Rocky Mountain National Park, Colorado. Model results suggest that N is limiting to subalpine forest productivity, but that excess leachate from alpine tundra is sufficient to account for the current observed stream N. Tundra leachate, combined with N leached from exposed rock surfaces, produce high N loads in aquatic ecosystems above treeline in the Colorado Front Range. A combination of terrestrial leaching, large N inputs from snowmelt, high watershed gradients, rapid hydrologic flushing and lake turnover times, and possibly other nutrient limitations of aquatic organisms constrain high elevation lakes and streams from assimilating even small increases in atmospheric N. CENTURY model simulations further suggest that, while increased N deposition will worsen the situation, nitrogen saturation is an ongoing phenomenon.

  5. Effects of A-site nonstoichiometry on oxide ion conduction in 0.94Bi0.5Na0.5TiO3-0.06BaTiO3 ceramics

    NASA Astrophysics Data System (ADS)

    Prasertpalichat, Sasiporn; Schmidt, Whitney; Cann, David P.

    2016-06-01

    Lead free 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO3 ceramics were prepared by conventional solid-state mixed oxide route with the A-site stoichiometry modified to incorporate donor-doping (through Bi-excess) and acceptor-doping (through Na-excess). Both stoichiometric and nonstoichiometric ceramics exhibited a single perovskite phase with pseudo-cubic symmetry. A significant improvement in the dielectric properties was observed in Bi-excess compositions and a deterioration in the dielectric properties was observed in Na-excess compositions. Impedance spectroscopy was utilized to analyze the effects of A-site nonstoichiometry on conduction mechanisms. Compositions with Bi-excess resulted in an electrically homogeneous microstructure with an increase in resistivity by ˜3-4 orders of magnitude and an associated activation energy of 1.57eV which was close to half of the optical bandgap. In contrast, an electrically heterogeneous microstructure was observed in both the stoichiometric and Na-excess compositions. In addition, the Na-excess compositions exhibited low resistivities (ρ˜103Ω-cm) with characteristic peaks in the impedance data comparable to the recent observations of oxide ion conduction in (Bi0.5Na0.5)TiO3. Long term annealing studies were also conducted at 800∘C to identify changes in crystal structure and electrical properties. The results of this study demonstrates that the dielectric and electrical properties of 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO3 ceramics are very sensitive to Bi/Na stoichiometry.

  6. Electronic and magnetic properties of GaFeO3: Ab initio calculations for varying Fe/Ga ratio, inner cationic site disorder, and epitaxial strain

    NASA Astrophysics Data System (ADS)

    Atanelov, J.; Mohn, P.

    2015-09-01

    In this study we present ab initio density-functional theory calculations on stoichiometric, cation-doped, and strained GaFeO 3 . We start with a detailed discussion of the origin of the antiferromagnetic (AFM) superexchange in stoichiometric GaFeO 3 and give a molecular orbital description of the exchange mechanism derived from our calculations. In addition, we study the properties of the Fe-O-Fe bonds for different geometries to underline the angle and distance dependence of the AFM coupling as formulated in the Goodenough-Kanamori rules. We describe the AFM ground state of GaFeO 3 as a result of two intrinsic Fe-O-Fe chains that meander through the crystal along the c direction. The magnetocrystalline anisotropy energies are calculated for the stoichiometric phase with and without inner cationic site disorder, and the presence of a sublattice-dependent anisotropy is examined. Furthermore, we perform our studies of Ga2 -xFe xO3 for varying Fe concentrations x (0.0 ≤x ≤2.0 ) where at a value of x =0.0 and x =2.0 it transforms into the isomorphic ɛ -Ga 2O3 and ɛ -Fe 2O3 phases, respectively. The effect of strain was also studied. Incorporating dopants and applying strain to the simulation cell changes the intrinsic geometry and thus the magnetic properties of gallium ferrite.

  7. Charge distribution and hyperfine interactions in the vicinity of impurity sites in In2O3 doped with Fe, Co, and Ni

    NASA Astrophysics Data System (ADS)

    Sena, C.; Costa, M. S.; Muñoz, E. L.; Cabrera-Pasca, G. A.; Pereira, L. F. D.; Mestnik-Filho, J.; Carbonari, A. W.; Coaquira, J. A. H.

    2015-08-01

    In this paper, first-principles calculations based on density functional theory (DFT) were used to determine TM (TM=Fe, Ni, Co) and Cd impurity locations in the In2O3 host structure, their charge states, the electronic and structural relaxations induced in the host lattice as well as to interpret previous and supplementary experimental results of hyperfine interactions. Different techniques were carried out to characterize TM-doped In2O3 bulk samples prepared by the sol-gel method starting from very pure metals. Perturbed angular correlation (PAC) spectroscopy, a sensitive nuclear technique capable of measuring interactions from electronic charge and spins within an atomic distance, was used to experimentally determine hyperfine interactions at cation sites of In2O3 doped with Co and Ni using 111In →111Cd as probe nuclei. Room temperature results of magnetization measurements in In2O3 doped with Fe, Co and Ni show ferromagnetic ordering coexisting with a paramagnetic behavior for all samples. Results of PAC spectroscopy and DFT calculations show that TM atoms locate as second nearest neighbors of Cd probes preferentially occupy symmetric sites of the doped In2O3 crystal structure with lattice parameters slightly different from that of pure In2O3. Moreover, while a major population of 111Cd probes observes almost the same hyperfine interactions measured for pure In2O3, a small population detects magnetic dipole interactions with magnetic hyperfine field at Cd probes of 2.6 T, 3.1 T, and 4.6 T, respectively for Ni, Co, and Fe doping presenting an almost linear dependence on the number of unpaired 3d electrons of the transition metal impurity.

  8. Atomic arrangements around the O3 site in Al- and Cr-rich oxy-tourmalines: a combined EMP, SREF, FTIR and Raman study

    NASA Astrophysics Data System (ADS)

    Bosi, Ferdinando; Skogby, Henrik; Lazor, Peter; Reznitskii, Leonid

    2015-06-01

    A study of natural oxy-tourmalines belonging to the system oxy-dravite-chromo-alumino-povondraite-oxy-chromium-dravite from the Sludyanka crystalline complex (Southern Baikal region, Russia) was carried out to explore the characteristic vibrational bands in the principal (OH)-stretching frequency and their relations to the O3 anion site of the tourmaline structure. Relevant information was obtained using electron microprobe analysis (EMPA), structural refinement (SREF), infrared (IR) and Raman single-crystal spectroscopy. The studied oxy-tourmalines are characterized by the substitution Al ↔ Cr, which is accompanied by redistribution of Mg over the Y and Z sites. The occurrence of strong correlations between relative peak area intensities for two IR bands at 3,565 and 3,519 cm-1 and cation site populations derived from SREF and EMP data allowed assignment of the band at 3,565 cm-1 to the cluster [ Y Mg Z Al Z (Al,Mg)]-O3 and the band at 3,519 cm-1 to the cluster [ Y Cr Z (Cr,Al) Z (Cr,Al,Mg))]-O3. It appears that the combination of polarized IR and Raman spectra collected with the electric vector E⊥ c and E// c may provide a useful characterization of the local (OH) environments around the O3 site of the tourmaline structure.

  9. Methane oxidation over A-site ordered and disordered Sr(0.8)Gd(0.2)CoO(3-δ) perovskites.

    PubMed

    Vereshchagin, Sergei N; Solovyov, Leonid A; Rabchevskii, Evgenii V; Dudnikov, Vyacheslav A; Ovchinnikov, Sergey G; Anshits, Alexander G

    2014-06-11

    A tetragonal phase Sr0.8Gd0.2CoO3-δ with ordered Gd(3+)/Sr(2+) ions and oxygen vacancy sites is found to be about five times less active in the reaction of methane combustion than a quenched cubic perovskite phase with randomly distributed (disordered) Gd(3+)/Sr(2+) ions over the A-sites of the crystal lattice. PMID:24777361

  10. Infrared Spectroscopic Study of the Adsorption of HCN by gamma-Al2O3: Competition with Triethylenediamine for Adsorption Sites

    SciTech Connect

    Kim, S.; Sorescu, D.C.; Yates, J.T., Jr.

    2007-04-12

    The adsorption and vibrational properties of chemisorbed HCN on Lewis acid sites, Lewis base sites, and Brønsted Al-OH acid sites on a partially hydroxylated [gamma]-Al2O3 surface have been obtained by a combination of FTIR and density functional theory studies. The vibrational modes from the molecular and dissociative adsorption of HCN were assigned by using deuterium and 13C-labeled D13CN molecules at 170 K. In addition, [eta]2(C, N)-HCN bonding is also found from the [nu](CdN) vibrational spectra. Good correlation of the calculated vibrational frequencies for the adsorbed species with experimental data is found. The effect of triethylenediamine (TEDA) (also called 1, 4-diazabicyclo [2.2.2]octane, DABCO) on the adsorption of hydrogen cyanide (HCN) on the high area [gamma]-Al2O3 surface has been investigated using transmission FTIR spectroscopy. During HCN adsorption on TEDA-functionalized surfaces, there is no spectral change or emerging feature in either the TEDA or HCN spectral regions, indicating that no direct interaction occurs between these two molecules. Instead, we found that TEDA competes with HCN for the active sites on [gamma]-Al2O3. The observed [nu](C [identical with] N) mode on a TEDA-precovered surface is due to the HCN adsorption on Lewis base sites (Al-O-Al) which are less affected by TEDA preadsorption.

  11. Enhanced Removal of Arsenic and Antimony in the Mining Site by Calcined γ-Fe2O3/Layered Double Hydroxide Nanocomposite

    NASA Astrophysics Data System (ADS)

    Lee, Sang-Ho; Choi, Heechul; Kim, Kyoung-Woong

    2016-04-01

    chemical complexation between γ-Fe2O3 and LDH in the nanocomposite. The saturation magnetization of raw γ-Fe2O3 and calcined γ-Fe2O3/LDH nanocomposite were 63.2 and 14.3 emu/g, respectively. Although there was distinct decrease of saturation magnetization of calcined γ-Fe2O3/LDH nanocomposite, the particles were rapidly separated by external magnetic field. The kinetic study revealed that the removal of arsenic and antimony reached equilibrium quickly at about 120 min for initial concentration of 50 mg/L. The regeneration rate of arsenic may retain 70% for five regeneration cycles by 0.5M NaOH with 5M NaCl solution, whereas antimony showed lower regenerability than arsenic due to the higher irreversible fraction in calcined γ-Fe2O3/LDH nanocomposite. Consequently, the effective removal efficiency for arsenic and antimony with its easy magnetic separation makes γ-Fe2O3/LDH nanocomposite be a potential for the field application in the contaminated sites including several mining sites in Korea.

  12. Investigation of magnetic phase transitions in B-site disordered PbBxB'1-xO3 (B = Fe, Co and B' = Nb, Ta)

    NASA Astrophysics Data System (ADS)

    Chillal, Shravani; Popova, Elena; Eulf, Erik; Gvasaliya, Severian; Shaplygina, Tatiana; Lushnikov, Sergey; Zheludev, Andrey

    2012-02-01

    Materials such as PbFe0.5Nb0.5O3 (PFN-0.5)/ PbFe0.5Ta0.5O3 (PFT-0.5) and PbCo0.33Nb0.67O3 (PCN-0.33) are relaxor ferroelectrics. PbFe0.5Nb0.5O3 (PFN-0.5) also shows anti-ferromagnetic order below ˜ 143 K. Though multiferroicity is an important property of PFN-0.5, its uniqueness stems from coexisting anti-ferromagnetic and spinglass phases below ˜ 12 K. Presently, it is the only known such case in a Heisenberg 3D spin system. We report a first systematic study of the H-T phase diagram of PFN-0.5 and discuss the results in the context of existing theories. In addition, we study the magnetic properties of PFT-0.5 and PCN-0.33. While PFN-0.5 and PFT-0.5 demonstrate similar behavior, PCN-0.33 does not show any anomalies that could signify magnetic ordering. We propose that the observed dramatic differences may result from partial B-site ordering.

  13. Heterogeneous distribution of B-site cations in BaZrxTi1-xO3 epitaxial thin films grown on (0 0 1) SrTiO3 by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Ventura, J.; Polo, M. C.; Ferrater, C.; Hernández, S.; Sancho-Parramón, J.; Coy, L. E.; Rodríguez, L.; Canillas, A.; Fábrega, L.; Varela, M.

    2016-09-01

    The isovalent susbstitution of Ti4+ by Zr4+ in BaZrxTi1-xO3 modifies the dielectric character of ferroelectric BaTiO3 yielding different behaviours such as relaxor, polar cluster, etc. The dynamic coupling between BaTiO3 polar nanoregions and BaZrO3 nonpolar ones as well as microstrain between them are thought to be behind such a rich phase diagram. However, these short-range compositonal variations are elusive to detect and this topic is thus rarely addressed. We have grown epitaxial thin films of BaZrxTi1-xO3 on (0 0 1)-oriented SrTiO3 substrates by pulsed laser deposition sweeping the entire composition range between BaTiO3 and BaZrO3 in increments of 0.1 in x. Several characterization techniques (AFM, TEM, XRD, Raman spectroscopy) were used for this research in order to understand the morphological and structural properties of the deposited films. Ellipsometric measurements allowed the calculation of the band gap energy of the films. This work demonstrates the existence of a heterogeneous distribution in the substitution of titanium by zirconium yielding relaxor and polar cluster nanoregions.

  14. A case study of nitrogen saturation in western U.S. forests.

    PubMed

    Fenn, M E; Poth, M A

    2001-11-01

    Virtually complete nitrification of the available ammonium in soil and nitrification activity in the forest floor are important factors predisposing forests in the San Bernardino Mountains of southern California to nitrogen (N) saturation. As a result, inorganic N in the soil solution is dominated by nitrate. High nitrification rates also generate elevated nitric oxide (NO) emissions from soil. High-base cation saturation of these soils means that soil calcium depletion or effects associated with soil acidification are not an immediate risk for forest health as has been postulated for mesic forests in the eastern U.S. Physiological disturbance (e.g., altered carbon [C] cycling, reduced fine root biomass, premature needle abscission) of ozone-sensitive ponderosa pine trees exposed to high N deposition and high ozone levels appear to be the greater threat to forest sustainability. However, N deposition appears to offset the aboveground growth depression effects of ozone exposure. High nitrification activity reported for many western ecosystems suggests that with chronic N inputs these systems are prone to N saturation and hydrologic and gaseous losses of N. High runoff during the winter wet season in California forests under a Mediterranean climate may further predispose these watersheds to high nitrate leachate losses. After 4 years of N fertilization at a severely N saturated site in the San Bernardino Mountains, bole growth unexpectedly increased. Reduced C allocation below- ground at this site, presumably in response to ozone or N or both pollutants, may enhance the bole growth response to added N. PMID:12805801

  15. Effects of the A-site cation number on the properties of Ln5/8M3/8MnO 3 manganites

    NASA Astrophysics Data System (ADS)

    Collado, J. A.; García-Muñoz, J. L.; Aranda, M. A. G.

    2010-05-01

    The properties of manganites can be tuned by changing the doping level x in Ln1-xM xMnO 3. A second mechanism allows tuning of magnetic and electronic properties, for fixed x values, by varying the average A-cation radius, < r A>. Moreover, for fixed x and < r A> values, the changes in the A-cation size variance, σ2, also modify the ferromagnetic and metal-insulator transition temperatures. Here, we investigate the influence of the number of A-site cations on Ln5/8M3/8MnO 3 manganites, where x, < r A> and σ2 values are kept constant, and in the absence of phase separation phenomena. We have found that the number of cation species at the A site ( N A) has a strong influence on the width of the ferromagnetic and metal-insulator transitions, and a small influence on the average transition temperature. This behavior is opposite to that observed for increasing values of the variance σ2 in manganites, with the same x and < r A> values, where average transition temperatures are strongly reduced.

  16. Strong magnetic frustration and anti-site disorder causing spin-glass behavior in honeycomb Li2RhO3.

    PubMed

    Katukuri, Vamshi M; Nishimoto, Satoshi; Rousochatzakis, Ioannis; Stoll, Hermann; van den Brink, Jeroen; Hozoi, Liviu

    2015-01-01

    With large spin-orbit coupling, the electron configuration in d-metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In 5d(5) iridates, given the existing variety of crystal structures, the magnetic anisotropy can be tuned from antisymmetric to symmetric Kitaev-type, with interaction strengths that outsize the isotropic terms. By many-body electronic-structure calculations we here address the nature of the magnetic exchange and the intriguing spin-glass behavior of Li2RhO3, a 4d(5) honeycomb oxide. For pristine crystals without Rh-Li site inversion, we predict a dimerized ground state as in the isostructural 5d(5) iridate Li2IrO3, with triplet spin dimers effectively placed on a frustrated triangular lattice. With Rh-Li anti-site disorder, we explain the observed spin-glass phase as a superposition of different, nearly degenerate symmetry-broken configurations. PMID:26434954

  17. Effect of Surface Site Interactions on Potentiometric Titration of Hematite (α-Fe2O3) Crystal Faces

    SciTech Connect

    Chatman, Shawn ME; Zarzycki, Piotr P.; Preocanin, Tajana; Rosso, Kevin M.

    2013-02-01

    Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well defined hematite/aqueous electrolyte interfaces. Our recently proposed thermodynamic model [1,23] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly organized (001), (012), and (113) crystal face terminations using pH equilibration times ranging from 15 to 30 mins. Hysteresis loop areas indicate that (001) faces equilibrate faster than the (012) and (113) faces, consistent with the different expected ensembles of singly, doubly, and triply coordinated surface sites on each face. Strongly non-linear hysteretic pH-potential relationships were found, with slopes exceeding Nernstian, collectively indicating that protonation and deprotonation is much more complex than embodied in present day surface complexation models. The asymmetrical shape of the acidimetric and alkalimetric titration branches were used to illustrate a proposed steric "leaky screen" repulsion/trapping interaction mechanism that stems from high affinity singly-coordinated sites electrostatically and sterically screening lower affinity doubly and triply coordinated sites. Our data indicate that site interaction is the dominant phenomenon defining surface potential accumulation behavior on single crystal faces of metal oxide minerals.

  18. Methanol Synthesis over Cu/ZnO/Al2O3: The Active Site in Industrial Catalysis

    SciTech Connect

    Behrens, Malte

    2012-03-28

    Unlike homogeneous catalysts, heterogeneous catalysts that have been optimized through decades are typically so complex and hard to characterize that the nature of the catalytically active site is not known. This is one of the main stumbling blocks in developing rational catalyst design strategies in heterogeneous catalysis. We show here how to identify the crucial atomic structure motif for the industrial Cu/ZnO/Al{sub 2}O{sub 3} methanol synthesis catalyst. Using a combination of experimental evidence from bulk-, surface-sensitive and imaging methods collected on real high-performance catalytic systems in combination with DFT calculations. We show that the active site consists of Cu steps peppered with Zn atoms, all stabilized by a series of well defined bulk defects and surface species that need jointly to be present for the system to work.

  19. Role of [FeOx(OH)y] surface sites on the adsorption of β-lactamic antibiotics on Al2O3 supported Fe oxide.

    PubMed

    Pinto, Paula S; Medeiros, Tayline P V; Ardisson, José D; Lago, Rochel M

    2016-11-01

    In this work, [FeOx(OH)y]/Al2O3 composites with different Fe oxyhydroxy contents, i.e. 10, 20 and 50wt% treated at 150, 200, 300 and 450°C were investigated as adsorbents of β-lactamic antibiotics, i.e. cephalexin, ceftriaxone and especially amoxicillin, from aqueous solutions. The obtained results showed that the nature of the surface Fe(3+) species play a fundamental role on the adsorption process. The most efficient adsorption was obtained for the sample 150Fe50A (50% [FeOx(OH)y] supported in Al2O3 treated at 150°C) whereas the thermal treatment at higher temperatures caused a strong decrease on the adsorption capacity. Mössbauer, XRD, FTIR, Raman, TG-MS, SEM, CHN and BET of the composite 150Fe50A suggested an approximate composition of FeO0.65(OH)1.7 whereas at 450°C strong dehydroxylation process takes place to form FeO1.4(OH)0.21. These results combined with competitive adsorption using amoxicillin mixed with phosphate or H2O2 suggest that the antibiotic molecules adsorb by complexation on surface sites likely based on FeOx(OH)y by the replacement of the labile OH ligands.

  20. Role of [FeOx(OH)y] surface sites on the adsorption of β-lactamic antibiotics on Al2O3 supported Fe oxide.

    PubMed

    Pinto, Paula S; Medeiros, Tayline P V; Ardisson, José D; Lago, Rochel M

    2016-11-01

    In this work, [FeOx(OH)y]/Al2O3 composites with different Fe oxyhydroxy contents, i.e. 10, 20 and 50wt% treated at 150, 200, 300 and 450°C were investigated as adsorbents of β-lactamic antibiotics, i.e. cephalexin, ceftriaxone and especially amoxicillin, from aqueous solutions. The obtained results showed that the nature of the surface Fe(3+) species play a fundamental role on the adsorption process. The most efficient adsorption was obtained for the sample 150Fe50A (50% [FeOx(OH)y] supported in Al2O3 treated at 150°C) whereas the thermal treatment at higher temperatures caused a strong decrease on the adsorption capacity. Mössbauer, XRD, FTIR, Raman, TG-MS, SEM, CHN and BET of the composite 150Fe50A suggested an approximate composition of FeO0.65(OH)1.7 whereas at 450°C strong dehydroxylation process takes place to form FeO1.4(OH)0.21. These results combined with competitive adsorption using amoxicillin mixed with phosphate or H2O2 suggest that the antibiotic molecules adsorb by complexation on surface sites likely based on FeOx(OH)y by the replacement of the labile OH ligands. PMID:27318729

  1. Influence of Ni substitution at B-site for Fe3+ ions on morphological, optical, and magnetic properties of HoFeO3 ceramics

    NASA Astrophysics Data System (ADS)

    Habib, Zubida; Majid, Kowsar; Ikram, Mohd.; Sultan, Khalid; Mir, Sajad Ahmad; Asokan, K.

    2016-05-01

    Present study reports the effect of Ni substitution at B-site in HoFeO3 on the morphological, optical and magnetic properties. These compounds were prepared by solid-state reaction method. Scanning electron microscope reveals an increase in average grain sizes with Ni concentration. Absorption and emission spectra show redshift in band gap with increase in Ni ion concentrations. The Tauc plots show direct allowed transitions. Temperature-dependent magnetization studies on these compounds revealed the transition from ferromagnetism to paramagnetism. There is separation between temperature at which zero-field-cooled and field-cooled occurs at varied temperature with Ni substitution. The separation effect is related to the impact of the paramagnetic Ho3+ ions, whose magnitude becomes more prominent at higher temperature. The value of squareness ratio in these materials is below 0.5 indicating presence of multidomain structures.

  2. Site Redistribution, Partial Frozen-in Defect Chemistry, and Electrical Properties of Ba1-x(Zr,Pr)O3-δ.

    PubMed

    Antunes, Isabel; Mikhalev, Sergey; Mather, Glenn Christopher; Kharton, Vladislav Vadimovich; Figueiras, Fábio Gabriel; Alves, Adriana; Rodrigues, Joana; Correia, Maria Rosário; Frade, Jorge Ribeiro; Fagg, Duncan Paul

    2016-09-01

    Changes in nominal composition of the perovskite (ABO3) solid solution Ba1-x(Zr,Pr)O3-δ and adjusted firing conditions at very high temperatures were used to induce structural changes involving site redistribution and frozen-in point defects, as revealed by Raman and photoluminescence spectroscopies. Complementary magnetic measurements allowed quantification of the reduced content of Pr. Weak dependence of oxygen stoichiometry with temperature was obtained by coulometric titration at temperatures below 1000 °C, consistent with a somewhat complex partial frozen-in defect chemistry. Electrical conductivity measurements combined with transport number and Seebeck coefficient measurements showed prevailing electronic transport and also indicated trends expected for partial frozen-in conditions. Nominal Ba deficiency and controlled firing at very high temperatures allows adjustment of structure and partial frozen-in defect chemistry, opening the way to engineer relevant properties for high-temperature electrochemical applications. PMID:27509311

  3. Variations of surface O3 in August at a rural site near Shanghai: influences from the West Pacific subtropical high and anthropogenic emissions.

    PubMed

    He, Jingwei; Wang, Yuxuan; Hao, Jiming; Shen, Lulu; Wang, Long

    2012-11-01

    Large day-to-day variability in O(3) and CO was observed at Chongming, a remote rural site east of Shanghai, in August 2010. High ozone periods (HOPs) that typically lasted for 3-5 days with daily maximum ozone exceeding 102 ppb were intermittent with low ozone periods (LOPs) with daily maximum ozone less than 20 ppb. The correlation analysis of ozone with meteorological factors suggests that the large variations of surface ozone are driven by meteorological conditions correlated with the changes in the location and intensity of the west Pacific subtropical high (WPSH) associated with the East Asian summer monsoon (EASM). When the center of WPSH with weaker intensity is to the southeast of Chongming site, the mixing ratios and variability of surface ozone are higher. When the center of WPSH with stronger intensity is to the northeast of Chongming site, the mixing ratios and variability of surface ozone are lower. Sensitivity simulations using the GEOS-Chem chemical transport model indicate that meteorological condition associated with WPSH is the primary factor controlling surface ozone at Chongming in August, while local anthropogenic emissions make significant contributions to surface ozone concentrations only during HOP. PMID:22648346

  4. Effect of A Site and Oxygen Vacancies on the Structural and Electronic Properties of Lead-Free KTa0.5Nb0.5O3 Crystal

    NASA Astrophysics Data System (ADS)

    Yang, Wenlong; Wang, Li; Lin, Jiaqi; Li, Xiaokang; Xiu, Hanjiang; Shen, Yanqing

    2016-07-01

    The structural and electronic properties of lead-free potassium tantalite niobate KTa0.5Nb0.5O3 (KTN) with A site vacancies V_{{K}}0 , V_{{K}}^{1 - } and oxygen vacancies V_{{O}}0 , V_{{O}}^{2 + } , were investigated by first-principles calculations, which indicated that A site vacancies V_{{K}}0 are likely to form in the KTN compared with V_{{K}}^{1 - } , and oxygen vacancies V_{{O}}^{2 + } are likely to form compared with V_{{O}}0 in the KTN according to the investigation of formation energy. The results show that K and O vacancies have significant influence on the atomic interactions of the atoms and the electronic performance of the materials. And Ta atoms are more easily influenced by the K and O vacancies than the Nb atoms from the atomic displacements in KTN with K and O vacancies. The investigation of density of state indicates that the compensation of electrons in KTN with vacancies make the hybridization become stronger among Ta d, Nb d and O p orbitals. Besides, Mulliken population of all the Ta and Nb atoms in KTN with charged vacancies are influenced by complement electrons. The strength of the Nb-O bond is stronger than Ta-O based on the changes of bond lengths and Mulliken population.

  5. A-site deficient Ba 1- xCo 0.7Fe 0.2Ni 0.1O 3- δ cathode for intermediate temperature SOFC

    NASA Astrophysics Data System (ADS)

    Liu, Ze; Cheng, Ling-zhi; Han, Min-Fang

    A-site cation-deficient Ba 1- xCo 0.7Fe 0.2Nb 0.1O 3- δ (B 1- xCFN, x = 0.00-0.15) oxides are synthesized and evaluated as cathode materials for intermediate temperature solid oxide fuel cells (IT-SOFCs). The reactivity between B 1- xCFN and gadolinia doped ceria (GDC) is observed at different temperature, and no second phase is detected under 1050 °C. The increasing in A-site cation deficiency results in a steady decrease in cathode polarization resistance. Among the various B 1- xCFN oxides test, GDC based anode supported cells with B 0.9CFN cathode possess the smallest interfacial polarization resistance (R p). The R p is as low as 0.283 and 0.046 Ω cm 2 at 500 and 600 °C, respectively. The anode supported cell with B 0.9CFN provides maximum power densities of 1062 and 1139 mW cm -2 at 600 and 650 °C, respectively. The results suggest that B 0.9CFN is a great potential cathode material for IT-SOFCs.

  6. High affinity P2x-purinoceptor binding sites for [35S]-adenosine 5'-O-[3-thiotriphosphate] in rat vas deferens membranes.

    PubMed Central

    Michel, A. D.; Humphrey, P. P.

    1996-01-01

    1. The binding sites labelled by [35S]-adenosine 5'-O-[3-thiotriphosphate]([35S]-ATP gamma S) at 4 degrees C in rat vas deferens membranes were studied and compared to the sites labelled by [3H]-alpha,beta-methylene ATP ([3H]-alpha beta meATP) to ascertain whether [35S]-ATP gamma S can be used to label the P2x purinoceptor. 2. In the presence of 4 mM CaCl2, the binding of 0.2 nM [35S]-ATP gamma S to vas deferens membranes was increased 3.4 fold, when compared to studies performed in the absence of calcium. However, binding did not appear to be solely to P2x purinoceptors since [35S]-ATP gamma S labelled a heterogeneous population of sites and about 72% of the sites possessed high affinity (pIC50 = 7.5) for guanosine 5'-O-[3-thiotriphosphate] (GTP gamma S). Even in the presence of 1 microM GTP gamma S, to occlude the sites with high affinity for GTP gamma S, the binding of [35S]-ATP gamma S was heterogeneous and since there was also evidence of extensive metabolism of ATP in the presence of calcium, the binding of [35S]-ATP gamma S under these conditions was not studied further. 3. In the absence of calcium ions, [35S]-ATP gamma S bound to a single population of sites (pKD = 9.23; Bmax = 4270 fmol mg-1 protein). Binding reached steady state within 3 h (t1/2 = 38 min), was stable for a further 4 h and was readily reversible upon addition of 10 microM unlabelled ATP gamma S (t1/2 = 45 min). In competition studies the binding of 0.2 nM [35S]-ATP gamma S was inhibited by a number of P2x purinoceptor agonists and antagonists, but not by adenosine receptor agonists, staurosporine (1 microM) or several ATPase inhibitors. The rank order of agonist affinity estimates (pIC50 values) in competing for the [35S]-ATP gamma S binding sites was: ATP (9.01), 2-methylthio- ATP (8.79), ATP gamma S (8.73), alpha beta meATP (7.57), ADP (7.24), beta, gamma-methylene ATP (7.18), L-beta, gamma-methylene ATP (5.83), alpha, beta-methylene ADP (4.36). 4. Affinity estimates (pIC50 values) for

  7. Rapid synthesis, structure and photocatalysis of pure bismuth A-site perovskite of Bi(Mg3/8Fe2/8Ti3/8)O3.

    PubMed

    Zhang, Wenjuan; Chen, Jun; An, Xiaoxin; Wang, Qi; Fan, Longlong; Wang, Fangfang; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2014-06-28

    Bi(Mg3/8Fe2/8Ti3/8)O3, a member of a small group of pure Bi(3+) A site perovskites, exhibiting a high ferroelectric Curie point (Tc), was rapidly synthesized by a sample method of molten salt synthesis. The purity of Bi(Mg3/8Fe2/8Ti3/8)O3 samples is directly affected by the reaction conditions such as the soaking temperature, and the heating and cooling rates. The as-prepared Bi(Mg3/8Fe2/8Ti3/8)O3 particles are well-formed, cube-shaped single-crystals with sizes ranging from 200-300 nm. The chemical states of Bi and Fe ions are Bi(3+) and Fe(3+) in Bi(Mg3/8Fe2/8Ti3/8)O3. UV-vis diffuse reflectance spectra and preliminary photocatalytic experiments indicate that the pure Bi(3+) A site perovskite of Bi(Mg3/8Fe2/8Ti3/8)O3 has a suitable energy bandgap (1.86 eV) and shows obvious photocatalytic activity for the decolorization of methyl blue under visible-light irradiation. The present work suggests potential future applications of Bi(Mg3/8Fe2/8Ti3/8)O3 in photocatalysis and ferroelectric photovoltaic effects.

  8. Lead-free and lead-based ABO3 perovskite relaxors with mixed-valence A-site and B-site disorder: Comparative neutron scattering structural study of (Na1/2Bi1/2)TiO3 and Pb(Mg1/3Nb2/3)O3

    NASA Astrophysics Data System (ADS)

    Ge, Wenwei; Devreugd, Christopher P.; Phelan, D.; Zhang, Qinhui; Ahart, Muhtar; Li, Jiefang; Luo, Haosu; Boatner, Lynn A.; Viehland, Dwight; Gehring, Peter M.

    2013-11-01

    We report the results of neutron elastic-scattering measurements made between -250 °C and 620 °C on the lead-free relaxor (Na1/2Bi1/2)TiO3 (NBT). Strong, anisotropic, elastic diffuse scattering intensity decorates the (100), (110), (111), (200), (210), and (220) Bragg peaks at room temperature. The wave-vector dependence of this diffuse scattering is compared to that in the lead-based relaxor Pb(Mg1/3Nb2/3)O3 (PMN) to determine if any features might be common to relaxors. Prominent ridges in the elastic diffuse scattering intensity contours that extend along ⟨110⟩ are seen that exhibit the same zone dependence as those observed in PMN and other lead-based relaxors. These ridges disappear gradually on heating above the cubic-to-tetragonal phase transition temperature TCT = 523 °C, which is also near the temperature at which the dielectric permittivity begins to deviate from Curie-Weiss behavior. We thus identify the ⟨110⟩-oriented ridges as a relaxor-specific property. The diffuse scattering contours also display narrower ridges oriented along ⟨100⟩ that are consistent with the x-ray results of Kreisel [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.68.014113 68, 014113 (2003)]; these vanish near 320 °C, indicating that they have a different physical origin. The ⟨100⟩-oriented ridges are not observed in PMN. We observe no equivalent relaxor-specific elastic diffuse scattering from the homovalent relaxor analogues K0.95Li0.05TiO3 (A-site disordered) and KTa0.95Nb0.05O3 (B-site disordered). This suggests that the ⟨110⟩-oriented diffuse scattering ridges are correlated with the presence of strong random electric fields and invites a reassessment of what defines the relaxor phase. We find that doping NBT with 5.6% BaTiO3, a composition close to the morphotropic phase boundary with enhanced piezoelectric properties, increases the room-temperature correlation length along [11¯0] from 40 to 60 Å while doubling the associated integrated diffuse

  9. Static and dynamic optical properties of La1-xSrxFeO3-δ: The effects of A-site and oxygen stoichiometry

    DOE PAGES

    Sergey Y. Smolin; Sfeir, Matthew Y.; Scafetta, Mark D.; Choquette, Amber K.; Baxter, Jason B.; May, Steven J.

    2015-12-09

    Perovskite oxides are a promising material class for photovoltaic and photocatalytic applications due to their visible band gaps, nanosecond recombination lifetimes, and great chemical diversity. However, there is limited understanding of the link between composition and static and dynamic optical properties, despite the critical role these properties play in the design of light-harvesting devices. To clarify these relationships, we systemically studied the optoelectronic properties in La1-xSrxFeO3-δ epitaxial films, uncovering the effects of A-site cation substitution and oxygen stoichiometry. Variable-angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25 eV and amore » red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy, revealing similar nanosecond photoexcited carrier lifetimes for oxygen deficient and stoichiometric films with the same nominal Fe valence. Furthermore, these results demonstrate that while the static optical absorption is strongly dependent on nominal Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in the recombination kinetics.« less

  10. Tuning optical absorption and photoexcited recombination dynamics in La1-xSrxFeO3-δ through A-site substitution and oxygen vacancies

    NASA Astrophysics Data System (ADS)

    Smolin, Sergey; Scafetta, Mark; Choquette, Amber; Sfeir, Matthew; Baxter, Jason; May, Steven

    We study optical absorption and recombination dynamics in La1-xSrxFeO3-δ thin films, uncovering the effects of tuning nominal Fe valence via A-site substitution and oxygen stoichiometry. Variable angle spectroscopic ellipsometry was used to measure static optical properties, revealing a linear increase in absorption coefficient at 1.25 eV and a red-shifting of the optical absorption edge with increasing Sr fraction. The absorption spectra can be similarly tuned through the introduction of oxygen vacancies, indicating the critical role that nominal Fe valence plays in optical absorption. Dynamic optoelectronic properties were studied with ultrafast transient reflectance spectroscopy, revealing similar nanosecond photoexcited carrier lifetimes for oxygen deficient and stoichiometric films with the same nominal Fe valence. These results demonstrate that while the static optical absorption is strongly dependent on Fe valence tuned through cation or anion stoichiometry, oxygen vacancies do not appear to play a significantly detrimental role in the recombination kinetics. Nsf: ECCS-1201957, MRI DMR-0922929, MRI DMR-1040166. This research used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704.

  11. Oxygen trapping and cation site-splitting in Y(2-x)PrxO3+δ (0.0≤x<2.0 and δ≤1.0)

    NASA Astrophysics Data System (ADS)

    Lussier, Joey A.; Devitt, Graham; Szkop, Kevin M.; Bieringer, Mario

    2016-10-01

    The reduction and oxidation of the solid solution Y2-xPrxO3+δ (0.0≤x<2.0 and δ≤1.0) is investigated with emphasis on potential solid state electrolyte applications in solid oxide fuel cells. The fully reduced solid solution Y2-xPrxO3 (0.0≤x<2.0) crystallizes in the bixbyite structure (Ia 3 bar) . The oxidized solid solution Y2-xPrxO3+δ (0.0≤x<1.4) forms bixbyite phases (Ia 3 bar) whereas Y2-xPrxO3+δ (1.4≤x<2) compositions form fully disordered defect fluorite structures (Fm 3 bar m) with variable oxide defect concentrations. The two cation positions are investigated in detail using synchrotron powder X-ray and time of flight neutron diffraction data. In the bixbyite structures the 8c cation site splits into the 16c cation site and the 24d cation position migrates toward the ideal fluorite coordination upon oxidation. Reductive in-situ diffraction experiments reveal the co-existence of the fluorite and bixbyite structure only in a narrow temperature range. During oxidation of the bixbyite phase a new 16c oxide anion site is populated. The impact of the 16c oxide site population on the cation sublattice is being discussed.

  12. Impact of tropical convection and ENSO variability in vertical distributions of CO and O3 over an urban site of India

    NASA Astrophysics Data System (ADS)

    Sahu, L. K.; Sheel, Varun; Kajino, M.; Deushi, M.; Gunthe, Sachin S.; Sinha, P. R.; Yadav, Ravi; Pal, Devendra; Nedelec, P.; Thouret, Valérie; Smit, Herman G.

    2016-09-01

    This study is based on the analysis of the measurement of ozone and water vapor by airbus in-service aircraft (MOZAIC) data of vertical ozone (O3) and carbon monoxide (CO) over Hyderabad during November 2005-March 2009. Measurements in the upper troposphere show highest values of O3 (53-75 ppbv) and CO (80-110 ppbv) during the pre-monsoon and post-monsoon seasons, respectively. The episodes of strong wind shears (>20 ms-1) were frequent during the monsoon/post-monsoon months, while weak shear conditions (<10 ms-1) were prevalent during the winter season. The profiles of both O3 and CO measured under southerly winds showed lower values than under northerly winds in each season. The strong and weak wind shears over the study region were associated with the El Niño and La Niña conditions, respectively. The outgoing long-wave radiation (OLR) and wind shear data indicate enhancement in the convective activity from monsoon to post-monsoon period. Higher levels of O3 were measured under the strong shear conditions, while CO and H2O show enhancements under weak shear conditions. The near surface observation and simulations show increase of O3 with increasing OLR, while insignificant relation in the upper region. In case of CO, the MOZAIC and CCM2 show weaker dependence while MOZART-4 shows rapid increase with OLR indicating large overestimation of convective transport. A modified Tiedtke convective scheme provides better representation compared to the Hack/Zhang-McFarlane schemes for both O3 and CO during the monsoon season. The difference between observation and simulations were particularly large during transition from El Niño to La Niña phases. The different convection scheme and horizontal resolution in the MOZART-4 and CCM2 seem to be the major causes of disagreement between these models. Vertical profiles of both O3 and CO during extreme events such a tropical cyclones (TCs) show strong influence of the convective-dynamics over Bay of Bengal (BOB).

  13. The depletion and regeneration of dissolution-active sites at the mineral-water interface: II. regeneration of active sites on α-Fe 2O 3 at pH 3 and pH 6

    NASA Astrophysics Data System (ADS)

    Samson, Sherry D.; Eggleston, Carrick M.

    2000-11-01

    Periods of transient nonsteady state dissolution can contain much information about dissolution mechanisms. Here, pH-jump-induced dissolution transients are used to explore the kinetics of production, at pH 3 and pH 6, of α-Fe 2O 3 surface sites active for dissolution at pH 1. We find that such sites are generated in a matter of minutes or less at higher pH. The steady state dissolution rate of hematite at pH 1 is ≤10.7 pmol m -2 s -1, whereas the rate of active site production at pH 6 in the first 30 min. of aging is at least 119 pmol m -2 s -1. Apparently, active sites are produced relatively slowly at low pH and relatively rapidly at circumneutral pH, despite the fact that dissolution rates are near a minimum at circumneutral pH. Using aqueous water exchange rates as a proxy for surface ligand exchange rates, this is qualitatively consistent with relatively slow water exchange by aqueous Fe 3+ ions at low pH and relatively rapid water exchange by Fe 3+ hydrolysis products (e.g., Fe(OH) 2+) at circumneutral pH. Consequently, the highest overall dissolution rates are achieved not at steady state at low pH, but by cycling between neutral and low pH. Our results call into question the assumption that oxide mineral surfaces, particularly those of iron and aluminum oxides, are inert on the time scale of proton or ligand adsorption (e.g., during the acid-base titrations typically used to measure oxide surface charge due to proton adsorption).

  14. A-site-deficiency effect on critical behavior in the Pr0.6Sr0.4MnO3 compound.

    PubMed

    Elleuch, F; Bekri, M; Hussein, M; Triki, M; Dhahri, E; Hlil, E K; Bessais, L

    2015-10-28

    We present the effect of vacancy in Pr0.6Sr0.4MnO3via dc magnetisation measurements. Using various techniques such as modified Arrott plots, the Kouvel-Fisher method, and Widom scaling relationship the values of TC (ferromagnetic transition temperature), as well as the β, γ and δ (critical exponents) are estimated. Critical exponents for the stoichiometric sample and the strontium deficient sample match well with those predicted for the tricritical mean field model. The vacancy in Pr0.5□0.1Sr0.4MnO3 changes the universal class. The estimated critical exponents of the praseodymium deficient sample are close to those found out by the 3D-Ising model. PMID:26395805

  15. Effect of cation site-disorder on the structure and magneto-transport properties of Ln5/8M3/8MnO 3 manganites

    NASA Astrophysics Data System (ADS)

    Collado, J. A.; Frontera, C.; García-Muñoz, J. L.; Aranda, M. A. G.

    2005-06-01

    Five members of Ln5/8M3/8MnO 3 series with A-cation size variance ( σ2) ranging between 3×10 -4 and 71×10 -4 Å 2, and the same A-cation size =1.2025 Å, have been synthesized by the ceramic method. The five manganites are single phase and they crystallize in the Pnma perovskite superstructure. The five compositions display ferromagnetic-paramagnetic transitions at temperatures ranging between 130 and 270 K, for the highest and lowest variance sample, respectively. The samples with smaller variances show sharp magnetization transitions and the samples with the larger variances display broad transitions. These transitions have also been studied by differential scanning calorimetry, DSC, and some enthalpy changes are reported. The resistivity study indicates that all samples display the expected metal-to-insulator transitions at temperatures ranging between 140 and 270 K. The samples have been analysed at room temperature by ultra-high-resolution synchrotron powder diffraction and the structural and microstructural features are reported. Furthermore, Nd 5/8Sr 0.255Ca 0.12MnO 3 ( σ2=40×10-4 Å2) and Sm 0.225Nd 0.4Sr 0.308Ca 0.067MnO 3 ( σ2=53×10-4 Å2) samples have also been studied by synchrotron powder diffraction at 140 K, below the transition temperatures. Both samples are found to be single phase above and below the transition by ultra-high-resolution synchrotron powder diffraction. The microstructure of the samples has been investigated through Williamson-Hall plots. Sample broadenings are markedly anisotropic and strongly dominated by microstrains with average values of the Δ d/ d term close to 14×10 -4. A direct correlation is found between the microstrain values and the widths of the magnetization transitions.

  16. Does nitrogen saturation theory apply to unpolluted temperate forests? A test along a forest soil nitrogen gradient in Oregon

    NASA Astrophysics Data System (ADS)

    Perakis, S. S.; Sinkhorn, E. R.

    2011-12-01

    Natural gradients of soil nitrogen (N) can be used to evaluate the consequences of long-term ecosystem N enrichment, and to test the applicability of N saturation theory as a general framework for understanding ecosystem N dynamics. Temperate forest soils of the Oregon Coast Range experience low rates of atmospheric N deposition, yet display among the highest soil N accumulations ever reported worldwide. We measured plant and soil (0-1m) N stocks and natural abundance delta15N, plant production, N uptake and return in litterfall, soil gross and net N mineralization rates, and hydrologic N losses of nine Douglas-fir forests growing across an exceptionally wide soil N gradient in the Oregon Coast Range. Ecosystem N content ranged from 8,788 to 22,667 kg N/ha across sites, with highest N accumulations near the coast, and 96-98% of total ecosystem N residing in mineral soil. Ecosystem delta15N displayed a curvilinear relationship with ecosystem N content that reflected competing influences of N input from biological fixation at low-N sites and fractionating N losses at high-N sites. Simulation modeling of ecosystem N and delta15N mass balance suggest that cycles of wildfire can promote unusually high natural N accumulation by fostering early successional biological nitrogen fixation. Surface mineral soil (0 - 10 cm) N concentrations were tightly correlated to total soil N stocks to 1 m depth, and in contrast to predictions of N saturation theory, were linearly related to 10-fold variation in net N mineralization from 8 - 82 kg N/ha-yr. Net N mineralization was unrelated to soil C:N, soil texture, precipitation and temperature differences among sites. Net nitrification accounted for < 20% of net N mineralization at low N sites, increasing to 85 - 100% of net N mineralization at intermediate and high N sites, and was associated with soil pH decline from 5.8 to 4.1 across sites. The ratio of net:gross N mineralization and nitrification increased along the gradient

  17. A-site deficient La0.2Sr0.7TiO3-δ anode material for proton conducting ethane fuel cell to cogenerate ethylene and electricity

    NASA Astrophysics Data System (ADS)

    Liu, Subiao; Behnamian, Yashar; Chuang, Karl T.; Liu, Qingxia; Luo, Jing-Li

    2015-12-01

    A site deficient La0.2Sr0.7TiO3-δ (LSTA) and a highly proton conductive electrolyte BaCe0.7Zr0.1Y0.2O3-δ (BCZY) are synthesized by using solid state reaction method. The performance of the electrolyte-supported single cell, comprised of LSTA + Cr2O3 + Cu//BCZY//(La0.60Sr0.40)0.95Co0.20Fe0.80O3-δ (LSCF)+BCZY, is fabricated and investigated. LSTA shows remarkably high electrical performance, with a conductivity as high as 27.78 Scm-1 at 1150 °C in a 10% H2/N2 reducing atmosphere. As a main anode component, it shows good catalytic activity towards the oxidation of ethane, causing the power density to considerably increase from 158.4 mW cm-2 to 320.9 mW cm-2 and the ethane conversion to significantly rise from 12.6% to 30.9%, when the temperature increases from 650 °C to 750 °C. These changes agree well with the polarization resistance which dramatically decreases from 0.346 Ωcm2 to 0.112 Ωcm2. EDX measurement shows that no element diffusion exists (chemical compatibility) between anode (LSTA + Cr2O3+Cu) and electrolyte (BCZY). With these properties, the pure phase LSTA is evaluated as a high electro-catalytic activity anode material for ethane proton conducting solid oxide fuel cell (PC-SOFC).

  18. Effect of Nb doping at Mn site on thermal expansion of Pr0.7Sr0.3MnO3

    NASA Astrophysics Data System (ADS)

    Rao, Ashok; Poornesh, P.; Wu, K. K.; Kuo, Y. K.; Agarwal, S. K.

    2013-10-01

    In this study we present results on effect of Nb doping on thermal expansion of Pr0.7Sr0.3MnO3. Thermal expansion measurements were done using three terminal capacitance method. The pure sample shows a jump at the insulator-metal (I-M) transition temperature, and with Nb doping, a fourfold decrease in the jump is found. Since thermal expansion is a bulk property, this suggests that the dopants are not in the form of local clusters; rather they are distributed uniformly throughout the sample. Temperature variation of Gruniesen ratio α/CP shows that for temperatures below I-M transition, the ratio is weakly dependent on temperature. Pressure dependence on the transition temperature, dTP/dP and jump in compressibility, Δβ, of these samples has been estimated using well-known Ehrenfest equations. The present results are in fairly good agreement with those reported in the literature.

  19. Role of lightning phenomenon over surface O3 and NOx at a semi-arid tropical site Hyderabad, India: inter-comparison with satellite retrievals

    NASA Astrophysics Data System (ADS)

    Venkanna, R.; Nikhil, G. N.; Sinha, P. R.; Siva Rao, T.; Swamy, Y. V.

    2016-08-01

    The influence of lightning over surface-level trace gases was examined for pre-monsoon and monsoon seasons in the year 2012. Lightning events were measured using ground-based electric field monitor (EFM) and space-based lightning imaging sensor (LIS). The results showed that lightning frequency was higher during pre-monsoon period compared to monsoon, which is in good agreement with the satellite retrievals. The increase in concentration of NOx on lightning event led to a subsequent decrease in surface O3 due to the titration reaction. Source apportionment study of SO2/NOx (S/N) and CO/NOx (C/N) ratios and poor correlation of NOx vs CO and NOx vs SO2 on the lightning day confirmed the emission of NOx from dissimilar sources.

  20. Bulk modulus and specific heat of B-site doped (La0.3Pr0.7)0.65Ca0.35Mn1-xBxO3 (B=Fe, Cr, Ru, Al, Ga)

    NASA Astrophysics Data System (ADS)

    Srivastava, Archana; Thakur, Rasna; Gaur, N. K.

    2014-04-01

    Specific heat (Cp) thermal expansion (α) and Bulk modulus (BT) of lightly doped Rare Earth manganites (La0.3Pr0.7)0.65Ca0.35Mn1-xBxO3 (B3+ = Fe3+,Cr3+,Ga3+,Al3+,Ru4+); (0.3site cation by other transition / Group IIIA elements of different size, mass and valence introduces large size and charge mismatch at B-site affecting the bulk modulus and thermal properties. Lattice specific heat (Cp)lat of (La0.3Pr0.7)0.65Ca0.35Mn0.97Fe0.03O3 as a function of temperature (10K≤T≤ 200K) is found to be in agreement with the published data. The trend of variation of Debye temperature with B-site cationic radius is predicted probably for the first time for the B-site doped rare earth manganites.

  1. Structural, ferroelectric, optical properties of A-site-modified Bi0.5(Na0.78K0.22)0.5Ti0.97Zr0.03O3 lead-free piezoceramics

    NASA Astrophysics Data System (ADS)

    Quan, N. D.; Quyet, N. V.; Bac, L. H.; Thiet, D. V.; Hung, V. N.; Dung, D. D.

    2015-02-01

    We reported the role of A-site modification on the structural, ferroelectric, optical and electrical field-induced strain properties of Bi0.5(Na0.78K0.22)0.5Ti0.97Zr0.03O3 lead-free piezoceramics. The Li+ ions with concentration from 0 to 5 mol% were used to substitute at A-site. There was no phase transition when Li+ ions was added up to 5 mol%. The electric field-induced strain (Smax/Emax) values increased from 600 to 643 pm/V for 2 mol% Li+-added which results from distortion both rhombohedral and tetragonal phase structures. The band gap reduced from 2.88 to 2.68 eV and the saturation polarization decreased from 46.2 to 26.1 μC/cm2 when Li+ ions concentration increased from 0 to 5 mol% respectively. We expect that this work could be helpful for further understanding the role of A-site dopants in comparison with B-site modification in lead-free Bi0.5(Na,K)0.5TiO3-based ceramics.

  2. Direct observation of B-site ordering in LSAT: (La0.3Sr0.7)(Al0.65Ta0.35)O3 single crystal

    NASA Astrophysics Data System (ADS)

    Okada, S.; Kobayashi, S.; Ohashi, K.; Nishikawa, N.; Tokunaga, T.; Sasaki, K.; Yamamoto, T.

    2016-06-01

    B-site atomic column regularity was directly observed in (La0.3Sr0.7)(Al0.65Ta0.35)O3 single crystals by Z-contrast imaging during high-angle annular dark-field scanning transmission electron microscopy. Two types of areas with different B-site regularity were found. One of the ordered structures, which was similar to a previously reported structure, was several tens of nanometers in size and had a rock salt-like regularity owing to variation in the B-site Al/Ta ratio. The other structure existed as disordered-like domains in the (La0.3Sr0.7)(Al0.65Ta0.35)O3 crystal. Fourier transform processing revealed that the disordered-like domains consisted of very fine ordered domains of several nanometers in size. These very fine ordered structures had a different B-site Al/Ta ratio variation with a rock salt-like regularity.

  3. In2O3/Al2O3 Catalysts for NOx Reduction in Lean Condition

    SciTech Connect

    Park, Paul W.; Ragle, Christie; Boyer, Carrie S.; Balmer, M Lou; Engelhard, Mark H. ); McCready, David E. )

    2002-01-01

    The lean NOx performance and catalytic properties of In2O3/Al2O3 catalysts were investigated. High lean NOx activity was observed when propene was used as a reductant in the presence of 9% O2 and 7% H2O at a space velocity of 30,000h-1. The optimum lean NOx activity of In2O3/Al2O3 catalysts was observed at a loading of 2.5 wt.% indium on -Al2O3 which was prepared by a sol-gel technique (230 m2/g). When propane was used as a reductant, the In2O3/Al2O3 catalyst did not promote NOx reduction compared to the alumina substrate. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and temperature programmed reduction (TPR) have been used to characterize a series of In2O3/Al2O3 catalysts to better understand the surface structure of indium oxide species on the alumina support. The XRD data indicated that crystalline In2O3 was present at In2O3 loadings > 5wt.% and the quantity of the crystalline phase increased as a function of indium loading. XPS results suggested that indium oxide existed as a well-dispersed phase up to 10wt.% indium. The well dispersed or reducible indium oxide species below 400 C in TPR experiments were assigned as the sites which activate propene to oxygenated hydrocarbons such as acetaldehyde and acrolein. Alumina sites readily utilize the oxygenated hydrocarbons to reduce NOx. Dual-function mechanism was proposed to explain NOx reduction over In2O3/Al2O3 catalysts.

  4. Atmospheric inputs and nitrogen saturation status in and adjacent to Class I wilderness areas of the northeastern US.

    PubMed

    Templer, Pamela H; Weathers, Kathleen C; Lindsey, Amanda; Lenoir, Katherine; Scott, Lindsay

    2015-01-01

    Atmospheric inputs of N and S in bulk deposition (open collectors) and throughfall (beneath canopy collectors) were measured in and adjacent to two Class 1 wilderness areas of the northeastern US. In general, atmospheric S inputs followed our expectations with throughfall S fluxes increasing with elevation in the White Mountains, New Hampshire and throughfall S fluxes being greater in coniferous than deciduous stands in both sites. In contrast, throughfall N fluxes decreased significantly with elevation. Throughfall NO3 (-) fluxes were greater in coniferous than deciduous stands of Lye Brook, Vermont, but were greater in deciduous than coniferous stands of the White Mountains. We found overlap in the range of values for atmospheric N inputs between our measurements and monitoring data [National Atmospheric Deposition Program (NADP) and Clean Air Status and Trends Network (CASTNET)] for wet and total (wet + dry) deposition at Lye Brook. However, our measurements of total S deposition in the White Mountains and bulk (wet) deposition at both Lye Brook and the White Mountains were significantly lower than NADP plus CASTNET, and NADP data, respectively. Natural abundance (18)O in throughfall and bulk deposition were not significantly different, suggesting that there was no significant biological production of [Formula: see text] via nitrification in the canopy. NO3 (-) concentrations in streams were low and had natural abundance (18)O values consistent with microbial production, demonstrating that atmospheric N is being biologically transformed while moving through these watersheds and that these forested watersheds are unlikely to be N saturated.

  5. Catchment nitrogen saturation drives ecological change in an alpine lake in SW China (eastern margin of Tibet)

    NASA Astrophysics Data System (ADS)

    Anderson, N. J.; Hu, Z.; Yang, X.; Zhang, E.

    2011-12-01

    There is substantial evidence for recent (last ca. 120 years) ecological change in remote arctic and alpine lakes (increased productivity, altered biological structure). Initially, these changes were attributed to global warming which has altered the heat budgets of these lakes (stronger stratification, longer ice free periods). The emphasis on temperature, however, ignores that global environmental change is driven by a range of multiple stressors (e.g. altered biogeochemical cycles, land cover change). One of the characteristics of the observed change in remote lakes is the expansion of small species of the planktonic diatom genus Cyclotella. It is increasingly obvious that the recent success of this diatom genus is driven by other factors (nutrients, light, mixing depth) as much as temperature. SE Asia is a major hotspot for the emission of reactive nitrogen as a result of intensive agriculture and fossil fuel combustion. In this study we report recent ecological change in a small, oligotrophic alpine lake (ShadeCo; altitude 4423 m) located in Sichuan Province (SW China), one of many relatively unstudied alpine lakes on the eastern margin of Tibet. The lake is located above the tree-line and there is no cultural land-use; the catchment vegetation is dominated by alpine shrub (predominantly Rhododendron). We used a multi-proxy palaeolimnological approach (diatom, geochemical and stable isotope analyses of a 210-Pb dated core) coupled with regional long-term climate data to understand the pronounced 20th century changes in the diatom record, notably an expansion of Cyclotella spp from around 1920. This initial increase is coincident with warming in SW China but the maximum Cyclotella abundance occurs in in the 1970s and 1980s, a period of regional cooling and major changes in catchment-lake biogeochemistry as indicated by geochemical analyses. The possible drivers of the observed changes (nitrogen deposition, temperature) at this site are discussed in the context

  6. Postperovskite phase equilibria in the MgSiO3-Al2O3 system.

    PubMed

    Tsuchiya, Jun; Tsuchiya, Taku

    2008-12-01

    We investigate high-P,T phase equilibria of the MgSiO(3)-Al(2)O(3) system by means of the density functional ab initio computation methods with multiconfiguration sampling. Being different from earlier studies based on the static substitution properties with no consideration of Rh(2)O(3)(II) phase, present calculations demonstrate that (i) dissolving Al(2)O(3) tends to decrease the postperovskite transition pressure of MgSiO(3) but the effect is not significant ( approximately -0.2 GPa/mol% Al(2)O(3)); (ii) Al(2)O(3) produces the narrow perovskite+postperovskite coexisting P,T area (approximately 1 GPa) for the pyrolitic concentration (x(Al2O3) approximately 6 mol%), which is sufficiently responsible to the deep-mantle D'' seismic discontinuity; (iii) the transition would be smeared (approximately 4 GPa) for the basaltic Al-rich composition (x(Al2O3) approximately 20 mol%), which is still seismically visible unless iron has significant effects; and last (iv) the perovskite structure spontaneously changes to the Rh(2)O(3)(II) with increasing the Al concentration involving small displacements of the Mg-site cations.

  7. Site engineering in chemical solution deposited Na1/2Bi1/2TiO3 thin films using Mn acceptor

    NASA Astrophysics Data System (ADS)

    Feng, Chao; Yang, Changhong; Geng, Fangjuan; Lv, Panpan; Yao, Qian

    2016-02-01

    A series of Mn doped Na1/2Bi1/2TiO3 (NBT) thin films with dopant concentrations from 0 to 4 at% (NBTMn x , x = 0, 0.01, 0.02, 0.04) were fabricated on the indium tin oxide/glass substrates by chemical solution deposition. The effects of Mn doping content on crystalline, ferroelectric and dielectric properties were investigated. All thin films exhibit phase-pure polycrystalline perovskite structures. For the insulating measurement, at low electric field, space charge limited conduction or a grain boundary limited behavior is responsible for the leakage behavior of NBTMn x thin films, whereas at the high electric field, the dominant mechanism is changed to the interface-limited Fowler-Nordheim tunneling except NBTMn0.04. The leakage current density is reduced by more than three orders of magnitude in NBTMn0.02 compared with that of NBT thin film. Also, the enhanced ferroelectric properties of NBTMn0.02 thin film can be observed in polarization-electric filed hysteresis loop with P r of 38 μC cm-2, which is consistent with the result of the normalized capacitance-voltage curve. The dielectric constant and dissipation factor of NBTMn0.02 thin film are 501 and 0.04, respectively at 100 kHz. These electrical property improvements are attributed to the decrease of oxygen vacancy-induced leakage current.

  8. Dynamical mechanism of phase transitions in A-site ferroelectric relaxor (Na1/2Bi1/2)TiO3

    NASA Astrophysics Data System (ADS)

    Deng, Guochu; Danilkin, Sergey; Zhang, Haiwu; Imperia, Paolo; Li, Xiaobing; Zhao, Xiangyong; Luo, Haosu

    2014-10-01

    The dynamical phase transition mechanism of (Na1/2Bi1/2)TiO3 (NBT) was studied using inelastic neutron scattering. Softening was observed of multiple phonon modes in the phase transition sequence of NBT. As usual, the softening of the zone center transverse optical modes Δ5 and Σ3 was observed in the (200) and (220) zones, showing the Ti vibration instabilities in TiO6 octahedra for both cubic-tetragonal (C-T) and tetragonal-rhombohedral (T-R) phase transitions. In these two phase transitions, however, Ti4+ has different preferential displacement directions. Surprisingly, the longitudinal optic mode also softens significantly toward the zone center in the range of the transition temperature, indicating the Na+/Bi3+ vibration instability against TiO6 octahedra during the T-R phase transition. Strong inelastic diffuse scattering shows up near M(1.5, 0.5, 0) and R(1.5, 1.5, 0.5) in the tetragonal and rhombohedral phases, respectively, indicating the condensations of the M3 and R25 optic modes for the corresponding transitions. This reveals the different rotation instabilities of TiO6 in the corresponding transition temperature range. Bottleneck or waterfall features were observed in the dispersion curves at certain temperatures but did not show close correlations to the formation of polar nanoregions. Additional instabilities could be the origin of the complexity of phase transitions and crystallographic structures in NBT.

  9. Investigation of chemical compatibility between B-site doped La substituted SrTiO3 anode and stabilized zirconia electrolyte

    NASA Astrophysics Data System (ADS)

    Chen, Gang; Qian, Yu Min; Liu, Man; Ma, Wan Qing; Geng, Shu Jiang; Meng, Xiang Ying; Yu, Kai; Liu, Guo Qiang

    2016-10-01

    High temperature annealing test results indicate that B site dopant of LST and corresponding doping concentration have strong impact on the inter-diffusion behaviors at A-site deficient LST and ScSZ interface, which provides solid evidence for the improvement of the long term stability of LST anode. First principle calculation results indicate that B site doping of Al, Ga and Sc can enhance the neighboring Tisbnd O bonding which increases the VFE of Ti in LST that stabilizes the material and blocks the ion diffusion path at the same time. To minimize B site cation vacancy concentration, a threshold doping concentration exists at which the resulting VFE of Ti can overwhelm that of Sc which effectively suppresses the Sc/Ti ion exchange at the LST/ScSZ interface. But introduction of the B-site dopant may deteriorate the stability due to the lower VFE of dopant itself which becomes new source of instability at high doping concentration. Appropriate doping to balance the improvement and drawback of the dopant is the key for the overall stability of the material.

  10. Microwave property improvement of Ca[(Li1/3Nb2/3)0.95Zr0.15]O3+δ perovskite by A-site substitution

    NASA Astrophysics Data System (ADS)

    Hu, Mingzhe; Xiong, Gang; Ding, Zhao

    2016-04-01

    The crystal structure and microwave dielectric properties of Ca[(Li1/3Nb2/3)0.95Zr0.15]O3+δ ceramic (CLNZ) are tuned by A-site substitution of Sr2+ and Ba2+ ions in the present paper. The tuning effect on the crystal structure is investigated by the X-ray diffraction (XRD) pattern and it illustrates that single phase of orthorhombic perovskite structure is formed, however, minor amount of BaNb2O6-type second phase is also detected in (Ca1-xBax)[(Li1/3Nb2/3)0.95Zr0.15]O3+δ ceramics (CBLNZ) in the range of x ≥ 0.025, while pure perovskite phase is obtained in (Ca1-xSrx)[(Li1/3Nb2/3)0.95Zr0.15]O3+δ ceramics (CSLNZ) in the whole investigation range of 0 ≤ x ≤ 0.2. With the increase of x value, the unit cell volumes of both CBLNZ and CSLNZ perovskites gradually expand, which results in the degradation of the vibration bond strength between the B-site ions and oxygen in the perovskites. The microscopic structure related thermal parameters in CSLNZ and CBLNZ perovskites are analyzed in terms of Clausius-Mossotti equation to reveal the original contributors in the temperature coefficients. The results show that both Sr2+ and Ba2+ substitution can effectively improve the permittivity and Qf value, especially, improve the temperature coefficient of CLNZ ceramic in a certain range.

  11. Peptidyl-CCA deacylation on the ribosome promoted by induced fit and the O3′-hydroxyl group of A76 of the unacylated A-site tRNA

    SciTech Connect

    Simonović, Miljan; Steitz, Thomas A.

    2008-11-24

    The last step in ribosome-catalyzed protein synthesis is the hydrolytic release of the newly formed polypeptide from the P-site bound tRNA. Hydrolysis of the ester link of the peptidyl-tRNA is stimulated normally by the binding of release factors (RFs). However, an unacylated tRNA or just CCA binding to the ribosomal A site can also stimulate deacylation under some nonphysiological conditions. Although the sequence of events is well described by biochemical studies, the structural basis of the mechanism underlying this process is not well understood. Two new structures of the large ribosomal subunit of Haloarcula marismortui complexed with a peptidyl-tRNA analog in the P site and two oligonucleotide mimics of unacylated tRNA, CCA and CA, in the A site show that the binding of either CA or CCA induces a very similar conformational change in the peptidyl-transferase center as induced by aminoacyl-CCA. However, only CCA positions a water molecule appropriately to attack the carbonyl carbon of the peptidyl-tRNA and stabilizes the proper orientation of the ester link for hydrolysis. We, thus, conclude that both the ability of the O3'-hydroxyl group of the A-site A76 to position the water and the A-site CCA induced conformational change of the PTC are critical for the catalysis of the deacylation of the peptidyl-tRNA by CCA, and perhaps, an analogous mechanism is used by RFs.

  12. Trends in aluminium export from a mountainous area to surface waters, from deglaciation to the recent: effects of vegetation and soil development, atmospheric acidification, and nitrogen-saturation.

    PubMed

    Kopácek, Jirí; Hejzlar, Josef; Kana, Jirí; Norton, Stephen A; Porcal, Petr; Turek, Jan

    2009-11-01

    We reconstructed the history of terrestrial export of aluminium (Al) to Plesné Lake (Czech Republic) since the lake origin approximately 12,600 year BC, and predicted Al export for 2010-2050 on the basis of previously published and new data on mass budget studies, palaeolimnological data, and MAGIC modelling. We focused on three major Al forms; ionic Al (Al(i)), organically-bound Al (Al(o)), and particulate Al hydroxide [Al(OH)(3)]. In early post-glacial time, Plesné Lake received high terrestrial export of Al, but with a minor proportion of Al(OH)(3) (4-25 microM), and concentrations of Al(i) and Al(o) were negligible. Since the forest and soil development ( approximately 9900-9000 year BC), erosion has declined and soil organic acids increased export of Al(o) from soils. The terrestrial Al(o) leaching ( approximately 7.5 microM) persisted throughout the Holocene until the industrial period. Then, Al(i) concentrations continuously increased (up to 28 microM in the mid-1980s) due to atmospheric acidification; the Al(i) leaching was mostly associated with sulphate. The proportion of Al(i) associated with nitrate has been increasing since the beginning of lake recovery from acidification after approximately 1990 due to reduction in sulphur deposition and nitrogen-saturation of the catchment, leading to persistent nitrate leaching. Currently, nitrate has become the dominant strong acid anion and the major Al(i) carrier. Al(o) (5.5 microM) is predicted to dominate Al concentrations around 2050, but the predicted Al(i) concentrations ( approximately 4 microM) are uncertain because of uncertainty associated with the future nitrate leaching and its effect on soils. PMID:19793616

  13. Trends in aluminium export from a mountainous area to surface waters, from deglaciation to the recent: effects of vegetation and soil development, atmospheric acidification, and nitrogen-saturation.

    PubMed

    Kopácek, Jirí; Hejzlar, Josef; Kana, Jirí; Norton, Stephen A; Porcal, Petr; Turek, Jan

    2009-11-01

    We reconstructed the history of terrestrial export of aluminium (Al) to Plesné Lake (Czech Republic) since the lake origin approximately 12,600 year BC, and predicted Al export for 2010-2050 on the basis of previously published and new data on mass budget studies, palaeolimnological data, and MAGIC modelling. We focused on three major Al forms; ionic Al (Al(i)), organically-bound Al (Al(o)), and particulate Al hydroxide [Al(OH)(3)]. In early post-glacial time, Plesné Lake received high terrestrial export of Al, but with a minor proportion of Al(OH)(3) (4-25 microM), and concentrations of Al(i) and Al(o) were negligible. Since the forest and soil development ( approximately 9900-9000 year BC), erosion has declined and soil organic acids increased export of Al(o) from soils. The terrestrial Al(o) leaching ( approximately 7.5 microM) persisted throughout the Holocene until the industrial period. Then, Al(i) concentrations continuously increased (up to 28 microM in the mid-1980s) due to atmospheric acidification; the Al(i) leaching was mostly associated with sulphate. The proportion of Al(i) associated with nitrate has been increasing since the beginning of lake recovery from acidification after approximately 1990 due to reduction in sulphur deposition and nitrogen-saturation of the catchment, leading to persistent nitrate leaching. Currently, nitrate has become the dominant strong acid anion and the major Al(i) carrier. Al(o) (5.5 microM) is predicted to dominate Al concentrations around 2050, but the predicted Al(i) concentrations ( approximately 4 microM) are uncertain because of uncertainty associated with the future nitrate leaching and its effect on soils.

  14. Remarkable Strontium B-Site Occupancy in FerroelectricPb(Zr1-xTix)O3 Solid Solutions Doped with Cryolite-Type StrontiumNiobate

    SciTech Connect

    Feltz, A.; Schmidt-Winkel, P.; Schossman, M.; Booth, C.H.; Albering, J.

    2007-04-26

    New high-performance ferroelectric materials based on Pb(Zr{sub 1-x}Ti{sub x})O{sub 3} (PZT) that are doped with cryolite-type strontium niobate (SNO, Sr{sub 4}(Sr{sub 2-2y/3}Nb{sub 2+2y/3})O{sub 11+y}V{sub 0,1-y} with 0 {le} y {le} 1), hence denoted PZT:SNO, and their microscopic structure are described. The combination of exceptional piezoelectric properties, i.e. a piezoelectric strain constant of d{sub 33} {approx} 760 pm/V, with excellent stability and degradation resistance makes ferroelectric PZT:SNO solid solutions very attractive for use in novel and innovative piezoelectric actuator and transducer applications. Extended X-ray absorption fine-structure (EXAFS) analyses of PZT:SNO samples revealed that {approx}10 % of the Sr cations occupy the nominal B-sites of the perovskite-type PZT host lattice. This result was supported by EXAFS analyses of both a canonical SrTiO{sub 3} perovskite and two SNO model and reference compounds. Fit models that do not account for Sr cations on B-sites were ruled out. A clear Sr-Pb peak in Fourier transformed EXAFS data visually confirmed this structural model. The generation of temporary oxygen vacancies and the intricate defect chemistry induced by SNO-doping of PZT are crucial for the exceptional materials properties exhibited by PZT:SNO materials.

  15. Effects of site substitutions and concentration on the structural, optical and visible photoluminescence properties of Er doped BaTiO3 thin films prepared by RF magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Maneeshya, L. V.; Thomas, P. V.; Joy, K.

    2015-08-01

    The structural, optical and visible photoluminescence of the Erbium (Er) doped BaTiO3 (BT:Er) thin films were studied in terms of Er3+ substitutions for Ba and Ti sites with different Er3+ doping concentrations (0, 1, 3 and 5 wt%). X-ray diffraction pattern of BT:Er films with different Er3+ concentration showed tetragonal phase with preferred orientation along (1 0 1) plane. The lattice constant of BT:Er film of 1 wt% Er3+ shrank and then expanded for higher concentration. This indicates that Er3+ ions are completely incorporated into the host lattice by substituting for Ba2+ sites for 1 wt% Er3+ and then Ti4+ sites for higher Er3+ concentration in the BaTiO3 host. The crystallite size decreased for 1 wt% and then increased for higher Er (3 and 5 wt%) concentrations. The Scanning electron microscopy images revealed well patterned arrangement of larger spherical grains with neck formation. X-ray photoelectron spectroscopy analysis confirmed the presence of barium, titanium, erbium and oxygen in BT:Er films. An average transmittance >80% in visible region were observed for all the films. Optical band gap energy of BT:Er films were found to vary with increase in Er3+ concentration. The high refractive index >2 of these films can be used in optical application and anti-reflection coatings. Photoluminescence spectra of the films exhibited an increase in the emission intensity up to 3 wt% of Er3+ and then a decrease, due to self quenching. The improved optical properties of BT:Er films makes suitable for optical applications.

  16. Co-ordinatively Unsaturated Al3+ Centers as Binding Sites for Active Catalyst Phases of Platinum on -Al2O3

    SciTech Connect

    Kwak, Ja Hun; Hu, Jiangzhi; Mei, Donghei; Yi, Cheol-Woo; Kim, Do Heui; Peden, Charles; Allard Jr, Lawrence Frederick; Szanyi, Janos

    2009-01-01

    In many heterogeneous catalysts, the interaction of metal particles with their oxide support can alter the electronic properties of the metal and can play a critical role in determining particle morphology and maintaining dispersion. We used a combination of ultrahigh magnetic field, solid-state magic-angle spinning nuclear magnetic resonance spectroscopy, and high-angle annular dark-field scanning transmission electron microscopy coupled with density functional theory calculations to reveal the nature of anchoring sites of a catalytically active phase of platinum on the surface of a {gamma}-Al{sub 2}O{sub 3} catalyst support material. The results obtained show that coordinatively unsaturated pentacoordinate Al{sup 3+} (Al{sub penta}{sup 3+}) centers present on the (100) facets of the {gamma}-Al{sub 2}O{sub 3} surface are anchoring Pt. At low loadings, the active catalytic phase is atomically dispersed on the support surface (Pt/Al{sub penta}{sup 3+} = 1), whereas two-dimensional Pt rafts form at higher coverages.

  17. The A-site driven phase transition procedure of (Pb0.97La0.02)(Zr0.42Sn0.40Ti0.18)O3 ceramics: An evidence from electronic structure variation

    NASA Astrophysics Data System (ADS)

    Chen, X.; Jiang, P. P.; Duan, Z. H.; Hu, Z. G.; Chen, X. F.; Wang, G. S.; Dong, X. L.; Chu, J. H.

    2013-11-01

    The transition of (Pb0.97La0.02)(Zr0.42Sn0.40Ti0.18)O3 (PLZST) ceramic has been investigated by temperature-dependent X-ray diffraction (XRD) and spectroscopic ellipsometry (SE). The rhombohedral and tetragonal symmetries are confirmed by XRD analysis. Two interband transitions (Ecp1 and Ecp2) located at about 3.7 and 5.2 eV can be derived from the second derivative of the complex dielectric functions using the standard critical point (SCP) model. Except for the negative temperature coefficient parts, the transitions present additional parts corresponding to appearance of the antiferroelectric (AFE) phase. The phenomena can be attributed to variation of the electronic structure during A-site driven phase transition.

  18. A-site- and/or B-site-modified PbZrTiO3 materials and (Pb, Sr, Ca, Ba, Mg) (Zr, Ti, Nb, Ta)O3 films having utility in ferroelectric random access memories and high performance thin film microactuators

    NASA Technical Reports Server (NTRS)

    Roeder, Jeffrey F. (Inventor); Chen, Ing-Shin (Inventor); Bilodeau, Steven (Inventor); Baum, Thomas H. (Inventor)

    2001-01-01

    A modified PbZrTiO.sub.3 perovskite crystal material thin film, wherein the PbZrTiO.sub.3 perovskite crystal material includes crystal lattice A-sites and B-sites at least one of which is modified by the presence of a substituent selected from the group consisting of (i) A-site substituents consisting of Sr, Ca, Ba and Mg, and (ii) B-site substituents selected from the group consisting of Nb and Ta. The perovskite crystal thin film material may be formed by liquid delivery MOCVD from metalorganic precursors of the metal components of the thin film, to form PZT and PSZT, and other piezoelectric and ferroelectric thin film materials. The thin films of the invention have utility in non-volatile ferroelectric memory devices (NV-FeRAMs), and in microelectromechanical systems (MEMS) as sensor and/or actuator elements, e.g., high speed digital system actuators requiring low input power levels.

  19. A-SITE-AND/OR B-SITE-MODIFIED PBZRTIO3 MATERIALS AND (PB, SR, CA, BA, MG) (ZR, TI,NB, TA)O3 FILMS HAVING UTILITY IN FERROELECTRIC RANDOM ACCESS MEMORIES AND HIGH PERFORMANCE THIN FILM MICROACTUATORS

    NASA Technical Reports Server (NTRS)

    Roeder, Jeffrey F. (Inventor); Chen, Ing-Shin (Inventor); Bilodeau, Steven (Inventor); Baum, Thomas H. (Inventor)

    2004-01-01

    A modified PbZrTiO.sub.3 perovskite crystal material thin film, wherein the PbZrTiO.sub.3 perovskite crystal material includes crystal lattice A-sites and B-sites at least one of which is modified by the presence of a substituent selected from the group consisting of (i) A-site substituents consisting of Sr, Ca, Ba and Mg, and (ii) B-site substituents selected from the group consisting of Nb and Ta. The perovskite crystal thin film material may be formed by liquid delivery MOCVD from metalorganic precursors of the metal components of the thin film, to form PZT and PSZT, and other piezoelectric and ferroelectric thin film materials. The thin films of the invention have utility in non-volatile ferroelectric memory devices (NV-FeRAMs), and in microelectromechanical systems (MEMS) as sensor and/or actuator elements, e.g., high speed digital system actuators requiring low input power levels.

  20. Reactivity of Hydrogen and Methanol on (001) Surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3

    SciTech Connect

    Ling, Sanliang; Mei, Donghai; Gutowski, Maciej S.

    2011-05-16

    Bulk tungsten trioxide (WO3) and rhenium trioxide (ReO3) share very similar structures but display different electronic properties. WO3 is a wide bandgap semiconductor while ReO3 is an electronic conductor. With the advanced molecular beam epitaxy techniques, it is possible to make heterostructures comprised of layers of WO3 and ReO3. These heterostructures might display reactivity different than pure WO3 and ReO3. The interactions of two probe molecules (hydrogen and methanol) with the (001) surfaces of WO3, ReO3, and two heterostructures ReO3/WO3 and WO3/ReO3 were investigated at the density functional theory level. Atomic hydrogen prefers to adsorb at the terminal O1C sites forming a surface hydroxyl on four surfaces. Dissociative adsorption of a hydrogen molecule at the O1C site leads to formation of a water molecule adsorbed at the surface M5C site. This is thermodynamically the most stable state. A thermodynamically less stable dissociative state involves two surface hydroxyl groups O1CH and O2CH. The interaction of molecular hydrogen and methanol with pure ReO3 is stronger than with pure WO3 and the strength of the interaction substantially changes on the WO3/ReO3 and ReO3/WO3 heterostructures. The reaction barriers for decomposition and recombination reactions are sensitive to the nature of heterostructure. The calculated adsorption energy of methanol on WO3(001) of -65.6 kJ/mol is consistent with the previous experimental estimation of -67 kJ/mol. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.

  1. Ab initio study of Z2 topological phases in perovskite (111) (SrTiO3)7/(SrIrO3)2 and (KTaO3)7/(KPtO3)2 multilayers

    NASA Astrophysics Data System (ADS)

    Lado, J. L.; Pardo, V.; Baldomir, D.

    2013-10-01

    Honeycomb structures formed by the growth of perovskite 5d transition metal oxide heterostructures along the (111) direction in a t2g5 configuration can give rise to topological ground states characterized by a topological index ν=1, as reported by Xiao [Nat. Commun.2041-172310.1038/ncomms1602 2, 596 (2011)]. Using a combination of a tight binding model and ab initio calculations we study the multilayers (SrTiO3)7/(SrIrO3)2 and (KTaO3)7/(KPtO3)2 as a function of parity asymmetry, on-site interaction U, and uniaxial strain and determine the nature and evolution of the gap. According to our density functional theory calculations, (SrTiO3)7/(SrIrO3)2 is found to be a topological semimetal whereas (KTaO3)7/(KPtO3)2 is found to present a topological insulating phase that can be understood as the high U limit of the previous one, that can be driven to a trivial insulating phase by a perpendicular external electric field.

  2. Interaction of Nd dopants with broadband emission centers in Bi2O3-B2O3 glass: local energy balance and its influence on optical properties

    NASA Astrophysics Data System (ADS)

    Ishii, Masashi; Fuchi, Shingo; Takeda, Yoshikazu

    2015-10-01

    Chemical and energetic interactions between broadband infrared intrinsic emission centers (IECs) of bismuthates and extrinsic emission centers (EECs) of Nd2O3 dopants were optically and electronically investigated. Although no visible absorption from the IEC was found in untreated Bi2O3-B2O3 glass, it was clearly observed after a moderate thermal treatment of  <200 °C, indicating chemical activity of O-deficient sites as the origin of IECs. On the other hand, Nd2O3 doping chemically stabilized the Bi2O3-B2O3 glass and suppressed IEC formation. By using a microwave measurement sensitive to electric dipoles, we found a ‘switching’ in local energy balance resulting from the Nd2O3 doping. This was explained by metallization of the O-deficient sites in the Bi2O3-B2O3 glass and multi-phonon excitation of IEC and EEC complexes in the Nd2O3-Bi2O3-B2O3 glass phosphor. Although the electric dipole observed by the microwave measurement was not necessarily caused by IEC, emission properties of the IEC and EEC complexes were consistent with energy balance switching; emissions from IECs after thermal treatment were quenched by EECs with multi-phonon excitation.

  3. Interaction of Nd dopants with broadband emission centers in Bi2O3-B2O3 glass: local energy balance and its influence on optical properties.

    PubMed

    Ishii, Masashi; Fuchi, Shingo; Takeda, Yoshikazu

    2015-10-01

    Chemical and energetic interactions between broadband infrared intrinsic emission centers (IECs) of bismuthates and extrinsic emission centers (EECs) of Nd2O3 dopants were optically and electronically investigated. Although no visible absorption from the IEC was found in untreated Bi2O3-B2O3 glass, it was clearly observed after a moderate thermal treatment of  <200 °C, indicating chemical activity of O-deficient sites as the origin of IECs. On the other hand, Nd2O3 doping chemically stabilized the Bi2O3-B2O3 glass and suppressed IEC formation. By using a microwave measurement sensitive to electric dipoles, we found a 'switching' in local energy balance resulting from the Nd2O3 doping. This was explained by metallization of the O-deficient sites in the Bi2O3-B2O3 glass and multi-phonon excitation of IEC and EEC complexes in the Nd2O3-Bi2O3-B2O3 glass phosphor. Although the electric dipole observed by the microwave measurement was not necessarily caused by IEC, emission properties of the IEC and EEC complexes were consistent with energy balance switching; emissions from IECs after thermal treatment were quenched by EECs with multi-phonon excitation.

  4. Origin of interface magnetism in BiMnO3/SrTiO3 and LaAlO3/SrTiO3 heterostructures.

    PubMed

    Salluzzo, M; Gariglio, S; Stornaiuolo, D; Sessi, V; Rusponi, S; Piamonteze, C; De Luca, G M; Minola, M; Marré, D; Gadaleta, A; Brune, H; Nolting, F; Brookes, N B; Ghiringhelli, G

    2013-08-23

    Possible ferromagnetism induced in otherwise nonmagnetic materials has been motivating intense research in complex oxide heterostructures. Here we show that a confined magnetism is realized at the interface between SrTiO3 and two insulating polar oxides, BiMnO3 and LaAlO3. By using polarization dependent x-ray absorption spectroscopy, we find that in both cases the magnetism can be stabilized by a negative exchange interaction between the electrons transferred to the interface and local magnetic moments. These local magnetic moments are associated with magnetic Ti3+ ions at the interface itself for LaAlO3/SrTiO3 and to Mn3+ ions in the overlayer for BiMnO3/SrTiO3. In LaAlO3/SrTiO3 the induced magnetism is quenched by annealing in oxygen, suggesting a decisive role of oxygen vacancies in this phenomenon.

  5. Local structure analysis of NaNbO3 and AgNbO3 modified by Li substitution

    NASA Astrophysics Data System (ADS)

    Yoneda, Yasuhiro; Aoyagi, Rintaro; Fu, Desheng

    2016-10-01

    We analyzed the local structures of NaNbO3 and AgNbO3 by combining the X-ray absorption fine structure (XAFS) and atomic pair-distribution function (PDF) techniques. NaNbO3 is known to be an antiferroelectric material at room temperature. It also undergoes a diffuse phase transition, in which orthorhombic and rhombohedral phases coexist over a wide temperature range. We found a disordered feature in the nearest-neighbor bond distance corresponding to the Nb-O bonds. The disordered bond distribution disappeared when Li was substituted for Na. A similar disorder feature was found in AgNbO3. The disordered site can be specified by combining XAFS and PDF techniques. The sequences of disordered and complex phase transitions are attributable to the competition between the tolerance of the AO12 cage and the tilt of NbO6 octahedra.

  6. Structural properties of Ge on SrTiO3 (001) surface and Ge/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Pu, Long; Wang, Jianli; Tang, Gang; Zhang, Junting

    2015-03-01

    Germanium-perovskite oxide heterostructures have a strong potential for next-generation low-voltage and low-leakage metal-oxide semiconductor field-effect transistors. We investigated the atomic structure and electronic properties of Ge on perfect and defective (001) SrTiO3 by first-principle calculations. The specific adsorption sites at the initial growth stage and the atomic structure of Ge on the SrTiO3 (001) substrate have been systematically investigated. The surface grand potential was calculated and compared as a function of the relative chemical potential. The complete surface phase diagram was presented. The energetically favorable interfaces were pointed out among the atomic arrangements of the Ge/SrTiO3 (001) interfaces. The atomic structure and electronic properties of the intrinsic point defects were calculated and analyzed for the Ge/SrTiO3 (001) interfaces.

  7. CH3-ReO3 on gamma-Al2O3: understanding its structure, initiation,and reactivity in olefin metathesis

    SciTech Connect

    Salameh, Alain; Joubert, Jerome; Baudouin, Anne; Lukens, Wayne; Delbecq, Francoise; Sautet, Philippe; Basset, Jean Marie; Coperet,Christophe

    2007-01-20

    Me-ReO3 on gamma-alumina: understanding the structure, theinitiation and thereactivity of a highly active olefin metathesiscatalyst Heterolytic splitting of the C-H bond of the methyl group ofCH3ReO3 on AlsO reactive sites of alumina as a way to generate the activesite of CH3ReO3 supported on gamma-Al203.

  8. Influence of fires on O3 concentrations in the western U.S.

    PubMed

    Jaffe, Dan; Chand, Duli; Hafner, Will; Westerling, Anthony; Spracklen, Dominick

    2008-08-15

    Because forest fires emit substantial NOx and hydrocarbons--known contributors to O3 production--we hypothesize that interannual variation in western U.S. O3 is related to the burned area. To evaluate this hypothesis we used a gridded database of western U.S. summer burned area (BA) and biomass consumed (BC) by fires between 101-125 degrees W. The fire data were compared with daytime summer O3 mixing ratios from nine rural Clean Air Status and Trends Network (CASTNET) and National Park Service (NPS) sites. Large fire years exhibited widespread enhanced O3. The summer BA was significantly correlated with O3 at all sites. For each 1 million acres burned in the western U.S. during summer, we estimate that the daytime mean O3 was enhanced across the region by 2.0 ppbv. For mean and maximum fire years, O3 was enhanced by an average of 3.5 and 8.8 ppbv, respectively. At most sites O3 was significantly correlated with fires in the surrounding 5 x 5 degrees and 10 x 10 degrees regions, but not with fires in the nearest 1 x 1 degree region, reflecting the balance between O3 production and destruction in a high NOx environment. BC was a slightly better predictor of O3, compared with BA. The relationship between O3 and temperature was examined at two sites (Yellowstone and Rocky Mountain National Parks). At these two sites, high fire years were significantly warmer than lowfire years; however, daytime seasonal meantemperature and O3 were not significantly correlated. This indicates that the presence of fire is a more important predictor for O3 than is temperature.

  9. Nitrogen Saturation in Highly Retentive Watersheds?

    NASA Astrophysics Data System (ADS)

    Daley, M. L.; McDowell, W. H.

    2009-12-01

    Watershed managers are often concerned with minimizing the amount of N delivered to N-limited estuaries and coastal zones. A major concern is that watersheds might reach N saturation, in which N delivered to coastal zones increases due to declines in the efficiency of N retention despite constant or even reduced N inputs. We have quantified long-term changes in N inputs (atmospheric deposition, imported food and agricultural fertilizers), outputs (N concentration and export) and retention in the urbanizing Lamprey River watershed in coastal NH. Overall, the Lamprey watershed is 70% forested, receives about 13.5 kg N/ha/yr and has a high rate of annual N retention (85%). Atmospheric deposition (8.7 kg/ha/yr) is the largest N input to the watershed. Of the 2.2 kg N/ha/yr exported in the Lamprey River, dissolved organic N (DON) is the dominant form (50% of total) and it varies spatially throughout the watershed with wetland cover. Nitrate accounts for 30% of the N exported, shows a statistically significant increase from 1999 to 2009, and its spatial variability in both concentration and export is related to human population density. In sub-basins throughout the Lamprey, inorganic N retention is high (85-99%), but the efficiency of N retention declines sharply with increased human population density and associated anthropogenic N inputs. N assimilation in the vegetation, denitrification to the atmosphere and storage in the groundwater pool could all be important contributors to the current high rates of N retention. The temporal and spatial patterns that we have observed in nitrate concentration and export are driven by increases in N inputs and impervious surfaces over time, but the declining efficiency of N retention suggests that the watershed may also be reaching N saturation. The downstream receiving estuary, Great Bay, already suffers from low dissolved oxygen levels and eelgrass loss in part due to N loading from the Lamprey watershed. Targeting and reducing anthropogenic sources of N that are not retained in the watershed and maintaining high rates of N retention will be of utmost concern for coastal managers.

  10. Effect of A-site ionic size variation on TCR and electrical transport properties of (Nd0.7-xLax)0.7Sr0.3MnO3 with x = 0, 0.1 and 0.2

    NASA Astrophysics Data System (ADS)

    Vadnala, Sudarshan; Asthana, Saket; Pal, Prem; Srinath, S.

    2015-02-01

    In this work, the structural and transport properties of (Nd0.7-xLax)0.7Sr0.3MnO3 manganites with x = 0, 0.1 and 0.2 prepared by solid state reaction route are studied. These compounds are found to be crystallized in orthorhombic structural form. Experimental results showing a shift in the metal to semiconductor/insulator transition temperature (TMI) towards room temperature (289 K) with the substitution of Nd by La, as the value of x is varied in the sequence (0,0.1,0.2), have been provided. The shift in the TMI, from 239 K (for x=0) to near the room temperature 289 K (for x=0.2), is attributed to the fact that the average radius of site-A increases with the percentage of La. The maximum temperature coefficients of resistance (TCR) of (Nd0.7-xLax)0.7Sr0.3MnO3 (x= 0.1 and 0.2) are found to be higher compared to its parent compound Nd0.7Sr0.3MnO3. The electrical transport mechanisms for (Nd0.7-xLax)0.7Sr0.3MnO3 (x= 0 to 0.2) are explored by using different theoretical models, for temperatures below and above TMI. An appropriate enlightenment for the observed behavior is discussed in detail.

  11. Observation of ferromagnetism in Mn doped KNbO3

    NASA Astrophysics Data System (ADS)

    Manikandan, M.; Venkateswaran, C.

    2015-06-01

    Pure and Mn doped KNbO3 have been prepared by ball milling assisted ceramic method. Mn ion had been doped at Nb site to induce ferromagnetism at room temperature. X-ray diffraction (XRD) patterns reveal the formation of orthorhombic phase. High resolution scanning electron micrograph (HR-SEM) of both pure and Mn doped samples show a mixture of spherical and plate like particles. Room temperature magnetic behavior of both the samples were analyzed using vibrating sample magnetometer (VSM). 5% Mn doped KNbO3 exhibits ferromagnetic behavior. Observed ferromagnetic feature has been explained by interactions between bound magnetic polarons which are created by Mn4+ ions.

  12. Direction-dependent RBS channelling studies in ion implanted LiNbO3

    NASA Astrophysics Data System (ADS)

    Wendler, E.; Becker, G.; Rensberg, J.; Schmidt, E.; Wolf, S.; Wesch, W.

    2016-07-01

    Damage formation in ion implanted LiNbO3 was studied by Rutherford backscattering spectrometry (RBS) along various directions of the LiNbO3 crystal. From the results obtained it can be unambiguously concluded that Nb atoms being displaced during ion implantation preferably occupy the free octahedron sites of the LiNbO3 lattice structure and most likely also form NbLi antisite defects.

  13. Effects of Dopant on Depoling Temperature in Modified BiScO3 - PbTiO3

    NASA Technical Reports Server (NTRS)

    Kowalski, Benjamin; Sehirlioglu, Alp

    2014-01-01

    In recent years there has been a renewed interest for high temperature piezoelectrics for both terrestrial and aerospace applications. These applications are limited in part by the operating temperature, which is usually taken as one half of the Curie temperature (Tc), and is 200C for one of the most widely used commercial piezoelectrics, Pb(Zr,Ti)O3 (PZT). In an effort to increase Tc, subsequent research into high temperature Bi(BB)O3 PbTiO3 piezoelectrics led to the discovery of the morphotropic phase boundary (MPB) in the high-Tc BiScO3 PbTiO3 (BS-PT) system with a Tc of 460C and a d33 of 460 pmV. The Tc marks the ferroelectric to paraelectric phase transformation and while, in general, a phase transformation leads to thermal depoling in piezoelectrics with low or moderate Tcs, for high Tc piezoelectrics thermally assisted dipole rotation can lead to randomization of domains at temperatures below Tc. It becomes necessary to determine the depoling temperature (Td) which dictates the actual working temperature range. By doping for Sc and Ti the Td can be shifted while maintaining similar electromechanical properties as a function of temperature. The effect of this B-site doping on depoling temperature has been explored through the characterization of microstructure and weakhigh field measurements.

  14. Excellent ethanol sensing properties based on Er2O3-Fe2O3 nanotubes

    NASA Astrophysics Data System (ADS)

    Liu, Chang-Bai; He, Ying; Wang, Sheng-Lei

    2015-11-01

    In this work, pure α-Fe2O3 and Er2O3-Fe2O3 nanotubes were synthesized by a simple single-capillary electrospinning technology followed by calcination treatment. The morphologies and crystal structures of the as-prepared samples were characterized by scanning electron microscopy and x-ray diffraction, respectively. The gas-sensing properties of the as-prepared samples have been researched, and the result shows that the Er2O3-Fe2O3 nanotubes exhibit much better sensitivity to ethanol. The response value of Er2O3-Fe2O3 nanotubes to 10 ppm ethanol is 21 at the operating temperature 240°, which is 14 times larger than that of pure α-Fe2O3 nanotubes (response value is 1.5). The ethanol sensing properties of α-Fe2O3 nanotubes are remarkably enhanced by doping Er, and the lowest detection limit of Er2O3-Fe2O3 nanotubes is 300 ppb, to which the response value is about 2. The response and recovery times are about 4 s and 70 s to 10 ppm ethanol, respectively. In addition, the Er2O3-Fe2O3 nanotubes possess good selectivity and long-term stability. Project supported by Jilin Provincial Science and Technology Department, China (Grant No. 20140204027GX) and the Challenge Cup for College Students, China (Grant No. 450060497053).

  15. Stabilisation of Fe2O3-rich Perovskite Nanophase in Epitaxial Rare-earth Doped BiFeO3 Films

    PubMed Central

    Zhang, Huairuo; Reaney, Ian M.; Marincel, Daniel M.; Trolier-McKinstry, Susan; Ramasse, Quentin M.; MacLaren, Ian; Findlay, Scott D.; Fraleigh, Robert D.; Ross, Ian M.; Hu, Shunbo; Ren, Wei; Mark Rainforth, W.

    2015-01-01

    Researchers have demonstrated that BiFeO3 exhibits ferroelectric hysteresis but none have shown a strong ferromagnetic response in either bulk or thin film without significant structural or compositional modification. When remanent magnetisations are observed in BiFeO3 based thin films, iron oxide second phases are often detected. Using aberration-corrected scanning transmission electron microscopy, atomic resolution electron energy loss spectrum-mapping and quantitative energy dispersive X-ray spectroscopy analysis, we reveal the existence of a new Fe2O3-rich perovskite nanophase, with an approximate formula (Fe0.6Bi0.25Nd0.15)3+ Fe3+O3, formed within epitaxial Ti and Nd doped BiFeO3 perovskite films grown by pulsed laser deposition. The incorporation of Nd and Bi ions on the A-site and coherent growth with the matrix stabilise the Fe2O3-rich perovskite phase and preliminary density functional theory calculations suggest that it should have a ferrimagnetic response. Perovskite-structured Fe2O3 has been reported previously but never conclusively proven when fabricated at high-pressure high-temperature. This work suggests the incorporation of large A-site species may help stabilise perovskite-structured Fe2O3. This finding is therefore significant not only to the thin film but also to the high-pressure community. PMID:26272264

  16. Stabilisation of Fe2O3-rich Perovskite Nanophase in Epitaxial Rare-earth Doped BiFeO3 Films.

    PubMed

    Zhang, Huairuo; Reaney, Ian M; Marincel, Daniel M; Trolier-McKinstry, Susan; Ramasse, Quentin M; MacLaren, Ian; Findlay, Scott D; Fraleigh, Robert D; Ross, Ian M; Hu, Shunbo; Ren, Wei; Rainforth, W Mark

    2015-08-14

    Researchers have demonstrated that BiFeO3 exhibits ferroelectric hysteresis but none have shown a strong ferromagnetic response in either bulk or thin film without significant structural or compositional modification. When remanent magnetisations are observed in BiFeO3 based thin films, iron oxide second phases are often detected. Using aberration-corrected scanning transmission electron microscopy, atomic resolution electron energy loss spectrum-mapping and quantitative energy dispersive X-ray spectroscopy analysis, we reveal the existence of a new Fe2O3-rich perovskite nanophase, with an approximate formula (Fe0.6Bi0.25Nd0.15)(3+) Fe(3+)O3, formed within epitaxial Ti and Nd doped BiFeO3 perovskite films grown by pulsed laser deposition. The incorporation of Nd and Bi ions on the A-site and coherent growth with the matrix stabilise the Fe2O3-rich perovskite phase and preliminary density functional theory calculations suggest that it should have a ferrimagnetic response. Perovskite-structured Fe2O3 has been reported previously but never conclusively proven when fabricated at high-pressure high-temperature. This work suggests the incorporation of large A-site species may help stabilise perovskite-structured Fe2O3. This finding is therefore significant not only to the thin film but also to the high-pressure community.

  17. Stabilisation of Fe2O3-rich Perovskite Nanophase in Epitaxial Rare-earth Doped BiFeO3 Films.

    PubMed

    Zhang, Huairuo; Reaney, Ian M; Marincel, Daniel M; Trolier-McKinstry, Susan; Ramasse, Quentin M; MacLaren, Ian; Findlay, Scott D; Fraleigh, Robert D; Ross, Ian M; Hu, Shunbo; Ren, Wei; Rainforth, W Mark

    2015-01-01

    Researchers have demonstrated that BiFeO3 exhibits ferroelectric hysteresis but none have shown a strong ferromagnetic response in either bulk or thin film without significant structural or compositional modification. When remanent magnetisations are observed in BiFeO3 based thin films, iron oxide second phases are often detected. Using aberration-corrected scanning transmission electron microscopy, atomic resolution electron energy loss spectrum-mapping and quantitative energy dispersive X-ray spectroscopy analysis, we reveal the existence of a new Fe2O3-rich perovskite nanophase, with an approximate formula (Fe0.6Bi0.25Nd0.15)(3+) Fe(3+)O3, formed within epitaxial Ti and Nd doped BiFeO3 perovskite films grown by pulsed laser deposition. The incorporation of Nd and Bi ions on the A-site and coherent growth with the matrix stabilise the Fe2O3-rich perovskite phase and preliminary density functional theory calculations suggest that it should have a ferrimagnetic response. Perovskite-structured Fe2O3 has been reported previously but never conclusively proven when fabricated at high-pressure high-temperature. This work suggests the incorporation of large A-site species may help stabilise perovskite-structured Fe2O3. This finding is therefore significant not only to the thin film but also to the high-pressure community. PMID:26272264

  18. Dependence of catalytic properties of Al/Fe2O3 thermites on morphology of Fe2O3 particles in combustion reactions

    NASA Astrophysics Data System (ADS)

    Zhao, Ningning; He, Cuicui; Liu, Jianbing; Gong, Hujun; An, Ting; Xu, Huixiang; Zhao, Fengqi; Hu, Rongzu; Ma, Haixia; Zhang, Jinzhong

    2014-11-01

    Three Fe2O3 particle samples with the same crystal structure but different morphologies were prepared by the hydrothermal method and then combined with Al nanoparticles to produce Al/Fe2O3 thermites using ultrasonic mixing. The properties of Fe2O3 and Al/Fe2O3 were studied using a combination of experimental techniques including scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). The influences of the three Al/Fe2O3 thermites on the combustion properties of the AP/HTPB (ammonium perchlorate/hydroxyl-terminated polybutadiene) composite propellant were investigated in comparison to those of Fe2O3. The results show that the Al/Fe2O3 thermites are better than Fe2O3 in enhancing the combustion performance of AP/HTPB. Furthermore, the surface area, which depends on size and mophology, of Fe2O3 particles was found to play a vital role in improving the burning rate of the thermites-containing propellant formulation, with the smallest particles with the largest surface-to-volume (S/V) ratio performing the best. The enhanced catalytic property of the granular-shape Fe2O3 and the corresponding thermite is attributed to the large specific surface area of Fe2O3. The different thermal behaviors of these three superthemites were supposed to be attributed to the surface site of Fe2O3 particles. This work provides a better understanding on the catalytic properties of thermites that are important for combustion applications.

  19. The influence of local circulations on vertical profiles of NO2 and O3 at semi-rural sites during DISCOVER-AQ campaigns in California, Texas, and Colorado

    NASA Astrophysics Data System (ADS)

    Stein Zweers, D. C.; Pickering, K. E.; Clark, R. D.; Weinheimer, A. J.; Flynn, C.; Mazzuca, G.; Spinei, E.

    2014-12-01

    Through use of the Millersville University tethersonde balloon an NO2-sonde, developed at the Royal Netherlands Meteorological Institute (KNMI), profiled the lower boundary layer as part of the larger NASA Earth Venture program funded mission. This campaign known as DISCOVER-AQ stands for 'Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality'. Recent results from the California, Texas, and Colorado deployments of DISCOVER-AQ highlight the importance of semi-continuous, daytime measurement of the vertical distribution of ozone and NO2 in the lower boundary layer. The balloon profiles, typically from the surface to 500m above ground level, fill an important gap between surface measurements and the lowest extent of aircraft measurements. This near-surface region of the atmosphere is highly variable and local circulation features including land-sea breezes and mountain-valley breezes were observed. These circulations altered local transport patterns and led to changes in the chemical regime at each site. These processes were especially apparent at Smith Point, Texas during an extreme pollution event on 25 September 2013. The extent to which these local circulations influenced diurnal variation and vertical distribution of NO2 and ozone is evaluated and compared for each semi-rural site using wind direction and other meteorological data. NO2-sonde profile data is compared to ground station trace gas analyzers and where available, column and profile measurements from PANDORA spectrometer instruments. These data measured in the segment of the near-surface atmosphere most critical for human health are unique and crucial for validation of satellite columns and atmospheric chemical models.

  20. Plasma etching behavior of Y2O3 ceramics: Comparative study with Al2O3

    NASA Astrophysics Data System (ADS)

    Cao, Yu-Chao; Zhao, Lei; Luo, Jin; Wang, Ke; Zhang, Bo-Ping; Yokota, Hiroki; Ito, Yoshiyasu; Li, Jing-Feng

    2016-03-01

    The plasma etching behavior of Y2O3 coating was investigated and compared with that of Al2O3 coating under various conditions, including chemical etching, mixing etching and physical etching. The etching rate of Al2O3 coating declined with decreasing CF4 content under mixing etching, while that of Y2O3 coating first increased and then decreased. In addition, the Y2O3 coating demonstrated higher erosion-resistance than Al2O3 coating after exposing to fluorocarbon plasma. X-ray photoelectron spectroscopy (XPS) analysis confirmed the formations of YF3 and AlF3 on the Y2O3 and Al2O3 coatings, respectively, which acted as the protective layer to prevent the surface from further erosion with fluorocarbon plasma. It was revealed that the etching behavior of Y2O3 depended not only on the surface fluorination but also on the removal of fluoride layer. To analyze the effect of porosity, Y2O3 bulk samples with high density were prepared by spark plasma sintering, and they demonstrated higher erosion-resistances compared with Y2O3 coating.

  1. Transport in ferromagnetic GdTiO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Moetakef, Pouya; Zhang, Jack Y.; Kozhanov, Alexander; Jalan, Bharat; Seshadri, Ram; Allen, S. James; Stemmer, Susanne

    2011-03-01

    Epitaxial GdTiO3/SrTiO3 structures with different SrTiO3 layer thicknesses are grown on (001) (LaAlO3)0.3(Sr2AlTaO6)0.7 substrate surfaces by hybrid molecular beam epitaxy. It is shown that the formation of the pyrochlore (Gd2Ti2O7) phase can be avoided if GdTiO3 is grown by shuttered growth, supplying alternating monolayer doses of Gd and of the metalorganic precursor that supplies both Ti and O. Phase-pure GdTiO3 films grown by this approach exhibit magnetic ordering with a Curie temperature of 30 K. The electrical transport characteristics can be understood as being dominated by a conductive interface layer within the SrTiO3.

  2. Water formation by surface O3 hydrogenation.

    PubMed

    Romanzin, C; Ioppolo, S; Cuppen, H M; van Dishoeck, E F; Linnartz, H

    2011-02-28

    Three solid state formation routes have been proposed in the past to explain the observed abundance of water in space: the hydrogenation reaction channels of atomic oxygen (O + H), molecular oxygen (O(2) + H), and ozone (O(3) + H). New data are presented here for the third scheme with a focus on the reactions O(3) + H, OH + H and OH + H(2), which were difficult to quantify in previous studies. A comprehensive set of H/D-atom addition experiments is presented for astronomically relevant temperatures. Starting from the hydrogenation/deuteration of solid O(3) ice, we find experimental evidence for H(2)O/D(2)O (and H(2)O(2)/D(2)O(2)) ice formation using reflection absorption infrared spectroscopy. The temperature and H/D-atom flux dependence are studied and this provides information on the mobility of ozone within the ice and possible isotope effects in the reaction scheme. The experiments show that the O(3) + H channel takes place through stages that interact with the O and O(2) hydrogenation reaction schemes. It is also found that the reaction OH + H(2) (OH + H), as an intermediate step, plays a prominent (less efficient) role. The main conclusion is that solid O(3) hydrogenation offers a potential reaction channel for the formation of water in space. Moreover, the nondetection of solid ozone in dense molecular clouds is consistent with the astrophysical picture in which O(3) + H is an efficient process under interstellar conditions.

  3. Formation enthalpies of LaLn'O3 (Ln'=Ho, Er, Tm and Yb) interlanthanide perovskites

    NASA Astrophysics Data System (ADS)

    Qi, Jianqi; Guo, Xiaofeng; Mielewczyk-Gryn, Aleksandra; Navrotsky, Alexandra

    2015-07-01

    High-temperature oxide melt solution calorimetry using 3Na2O·MoO3 at 802 °C was performed for interlanthanide perovskites LaLn'O3 (Ln'=Ho, Er, Tm and Yb) and lanthanide oxides (La2O3, Ho2O3, Er2O3, Tm2O3 and Yb2O3). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be -8.3±3.4 kJ/mol for LaHoO3, -9.9±3.0 kJ/mol for LaErO3, -10.8±2.7 kJ/mol for LaTmO3 and -12.3±2.9 kJ/mol for LaYbO3. There is a roughly linear relationships between these enthalpy values and the tolerance factor for these and for other LaM3+O3 (M=In, Sc, Ga, Al, Fe and Cr) perovskites, confirming that the distortion of the perovskites as results from ionic radius difference of A-site and B-site cations, is the main factor determining the stability of these compounds.

  4. Local structure in BaTi O3-BiSc O3 dipole glasses

    NASA Astrophysics Data System (ADS)

    Levin, I.; Krayzman, V.; Woicik, J. C.; Bridges, F.; Sterbinsky, G. E.; Usher, T.-M.; Jones, J. L.; Torrejon, D.

    2016-03-01

    Local structures in cubic perovskite-type (B a0.6B i0.4) (T i0.6S c0.4) O3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-center displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kV m m-1 .

  5. High-pressure synthesis and structural, physical properties of CaIr1-xPtxO3 and CaIr1-xRhxO3

    NASA Astrophysics Data System (ADS)

    Hirai, S.; Bromiley, G. D.; Klemme, S.; Irifune, T.; Ohfuji, H.; Attfield, P.; Nishiyama, N.

    2010-12-01

    in terms of materials science applications. To our knowledge, this will be the first report on structural, magnetic and charge-transport properties of B-site substituted solid solutions of post-perovskite oxides with 4d/5d transition metals. High-quality polycrystalline samples of CaIr1-xPtxO3 and CaIr1-xRhxO3 have been obtained at high pressures, and structural, magnetic and charge-transport properties of the compounds will be reported. ODF analysis reveals that solutions of CaIrO3, CaPtO3 and CaRhO3 exhibit similar grain growth features to the mother compound, although growth in [0 1 0] plays a more dominant role than the growth in [0 0 1] for the solid solutions. CaIrO3 is a characteristic hard magnet suitable for applications such as magnetic recording, with TN = 108K. A new phase of CaIr1-xPtxO3 synthesized at a high P/T condition has Raman modes which resemble those of CaIrO3 perovskite, suggesting this phase has a perovskite structure.The instability of the perovskite phase of CaIr1-xPtxO3 reveals why the post-perovskite to peovskite phase transition has not been observed for CaPtO3 unlike the case for CaIrO3, CaRhO3 and CaRuO3.

  6. Conducting band structure in LaTiO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    Chang, Young Jun; Moreschini, Luca; Bostwick, Aaron; Walter, Andrew L.; Horn, Karsten; Rotenberg, Eli

    2012-02-01

    Oxide interfaces between insulating hosts show unexpected conducting carriers, which can be useful for next-generation electronic applications. However, the fundamental understanding of the conducting interfaces remains elusive. Here we report in situ angle-resolved photoemission spectroscopy (ARPES) studies in the LaTiO3/SrTiO3 heterostructures, of which layer thicknesses were precisely prepared by pulsed laser deposition in the BL7.0, ALS. We found that the interface generates a high-density electron gas over few unit cells from the junction. We further discuss the orbital characteristics of the interface electronic states with comparison to the recent theoretical calculations. Based on the unit-cell layer resolved electronic structure of the LaTiO3/SrTiO3 interface, we discuss the conducting carriers comparing to the LaAlO3/SrTiO3 interfaces.

  7. Interfacial ferromagnetism in LaNiO3/CaMnO3 superlattices.

    PubMed

    Grutter, A J; Yang, H; Kirby, B J; Fitzsimmons, M R; Aguiar, J A; Browning, N D; Jenkins, C A; Arenholz, E; Mehta, V V; Alaan, U S; Suzuki, Y

    2013-08-23

    We observe interfacial ferromagnetism in superlattices of the paramagnetic metal LaNiO3 and the antiferromagnetic insulator CaMnO3. LaNiO3 exhibits a thickness dependent metal-insulator transition and we find the emergence of ferromagnetism to be coincident with the conducting state of LaNiO3. That is, only superlattices in which the LaNiO3 layers are metallic exhibit ferromagnetism. Using several magnetic probes, we have determined that the ferromagnetism arises in a single unit cell of CaMnO3 at the interface. Together these results suggest that ferromagnetism can be attributed to a double exchange interaction among Mn ions mediated by the adjacent itinerant metal.

  8. The remarkable enhancement of CO-pretreated CuO-Mn2O3/γ-Al2O3 supported catalyst for the reduction of NO with CO: the formation of surface synergetic oxygen vacancy.

    PubMed

    Li, Dan; Yu, Qiang; Li, Shan-Shan; Wan, Hai-Qin; Liu, Lian-Jun; Qi, Lei; Liu, Bin; Gao, Fei; Dong, Lin; Chen, Yi

    2011-05-01

    NO reduction by CO was investigated over CuO/γ-Al2O3, Mn2O3/γ-Al2O3, and CuOMn2O3/γ-Al2O3 model catalysts before and after CO pretreatment at 300 °C. The CO-pretreated CuO-Mn2O3/γ-Al2O3 catalyst exhibited higher catalytic activity than did the other catalysts. Based on X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV/Vis diffuse reflectance spectroscopy (DRS), Raman, and H2-temperature-programmed reduction (TPR) results, as well as our previous studies, the possible interaction model between dispersed copper and manganese oxide species as well as γ-Al2O3 surface has been proposed. In this model, Cu and Mn ions occupied the octahedral vacant sites of γ-Al2O3, with the capping oxygen on top of the metal ions to keep the charge conservation. For the fresh CuO/γ-Al2O3 and Mn2O3/γ-Al2O3 catalysts, the -Cu-O-Cu- and -Mn-O-Mn- species were formed on the surface of γ-Al2O3, respectively; but for the fresh CuO-Mn2O3/γ-Al2O3 catalyst, -Cu-O-Mn- species existed on the surface of -Al2O3. After CO pretreatment, -Cu-□-Cu- and -Mn-□-Mn- (□ represents surface oxygen vacancy (SOV)) species would be formed in CO-pretreated CuO/γ-Al2O3 and CO-pretreated Mn2O3/γ-Al2O3 catalysts, respectively; whereas -Cu-□-Mn- species existed in CO-pretreated CuO-Mn2O3/γ-Al2O3. Herein, a new concept, surface synergetic oxygen vacancy (SSOV), which describes the oxygen vacancy formed between the individual Mn and Cu ions, is proposed for CO-pretreated CuO-Mn2O3/γ-Al2O3 catalyst. In addition, the role of SSOV has also been approached by NO temperature-programmed desorption (TPD) and in situ FTIR experiments. The FTIR results of competitive adsorption between NO and CO on all the CO-pretreated CuO/γ-Al2O3, Mn2O3/γ-Al2O3, and CuO-Mn2O3/γ-Al2O3 samples demonstrated that NO molecules mainly were adsorbed on Mn2+ and CO mainly on Cu+ sites. The current study suggests that the properties of the SSOVs in CO-pretreated CuO-Mn2O3/γ-Al2O3 catalyst were significantly

  9. Charge Writing at the LaAlO3/SrTiO3 surface.

    PubMed

    Xie, Yanwu; Bell, Christopher; Yajima, Takeaki; Hikita, Yasuyuki; Hwang, Harold Y

    2010-07-14

    Biased conducting-tip atomic force microscopy (AFM) has been shown to write and erase nanoscale metallic lines at the LaAlO(3)/SrTiO(3) interface. Using various AFM modes, we show the mechanism of conductivity switching is the writing of surface charge. These charges are stably deposited on a wide range of LaAlO(3) thicknesses, including bulk crystals. A strong asymmetry with writing polarity was found for 1 and 2 unit cells of LaAlO(3), providing experimental evidence for a theoretically predicted built-in potential.

  10. Transparent Conducting Properties of SrSnO3 and ZnSnO3

    DOE PAGES

    Ong, Khuong P.; Fan, Xiaofeng; Subedi, Alaska; Sullivan, Michael B.; Singh, David J.

    2015-04-29

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

  11. Photoresponse dynamics in amorphous-LaAlO3/SrTiO3 interfaces

    PubMed Central

    Di Gennaro, Emiliano; Coscia, Ubaldo; Ambrosone, Giuseppina; Khare, Amit; Granozio, Fabio Miletto; di Uccio, Umberto Scotti

    2015-01-01

    The time-resolved photoconductance of amorphous and crystalline LaAlO3/SrTiO3 interfaces, both hosting an interfacial 2-dimensional electron gas, is investigated under irradiation by variable-wavelengths, visible or ultraviolet photons. Unlike bare SrTiO3 single crystals, showing relatively small photoconductance effects, both kinds of interfaces exhibit an intense and highly persistent photoconductance with extraordinarily long characteristic times. The temporal behaviour of the extra photoinduced conductance persisting after light irradiation shows a complex dependence on interface type (whether amorphous or crystalline), sample history and irradiation wavelength. The experimental results indicate that different mechanisms of photoexcitation are responsible for the photoconductance of crystalline and amorphous LaAlO3/SrTiO3 interfaces under visible light. We propose that the response of crystalline samples is mainly due to the promotion of electrons from the valence bands of both SrTiO3 and LaAlO3. This second channel is less relevant in amorphous LaAlO3/SrTiO3, where the higher density of point defects plays instead a major role. PMID:25670163

  12. Photoresponse dynamics in amorphous-LaAlO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    di Gennaro, Emiliano; Coscia, Ubaldo; Ambrosone, Giuseppina; Khare, Amit; Granozio, Fabio Miletto; di Uccio, Umberto Scotti

    2015-02-01

    The time-resolved photoconductance of amorphous and crystalline LaAlO3/SrTiO3 interfaces, both hosting an interfacial 2-dimensional electron gas, is investigated under irradiation by variable-wavelengths, visible or ultraviolet photons. Unlike bare SrTiO3 single crystals, showing relatively small photoconductance effects, both kinds of interfaces exhibit an intense and highly persistent photoconductance with extraordinarily long characteristic times. The temporal behaviour of the extra photoinduced conductance persisting after light irradiation shows a complex dependence on interface type (whether amorphous or crystalline), sample history and irradiation wavelength. The experimental results indicate that different mechanisms of photoexcitation are responsible for the photoconductance of crystalline and amorphous LaAlO3/SrTiO3 interfaces under visible light. We propose that the response of crystalline samples is mainly due to the promotion of electrons from the valence bands of both SrTiO3 and LaAlO3. This second channel is less relevant in amorphous LaAlO3/SrTiO3, where the higher density of point defects plays instead a major role.

  13. Comparison of sludge treatment by O3 and O3/H2O2.

    PubMed

    Yuxin, Zhao; Liang, Wang; Helong, Yu; Baojun, Jiang; Jinming, Jiang

    2014-01-01

    This work focuses on the comparison of sludge decomposition caused by ozone (O3) alone and by ozone/hydrogen peroxide (O3/H2O2). The content of carbonaceous organic materials, nitrogenous compounds and phosphoric substances in sludge supernatant were measured. The release of soluble chemical oxygen demand, total nitrogen (TN) and total phosphorus (TP) caused by O3/H2O2 treatment were more than by O3 alone. As a result, it can be concluded that the efficiency of sludge breakup in O3/H2O2 was better than that in O3 alone. However, a peak appeared in both systems for the biodegradable substances such as carbohydrate. Carbohydrate could be used as the carbon source for denitrification, and the releasing of TN and TP may become an additional burden for a subsequent biological system. So, it was of benefit for the enhancement of cryptic growth and cost reduction by raising and maintaining the content of biodegradable substance and reducing the concentrations of the nitrogenous and phosphoric substances as far as possible. Therefore, sludge treated by O3/H2O2 with lower O3 dose would be more suitable than O3 alone. PMID:25026588

  14. Metastable honeycomb SrTiO3/SrIrO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Anderson, T. J.; Ryu, S.; Zhou, H.; Xie, L.; Podkaminer, J. P.; Ma, Y.; Irwin, J.; Pan, X. Q.; Rzchowski, M. S.; Eom, C. B.

    2016-04-01

    Recent theory predictions of exotic band topologies in (111) honeycomb perovskite SrIrO3 layers sandwiched between SrTiO3 have garnered much attention in the condensed matter physics and materials communities. However, perovskite SrIrO3 film growth in the (111) direction remains unreported, as efforts to synthesize pure SrIrO3 on (111) perovskite substrates have yielded films with monoclinic symmetry rather than the perovskite structure required by theory predictions. In this study, we report the synthesis of ultra-thin metastable perovskite SrIrO3 films capped with SrTiO3 grown on (111) SrTiO3 substrates by pulsed laser deposition. The atomic structure of the ultra-thin films was examined with scanning transmission electron microscopy (STEM), which suggests a perovskite layering distinct from the bulk SrIrO3 monoclinic phase. In-plane 3-fold symmetry for the entire heterostructure was confirmed using synchrotron surface X-ray diffraction to measure symmetry equivalent crystal truncation rods. Our findings demonstrate the ability to stabilize (111) honeycomb perovskite SrIrO3, which provides an experimental avenue to probe the phenomena predicted for this material system.

  15. Photoemission study of LaAl O3 /SrTi O3 and LaAl O3 /Nb :SrTi O3 : Insulator-insulator versus insulator-semiconductor interfaces

    NASA Astrophysics Data System (ADS)

    Susaki, Tomofumi; Ueda, Shigenori; Matsuzaki, Kosuke; Kobayashi, Toshihiro; Toda, Yoshitake; Hosono, Hideo

    2016-08-01

    By hard x-ray photoemission spectroscopy we have studied the electronic states of LaAl O3 /SrTi O3 (100) and LaAlO3/Nb : SrTiO3(100) heterostructures, where the polar LaAl O3 layer is grown on the insulating and conducting substrates, respectively. The analysis of the valence band has shown that the electron affinity is as small as +0.4 eV in both the LaAl O3 /SrTi O3 and LaAl O3 /Nb :SrTi O3 heterostructures. The interface is "staggered type" (type II) in both of the heterostructures with the valence band maximum of LaAl O3 above the valence band maximum of SrTi O3 . The valence band offset of 0.42 eV in the LaAl O3 /SrTi O3 heterostructure has increased to 0.61 eV in the LaAl O3 /Nb :SrTi O3 as the LaAl O3 component shifts towards the lower binding energy side. The electronic states of LaAl O3 and SrTi O3 have been merged with each other in the lower energy part of the valence band of the LaAl O3 /Nb :SrTi O3 heterostructures.

  16. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    Kornreich, Philip

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and clear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiN bo, Cylinder Fiber. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a "D". The core with its surrounding LiNbO, layer would be close to the flat portion of the "D" shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO3 layer. To our knowledge this is the first ever LiNbO3 Cylinder Fiber made.

  17. Dependence of electrostatic potential distribution of Al2O3/Ge structure on Al2O3 thickness

    NASA Astrophysics Data System (ADS)

    Wang, Xiaolei; Xiang, Jinjuan; Wang, Wenwu; Zhao, Chao; Zhang, Jing

    2016-09-01

    Electrostatic potential distribution of Al2O3/Ge structure is investigated vs. Al2O3 thickness by X-ray photoelectron spectroscopy (XPS). The electrostatic potential distribution is found to be Al2O3 thickness dependent. This interesting phenomenon is attributed to the appearance of gap states on Al2O3 surface (GSAl2O3) and its higher charge neutrality level (CNL) compared with the CNL of gap states at Al2O3/Ge interface (GSAl2O3/Ge), leading to electron transfer from GSAl2O3 to GSAl2O3/Ge. In the case of thicker Al2O3, fewer electrons transfer from GSAl2O3 to GSAl2O3/Ge, resulting in a larger potential drop across Al2O3 and XPS results.

  18. Frustration of Negative Capacitance in Al2O3/BaTiO3 Bilayer Structure

    PubMed Central

    Kim, Yu Jin; Park, Min Hyuk; Lee, Young Hwan; Kim, Han Joon; Jeon, Woojin; Moon, Taehwan; Do Kim, Keum; Jeong, Doo Seok; Yamada, Hiroyuki; Hwang, Cheol Seong

    2016-01-01

    Enhancement of capacitance by negative capacitance (NC) effect in a dielectric/ferroelectric (DE/FE) stacked film is gaining a greater interest. While the previous theory on NC effect was based on the Landau-Ginzburg-Devonshire theory, this work adopted a modified formalism to incorporate the depolarization effect to describe the energy of the general DE/FE system. The model predicted that the SrTiO3/BaTiO3 system will show a capacitance boost effect. It was also predicted that the 5 nm-thick Al2O3/150 nm-thick BaTiO3 system shows the capacitance boost effect with no FE-like hysteresis behavior, which was inconsistent with the experimental results; the amorphous-Al2O3/epitaxial-BaTiO3 system showed a typical FE-like hysteresis loop in the polarization – voltage test. This was due to the involvement of the trapped charges at the DE/FE interface, originating from the very high field across the thin Al2O3 layer when the BaTiO3 layer played a role as the NC layer. Therefore, the NC effect in the Al2O3/BaTiO3 system was frustrated by the involvement of reversible interface charge; the highly stored charge by the NC effect of the BaTiO3 during the charging period could not be retrieved during the discharging process because integral part of the polarization charge was retained within the system as a remanent polarization. PMID:26742878

  19. Systematic investigation of chemical substitution in BaSnO3 using the combinatorial approach

    NASA Astrophysics Data System (ADS)

    Takeuchi, Ichiro; Shin, Jongmoon; Lee, Seunghun; Zhang, Xiaohang; Jaim, H. M. Iftekhar; Jeong, Se-Young

    BaSnO3 has been regarded as a possible material for photo-catalysis, dielectric capacitors, and transparent conductors. We are systematically investigating the effect of chemical substitution for A and B sites in BaSnO3 using a high-throughput methodology. We have thus far investigated the effect of substituting La and Sr for the Ba-site and Pb and Bi for the Sn-site. The composition spread films were prepared on MgO, SrTiO3 and LaAlO3 using combinatorial pulsed laser deposition. The lattice parameters and band-gap energies were found to continually change as a function of the concentration of each substitutional dopant. We find that the band gap can be tuned from 2.8 eV for BaSn0.05Pb0.95O3 to 4.5 eV for Ba0.05La0.95SnO3. Especially for Ba1-xLaxSnO3 with x in the range of 0.05

  20. Electrical characteristics of SrTiO3/Al2O3 laminated film capacitors

    NASA Astrophysics Data System (ADS)

    Peng, Yong; Yao, Manwen; Chen, Jianwen; Xu, Kaien; Yao, Xi

    2016-07-01

    The electrical characteristics of SrTiO3/Al2O3 (160 nm up/90 nm down) laminated film capacitors using the sol-gel process have been investigated. SrTiO3 is a promising and extensively studied high-K dielectric material, but its leakage current property is poor. SrTiO3/Al2O3 laminated films can effectively suppress the demerits of pure SrTiO3 films under low electric field, but the leakage current value reaches to 0.1 A/cm2 at higher electric field (>160 MV/m). In this study, a new approach was applied to reduce the leakage current and improve the dielectric strength of SrTiO3/Al2O3 laminated films. Compared to laminated films with Au top electrodes, dielectric strength of laminated films with Al top electrodes improves from 205 MV/m to 322 MV/m, simultaneously the leakage current maintains the same order of magnitude (10-4 A/cm2) until the breakdown occurs. The above electrical characteristics are attributed to the anodic oxidation reaction in origin, which can repair the defects of laminated films at higher electric field. The anodic oxidation reactions have been confirmed by the corresponding XPS measurement and the cross sectional HRTEM analysis. This work provides a new approach to fabricate dielectrics with high dielectric strength and low leakage current.

  1. Ferromagnetism in chemically reduced LiNbO3 and LiTaO3 crystals

    NASA Astrophysics Data System (ADS)

    Yan, Tao; Ye, Ning; Xu, Liuwei; Sang, Yuanhua; Chen, Yanxue; Song, Wei; Long, Xifa; Wang, Jiyang; Liu, Hong

    2016-05-01

    The ferromagnetism of bulk LiNbO3 and LiTaO3 at room temperature was investigated for the first time in the present work. The stoichiometric LiNbO3 is non-magnetic, while congruent LiNbO3 and LiTaO3 show very weak ferromagnetism. After chemical reduction in a mixture of zinc and lithium carbonate powders under flowing nitrogen, the ferromagnetic behavior of each sample became clear, with an increased value of magnetization. The saturation magnetization, the magnetic remanence and the coercive field of reduced congruent LiNbO3 are 7.0  ×  10‑3 emu g‑1, 0.65  ×  10‑3 emu g‑1 and 0.050 kOe, respectively. The ferromagnetism of chemically reduced LiNbO3 and LiTaO3 can be explained by considering the intrinsic Li vacancies, the appearance of Nb4+ (or Ta4+) on the surface with non-zero net spin and the oxygen vacancies at the surface.

  2. Thermodynamic Assessment of the Y2o3-yb2o3-zro2 System

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

    2002-01-01

    Yttria-zirconia (Y2O3-ZrO2) is the most widely used of the rare earth oxide-zirconia systems. There are numerous experimental studies of the phase boundaries in this system. In this paper, we assess these data and derive parameters for the solution models in this system. There is current interest in other rare earth oxide-zirconia systems as well as systems with several rare earth oxides and zirconia, which may offer improved properties over the Y2O3-ZrO2 system. For this reason, we also assess the ytterbia-zirconia (Yb2O3-ZrO2) and Y2O3-Yb2O3-ZrO2 system.

  3. ARPES studies in LaTiO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Chang, Young Jun; Moreschini, Luca; Kim, Yong Su; Walter, Andrew L.; Innocenti, Davide; Bostwick, Aaron; Gaines, Geoffrey A.; Horn, Karsten; Rotenberg, Eli

    2011-03-01

    Electronic band structure of LaTiO3/SrTiO3 heterostructures was studied using angle resolved photoemission spectroscopy (ARPES). LaTiO3 films, grown by in situ pulsed laser deposition (PLD) on beamline 7.0.1 at Advanced Light Source, exhibit a thickness-dependent phase transition from the correlated metallic interface to Mott insulator. We observed the quasi-particle peak at the Fermi level explaining the metallic interface for ultrathin LaTiO3, and the band gap opened for thick LaTiO3 similar to the bulk. We compare the thickness dependent electronic structure with theoretically calculated phase diagram (S. Okamoto and A. J. Millis, Nature 428, 630 (2004)). Work supported by U.S. DOE (DE-AC02-05CH11231 for ALS), the Max Planck Society, and Swiss National Science Foundation (PBELP2-125484).

  4. Phase transition and chemical order in the ferroelectric perovskite (1-x)Bi(Mg3/4W1/4)O3-xPbTiO3 solid solution system

    NASA Astrophysics Data System (ADS)

    Stringer, C. J.; Eitel, R. E.; Shrout, T. R.; Randall, C. A.; Reaney, I. M.

    2005-01-01

    Building on the ferroelectric family based on the Bi(Me+3)O3-PbTiO3 solid solutions, the complex solid solution (1-x )Bi(Mg3/4W1/4)O3-xPbTiO3 [(1-x)BMW-xPT] was investigated. This system was found to exhibit a broad morphotropic phase boundary at x ˜0.48mol% PbTiO3 with a corresponding Curie temperature of 205°C separating pseudocubic and tetragonal ferroelectric phases. Based on dielectric, x-ray diffraction (XRD), and calorimetric data, a simple dielectric phase field diagram was established. On further structural analysis with diffraction contrast transmission electron microscopy along with XRD, evidence of B-site chemical ordering was found for the (1-x )Bi(Me'Me″)O3-xPbTiO3 perovskite family.

  5. Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells: a three-orbital strongly correlated generalization of graphene.

    PubMed

    Doennig, David; Pickett, Warren E; Pentcheva, Rossitza

    2013-09-20

    Density functional theory calculations with an on-site Coulomb repulsion term reveal competing ground states in (111)-oriented (LaAlO(3))(M)/(SrTiO(3))(N) superlattices with n-type interfaces, ranging from spin, orbitally polarized (with selective e(g)('), a(1g), or d(xy) occupation), Dirac point Fermi surface, to charge-ordered flat band phases. These phases are steered by the interplay of (i) Hubbard U, (ii) SrTiO(3) quantum well thickness, and (iii) crystal field splitting tied to in-plane strain. In the honeycomb lattice bilayer N = 2 under tensile strain, inversion symmetry breaking drives the system from a ferromagnetic Dirac point (massless Weyl semimetal) to a charge-ordered multiferroic (ferromagnetic and ferroelectric) flat band massive (insulating) phase. With increasing SrTiO(3) quantum well thickness an insulator-to-metal transition occurs. PMID:24093290

  6. Two-dimensional electron gas at the Ti-diffused BiFeO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Chen, Chunlin; Lv, Shuhui; Li, Junjie; Wang, Zhongchang; Liang, Xiaobin; Li, Yanxi; Viehland, Dwight; Nakajima, Ken; Ikuhara, Yuichi

    2015-07-01

    Oxide heterostructures with the broken translational symmetry often trigger a two-dimensional quantum confinement and associated unique electronic properties that cannot be observed in bulk constituents. Particular interest is devoted to the formation of two-dimensional electron gas (2DEG) at heterointerfaces between two insulators, which offers a fertile ground for fabricating advanced electronic devices. Here, we combine atomic force microscopy, transmission electron microscopy, and atomistic first-principles calculations to demonstrate that the (100) BiFeO3/SrTiO3 interface takes on a metallic nature and a 2DEG is generated at this interface. Our findings also reveal that the electronic reconstruction due to the polar discontinuity and the variation in valence state of Ti arising from diffusion of Ti cations in SrTiO3 to Fe sites of BiFeO3 are critical to the formation of 2DEG at the heterointerface.

  7. LiNbO3 Cylinder Fiber

    NASA Technical Reports Server (NTRS)

    2004-01-01

    We have successfully fabricate optical fiber with a thin layer of LiNbO3 at the boundary of the glass core and dear glass cladding. The construction of this fiber is based on our successful Semiconductor Cylinder Fibers (SCF). A schematic representation of a LiNbO3 Cylinder Fiber is shown. These fibers can be used as light modulators, sonar detectors and in other applications. The core diameter of the fiber is sufficiently small compared to the light wavelength and the indices of refraction of the core and cladding glasses are sufficiently close in value so that there is sufficient light at the core cladding boundary to interact with the LiNbO3 layer. This fiber functions best when just a single light mode propagates through the fiber. The idea for a LiNbO3 Cylinder Fiber came from Dr. Tracee Jamison of NASA. The optical properties of LiNbO3 can be changed with strain or the application of an electric field. Thus these fibers can be used as acoustic sensors as for example in a sonar. They can also be used as electric field operated light modulators. However, for this application the fibers would be made with a cross section in the form of a 'D'. The core with its surrounding LiNbO, layer would be close to the flat portion of the 'D' shaped fiber. Two metal contacts would be deposited on the flat portion of the fiber on either side of the core. A voltage applied across these contacts will result in an electric field in the core region that can be used for modulating the optical properties of the LiNbO, layer. To our knowledge this is the first ever LiNbO, Cylinder Fiber made.

  8. Fe2O3/Co3O4 composite nanoparticle ethanol sensor

    NASA Astrophysics Data System (ADS)

    Mirzaei, Ali; Park, Sunghoon; Sun, Gun-Joo; Kheel, Hyejoon; Lee, Chongmu; Lee, Sangmin

    2016-08-01

    In this study Fe2O3/Co3O4 nanocomposites were synthesized by using a simple hydrothermal route. The X-ray diffraction analysis results showed that the synthesized powders were pure and nanocrystalline in nature. Moreover, scanning electron microscopy revealed that Fe2O3 nanoparticles had spherical shapes while Co3O4 particles had a rod-like morphology. The ethanol sensing properties of Fe2O3/Co3O4 nanocomposites were examined and compared with those of pristine Fe2O3 nanoparticles. The gas sensing properties of Fe2O3/Co3O4 nanocomposites were shown to be superior to those of pristine Fe2O3 nanoparticles and for all concentrations of ethanol, the response of the nanocomposite sensor was shown to be higher than that of the pristine Fe2O3 nanoparticle sensor. In detail, the response of the Fe2O3/Co3O4 nanocomposite sensor to 200 ppm of ethanol at 300 °C was about 3 times higher than that of pristine sensor. Also, in general, the response and recovery times of the Fe2O3/Co3O4 nanocomposite sensor were shorter than those of the pristine one. The improved sensing characteristics of the Fe2O3/Co3O4 sensor were attributed to a combination of several effects: the formation of a potential barrier at the Fe2O3-Co3O4 interface, the enhanced modulation of the conduction channel width accompanying the adsorption and desorption of ethanol gas, the catalytic activity of Co3O4 for the oxidation of ethanol, the stronger oxygen adsorption of p-type Co3O4, and the formation of preferential adsorption sites.

  9. Coupled skyrmion sublattices in Cu2OSeO3

    SciTech Connect

    Langner, M.C.; Roy,, S.; Mishra, S. K.; Lee, J. C. T.; Shi,, X. W.; Hossain, M. A.; Chuang, Y.-D.; Seki, S.; Tokura, Y.; Kevan, S. D.; Schoenlein, R. W.

    2014-04-18

    We report the observation of a skyrmion lattice in the chiral multiferroic insulator Cu2OSeO3 using Cu L3-edge resonant soft x-ray diffraction. We observe the unexpected existence of two distinct skyrmion sub-lattices that arise from inequivalent Cu sites with chemically identical coordination numbers but different magnetically active orbitals . The skyrmion sublattices are rotated with respect to each other implying a long wavelength modulation of the lattice. The modulation vector is controlled with an applied magnetic field, associating this Moir'e-like phase with a continuous phase transition. Our findings will open a new class of science involving manipulation of quantum topological states.

  10. Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure

    DOE PAGES

    Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Kim, J. -W.; Ryan, P. J.; Freeland, J. W.; Chakhalian, J.

    2016-01-21

    In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibitsmore » interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and eg orbital band splitting. Here, our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.« less

  11. Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure

    PubMed Central

    Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Kim, J.-W.; Ryan, P. J.; Freeland, J.W.; Chakhalian, J.

    2016-01-01

    In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and eg orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states. PMID:26791402

  12. Polarity and the Metal-Insulator Transition in ultrathin LaNiO3 on SrTiO3

    NASA Astrophysics Data System (ADS)

    Freeland, J. W.; Tung, I. C.; Luo, G.; Zhou, H.; Lee, J. H.; Chang, S. H.; Morgan, D.; Bedzyk, M. J.; Fong, D. D.

    Dimensionality and strain control of nickelates has been shown as a route for control of interesting electronic and magnetic phases. However, little is know about the evolution of atomic structure in these layered architectures and the interplay with these states. Here we present, a detailed study of lattice structures measured real time during the layer-by-layer growth of LaNiO3 on SrTiO3. Using hard X-rays coupled with oxide MBE, we have tracked the lattice structure evolution as a function of depth across the regime where transport shows a clear metal to insulator transition. At the same time X-ray absorption shows the films are closer to LaNiO2.5 when thin and evolve to LaNiO3 by 10 unit cells thickness. Analysis of the structure during growth displays a very complex evolution throughout the film of the lattice parameter and displacement of the B-site from the unit cell center, which theory connects with pathways of compensating the polar mismatch at the surface and interface. Work at the APS, Argonne is supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.

  13. Engineered Mott ground state in a LaTiO3+δ/LaNiO3 heterostructure

    NASA Astrophysics Data System (ADS)

    Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Kim, J.-W.; Ryan, P. J.; Freeland, J. W.; Chakhalian, J.

    2016-01-01

    In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+δ, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and eg orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.

  14. Two-dimensional electron gas in GaAs/SrHfO3 heterostructure

    NASA Astrophysics Data System (ADS)

    Wang, Jianli; Yuan, Mengqi; Tang, Gang; Li, Huichao; Zhang, Junting; Guo, Sandong

    2016-06-01

    The III-V/perovskite-oxide system can potentially create new material properties and new device applications by combining the rich properties of perovskite-oxides together with the superior optical and electronic properties of III-Vs. The structural and electronic properties of the surface and interface are studied using first-principles calculations for the GaAs/SrHfO3 heterostructure. We investigate the specific adsorption sites and the atomic structure at the initial growth stage of GaAs on the SrHfO3 (001) substrate. Ga and As adsorption atoms preferentially adsorb at the top sites of oxygen atoms under different coverage. The energetically favorable interfaces are presented among the atomic arrangements of the GaAs/SrHfO3 interfaces. Our calculations predict the existing of the two-dimensional electron gas in the GaAs/SrHfO3 heterostructure.

  15. Use of passive ambient ozone (O3) samplers in vegetation effects assessment

    USGS Publications Warehouse

    Krupa, S.; Nosal, M.; Peterson, D.L.

    2001-01-01

    A stochastistic, Weibull probability model was developed and verified to simulate the underlying frequency distributions of hourly ozone (O3) concentrations (exposure dynamics) using the single, weekly mean values obtained from a passive (sodium nitrite absorbent) sampler. The simulation was based on the data derived from a co-located continuous monitor. Although at the moment the model output may be considered as being specific to the elevation and location of the study site, the results were extremely good. This effort for the approximation of the O3 exposure dynamics can be extended to other sites with similar data sets and in developing a generalized understanding of the stochastic O3 exposure-plant response relationships, conferring measurable benefits to the future use of passive O3 samplers, in the absence of continuous monitoring. Copyright ?? 2000 Elsevier Science Ltd.

  16. Optimization of photoluminescence of Y2O3:Eu and Gd2O3:Eu phosphors synthesized by thermolysis of 2,4-pentanedione complexes

    NASA Astrophysics Data System (ADS)

    Antic, B.; Rogan, J.; Kremenovic, A.; Nikolic, A. S.; Vucinic-Vasic, M.; Bozanic, D. K.; Goya, G. F.; Colomban, Ph

    2010-06-01

    Spherical shaped nanoparticles of series Y2 - xEuxO3 (x = 0.06, 0.10, 0.20, and 2) and Gd2 - xEuxO3 (x = 0.06, 0.10) were prepared by thermolysis of 2,4-pentanedione complexes of Y, Gd, and Eu. The bixbyite phase of Gd2 - xEuxO3 samples was formed at 500 °C, whereas the thermal decomposition of Y and Eu complexes' mixtures occurred at higher temperatures. Linearity in the concentration dependence on lattice parameter confirmed the formation of solid solutions. The distribution of Eu3 + in Gd2 - xEuxO3 was changed with thermal annealing: in the as-prepared sample (x = 0.10) the distribution was preferential at C3i sites while in the annealed samples, Eu3 + were distributed at both C2 and C3i sites. Rietveld refinement of site occupancies as well as emission spectra showed a random distribution of cations in Y2 - xEuxO3. The photoluminescence (PL) measurements of the sample showed red emission with the main peak at 614 nm (5D0-7F2). The PL intensity increased with increasing concentration of Eu3 + in both series. Infrared excitation was required to obtain good Raman spectra. The linear dependence of the main Raman peak wavenumber offers a non-destructive method for monitoring the substitution level and its homogeneity at the micron scale.

  17. Transport properties of a quasi-two-dimensional electron system formed in LaAlO3/EuTiO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    De Luca, G. M.; Di Capua, R.; Di Gennaro, E.; Granozio, F. Miletto; Stornaiuolo, D.; Salluzzo, M.; Gadaleta, A.; Pallecchi, I.; Marrè, D.; Piamonteze, C.; Radovic, M.; Ristic, Z.; Rusponi, S.

    2014-06-01

    We study the structural, magnetic, and transport properties of LaAlO3/EuTiO3/SrTiO3 heterostructures grown by pulsed laser deposition. The samples are characterized in situ by electron diffraction and scanning probe microscopy and ex situ by transport measurements and x-ray absorption spectroscopy. LaAlO3/EuTiO3/SrTiO3 films show a ferromagnetic transition at T ≤7.5 K, related to the ordering of Eu2+ spins, even in samples characterized by just two EuTiO3 unit cells. A finite metallic conductivity is observed only in the case of samples composed by one or two EuTiO3 unit cells and, simultaneously, by a LaAlO3 thickness greater than or equal to four unit cells. The effect of ferromagnetic EuTiO3 on the transport properties of δ-doped LaAlO3/EuTiO3/SrTiO3 is critically discussed.

  18. Effect of O3 and O3/H2O2 on algae harvesting using chitosan.

    PubMed

    Pranowo, R; Lee, D J; Liu, J C; Chang, J S

    2013-01-01

    We examined the effects of pre-oxidation using ozone (O3) and a combination of O3 and hydrogen peroxide (O3/H2O2) on algae suspensions and their harvesting. Inactivation of algae cells, release of intracellular organic matter (IOM), mineralization of extracellular organic matter (EOM), and changes in molecular weight distribution of EOM were found after pre-oxidation. Enhanced separation efficiency of turbidity, dissolved organic carbon (DOC), protein, and polysaccharide using chitosan and polyaluminum chloride (PACl) was found after pre-oxidation, especially when algae cells were subject to O3/H2O2. Chitosan showed higher efficiency than PACl. Judging from the remarkable increase in floc size, it was proposed that released IOM formed complexes with cationic chitosan and resulted in enhanced dual flocculation and facilitated algae separation.

  19. Mechanical Tuning of LaAlO3/SrTiO3 Interface Conductivity.

    PubMed

    Sharma, P; Ryu, S; Burton, J D; Paudel, T R; Bark, C W; Huang, Z; Ariando; Tsymbal, E Y; Catalan, G; Eom, C B; Gruverman, A

    2015-05-13

    In recent years, complex-oxide heterostructures and their interfaces have become the focus of significant research activity, primarily driven by the discovery of emerging states and functionalities that open up opportunities for the development of new oxide-based nanoelectronic devices. The highly conductive state at the interface between insulators LaAlO3 and SrTiO3 is a prime example of such emergent functionality, with potential application in high electron density transistors. In this report, we demonstrate a new paradigm for voltage-free tuning of LaAlO3/SrTiO3 (LAO/STO) interface conductivity, which involves the mechanical gating of interface conductance through stress exerted by the tip of a scanning probe microscope. The mechanical control of channel conductivity and the long retention time of the induced resistance states enable transistor functionality with zero gate voltage. PMID:25860855

  20. Strain dynamics during La2O3/Lu2O3 superlattice and alloy formation

    NASA Astrophysics Data System (ADS)

    Proessdorf, André; Niehle, Michael; Grosse, Frank; Rodenbach, Peter; Hanke, Michael; Trampert, Achim

    2016-06-01

    The dynamics of strain relaxation and intermixing during molecular beam epitaxy of La2O3 and Lu2O3 superlattices and alloys consisting of both binaries on Si(111) have been studied by real-time in situ grazing incidence x-ray diffraction and high resolution transmission electron microscopy. The presence of both hexagonal and cubic polymorphs of La2O3 influences the epitaxial formation within the superlattice. The process of strain relaxation is closely related to the presence of a (La,Lu)2O3 alloy adopting a cubic symmetry. It is formed by interdiffusion of La and Lu atoms reducing internal lattice mismatch within the superlattice. An interface thickness dominated by interdiffusion regions of about 3 monolayers is determined by high-angle annular dark field scanning transmission electron microscopy.

  1. Universal magnetic behavior the electron-doped SrMnO3 cubic perovskite

    NASA Astrophysics Data System (ADS)

    Kolesnik, S.; Dabrowski, B.; Chmaissem, O.

    2009-03-01

    SrMnO3 is the end member of a widely explored family of colossal magnetoresistive manganites RxSr1-xMnO3 (R=rare earth elements). Low-level R^3+ substitutions change the antiferromagnetic order from G-type in cubic SrMnO3 to C-type in tetragonal RxSr1-xMnO3 through first-order resistive and structural transitions. From the magnetization, transport, and neutron diffraction experiments we observe that a similar change can be induced by B-site substitutions in SrMn1-xMxO3 (M=Ru^5+,Mo^6+) both generating Mn^3+ in the Mn^4+ matrix. For both A-site and B-site substitutions, the N'eel temperature is dependent on the Mn^3+ concentration in a universal way. These observations reveal that the magnetic and electronic properties of low-level substituted SrMnO3 are controlled by the band filling throughout the increasing role of local distortions of Mn^3+O6 octahedra changing from randomly diluted to cooperative character of the entire lattice. Work at NIU was supported by the NSF (DMR-0706610) and at ANL by the U.S. DOE under contract No. DE-AC02-06CH11357.

  2. TES/Aura L2 Ozone (O3) Lite Nadir (TL2O3LN)

    Atmospheric Science Data Center

    2015-08-26

    TES/Aura L2 Ozone (O3) Lite Nadir (TL2O3LN) News:  TES News ... Level:  L2 Instrument:  TES/Aura L2 Ozone Spatial Coverage:  5.3 km nadir Spatial ... OPeNDAP Access:  OPeNDAP Parameters:  Ozone Order Data:  Reverb:   Order Data Guide ...

  3. [Advanced Treatment of Incineration Leachate with O3-BAC and Double O3-BAC].

    PubMed

    Du, An-jing; Fan, Ju-hong; Liu, Rui; Qiu, Song-kai; Wen, Xiao-gang; Chen, Lü-jun

    2015-11-01

    Ozone-biological activated carbon (O3-BAC) process and double O3-BAC process were respectively used for advanced treatment of the biologically treated effluent of incineration leachate, and their pollutant removal performances were compared. The results showed that the double O3-BAC removed 75.9% ± 2.1% of chemical oxygen demand (COD), 78.8% ± 2.9% of UV254 and 96.8% ± 0.9% of color at ozone dosage of 200 mg x L(-1). The treated effluent was with COD of below 100 mg x L(-1) and color of below 40 times, meeting the emission requirements of GB 16889-2008. At the same ozone dosage, however, the O3-BAC removed 68.2% ± 1.3% of COD, 69.7% ± 0.5% of UV254 and 92.5% ± 1.1% of color. The treated effluent was with COD of around 150 mg x L(-1) and color of about 60 times, failing to meet the emission requirements. Namely, ozone of 290 mg x L(-1) was required by O3-BAC in order to achieve similar pollutant removals as those in double O3-BAC at O3 dosage of 200 mg x L(-1). In double O3-BAC at ozone dosage of 200 mg x L(-1), total phosphorus was removed by 63.5% ± 4.4%, and the phosphorus concentration in the effluent was remained 1 mg x L(-1) or less, directly meeting the emission requirement of GB 16889-2008.

  4. Upper limit to magnetism in LaAlO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Fitzsimmons, Michael

    2012-02-01

    In 2004 Ohtomo and Hwang reported unusually high conductivity in LaAlO3 and SrTiO3 bilayer samples. Since then, metallic conduction, superconductivity, magnetism, and coexistence of superconductivity and ferromagnetism have been attributed to LaAlO3/SrTiO3 interfaces. Very recently, two studies have reported large magnetic moments attributed to interfaces from measurement techniques that are unable to distinguish between interfacial and bulk magnetism. Consequently, it is imperative to perform magnetic measurements that by being intrinsically sensitive to interface magnetism are impervious to experimental artifacts suffered by bulk measurements. Using polarized neutron reflectometry, we measured the neutron spin dependent reflectivity from four LaAlO3/SrTiO3 superlattices. Our results indicate the upper limit for the magnetization averaged over the lateral dimensions of the sample induced by an 11 T magnetic field at 1.7 K is less than 2 G. SQUID magnetometry of the neutron superlattice samples sporadically finds an enhanced moment (consistent with past reports), possibly due to experimental artifacts. These observations set important restrictions on theories which imply a strongly enhanced magnetism at the interface between LaAlO3 and SrTiO3. Work performed in collaboration with N.W. Hengartner, S. Singh, M. Zhernenkov (LANL), F.Y. Bruno, J. Santamaria (Universidad Complutense de Madrid), A. Brinkman, M.J.A. Huijben, H. Molegraaf (MESA+ Institute for Nanotechnology), J. de la Venta and Ivan K. Schuller (UCSD). [4pt] Work supported by the Office of Basic Energy Science, U.S. Department of Energy, BES-DMS and DMR under grant DE FG03-87ER-45332. Work at UCM is supported by Consolider Ingenio CSD2009-00013 (IMAGINE), CAM S2009-MAT 1756 (PHAMA) and work at Twente is supported by the Foundation for Fundamental Research on Matter (FOM).

  5. Ionic conduction in the SrTiO3|YSZ|SrTiO3 heterostructure.

    PubMed

    De Souza, R A; Ramadan, A H H

    2013-04-01

    Employing previously published experimental data, we analyse the enhanced conductivity of the heterostructure comprising yttria-stabilised zirconia (YSZ) and SrTiO3. We confirm that the heterostructure's conductivity arises from SrTiO3, and we conclude that it is exclusively ionic below T ∼ 540 K. The calculated excess conductance from space-charge layers is found to be negligible.

  6. [Advanced Treatment of Incineration Leachate with O3-BAC and Double O3-BAC].

    PubMed

    Du, An-jing; Fan, Ju-hong; Liu, Rui; Qiu, Song-kai; Wen, Xiao-gang; Chen, Lü-jun

    2015-11-01

    Ozone-biological activated carbon (O3-BAC) process and double O3-BAC process were respectively used for advanced treatment of the biologically treated effluent of incineration leachate, and their pollutant removal performances were compared. The results showed that the double O3-BAC removed 75.9% ± 2.1% of chemical oxygen demand (COD), 78.8% ± 2.9% of UV254 and 96.8% ± 0.9% of color at ozone dosage of 200 mg x L(-1). The treated effluent was with COD of below 100 mg x L(-1) and color of below 40 times, meeting the emission requirements of GB 16889-2008. At the same ozone dosage, however, the O3-BAC removed 68.2% ± 1.3% of COD, 69.7% ± 0.5% of UV254 and 92.5% ± 1.1% of color. The treated effluent was with COD of around 150 mg x L(-1) and color of about 60 times, failing to meet the emission requirements. Namely, ozone of 290 mg x L(-1) was required by O3-BAC in order to achieve similar pollutant removals as those in double O3-BAC at O3 dosage of 200 mg x L(-1). In double O3-BAC at ozone dosage of 200 mg x L(-1), total phosphorus was removed by 63.5% ± 4.4%, and the phosphorus concentration in the effluent was remained 1 mg x L(-1) or less, directly meeting the emission requirement of GB 16889-2008. PMID:26911003

  7. Epitaxial growth and magnetic properties of ultraviolet transparent Ga2O3/(Ga1-xFex)2O3 multilayer thin films

    NASA Astrophysics Data System (ADS)

    Guo, Daoyou; An, Yuehua; Cui, Wei; Zhi, Yusong; Zhao, Xiaolong; Lei, Ming; Li, Linghong; Li, Peigang; Wu, Zhenping; Tang, Weihua

    2016-04-01

    Multilayer thin films based on the ferromagnetic and ultraviolet transparent semiconductors may be interesting because their magnetic/electronic/photonic properties can be manipulated by the high energy photons. Herein, the Ga2O3/(Ga1-xFex)2O3 multilayer epitaxial thin films were obtained by alternating depositing of wide band gap Ga2O3 layer and Fe ultrathin layer due to inter diffusion between two layers at high temperature using the laser molecular beam epitaxy technique. The multilayer films exhibits a preferred growth orientation of crystal plane, and the crystal lattice expands as Fe replaces Ga site. Fe ions with a mixed valence of Fe2+ and Fe3+ are stratified distributed in the film and exhibit obvious agglomerated areas. The multilayer films only show a sharp absorption edge at about 250 nm, indicating a high transparency for ultraviolet light. What’s more, the Ga2O3/(Ga1-xFex)2O3 multilayer epitaxial thin films also exhibits room temperature ferromagnetism deriving from the Fe doping Ga2O3.

  8. Epitaxial growth and magnetic properties of ultraviolet transparent Ga2O3/(Ga1-xFex)2O3 multilayer thin films.

    PubMed

    Guo, Daoyou; An, Yuehua; Cui, Wei; Zhi, Yusong; Zhao, Xiaolong; Lei, Ming; Li, Linghong; Li, Peigang; Wu, Zhenping; Tang, Weihua

    2016-04-28

    Multilayer thin films based on the ferromagnetic and ultraviolet transparent semiconductors may be interesting because their magnetic/electronic/photonic properties can be manipulated by the high energy photons. Herein, the Ga2O3/(Ga1-xFex)2O3 multilayer epitaxial thin films were obtained by alternating depositing of wide band gap Ga2O3 layer and Fe ultrathin layer due to inter diffusion between two layers at high temperature using the laser molecular beam epitaxy technique. The multilayer films exhibits a preferred growth orientation of crystal plane, and the crystal lattice expands as Fe replaces Ga site. Fe ions with a mixed valence of Fe(2+) and Fe(3+) are stratified distributed in the film and exhibit obvious agglomerated areas. The multilayer films only show a sharp absorption edge at about 250 nm, indicating a high transparency for ultraviolet light. What's more, the Ga2O3/(Ga1-xFex)2O3 multilayer epitaxial thin films also exhibits room temperature ferromagnetism deriving from the Fe doping Ga2O3.

  9. Epitaxial growth and magnetic properties of ultraviolet transparent Ga2O3/(Ga1−xFex)2O3 multilayer thin films

    PubMed Central

    Guo, Daoyou; An, Yuehua; Cui, Wei; Zhi, Yusong; Zhao, Xiaolong; Lei, Ming; Li, Linghong; Li, Peigang; Wu, Zhenping; Tang, Weihua

    2016-01-01

    Multilayer thin films based on the ferromagnetic and ultraviolet transparent semiconductors may be interesting because their magnetic/electronic/photonic properties can be manipulated by the high energy photons. Herein, the Ga2O3/(Ga1−xFex)2O3 multilayer epitaxial thin films were obtained by alternating depositing of wide band gap Ga2O3 layer and Fe ultrathin layer due to inter diffusion between two layers at high temperature using the laser molecular beam epitaxy technique. The multilayer films exhibits a preferred growth orientation of crystal plane, and the crystal lattice expands as Fe replaces Ga site. Fe ions with a mixed valence of Fe2+ and Fe3+ are stratified distributed in the film and exhibit obvious agglomerated areas. The multilayer films only show a sharp absorption edge at about 250 nm, indicating a high transparency for ultraviolet light. What’s more, the Ga2O3/(Ga1−xFex)2O3 multilayer epitaxial thin films also exhibits room temperature ferromagnetism deriving from the Fe doping Ga2O3. PMID:27121446

  10. Nature of weak magnetism in SrTiO3/LaAlO3 multilayers.

    PubMed

    Salman, Z; Ofer, O; Radovic, M; Hao, H; Ben Shalom, M; Chow, K H; Dagan, Y; Hossain, M D; Levy, C D P; Macfarlane, W A; Morris, G M; Patthey, L; Pearson, M R; Saadaoui, H; Schmitt, T; Wang, D; Kiefl, R F

    2012-12-21

    We report the observation of weak magnetism in superlattices of LaAlO(3)/SrTiO(3) using β-detected nuclear magnetic resonance. The spin lattice relaxation rate of ^{8}Li in superlattices with a spacer layers of 8 and 6 unit cells of LaAlO(3) exhibits a strong peak near ~35 K, whereas no such peak is observed in a superlattice with spacer layer thickness of 3 unit cells. We attribute the observed temperature dependence to slowing down of weakly coupled electronic moments at the LaAlO(3)/SrTiO(3) interface. These results show that the magnetism at the interface depends strongly on the thickness of the spacer layer, and that a minimal thickness of ~4-6 unit cells is required for the appearance of magnetism. A simple model is used to determine that the observed relaxation is due to small fluctuating moments (~0.002μ(B)) in the two samples with a larger LaAlO(3) spacer thickness.

  11. ITO-free flexible organic photovoltaics with multilayer MoO3/LiF/MoO3/Ag/MoO3 as the transparent electrode

    NASA Astrophysics Data System (ADS)

    Chen, Shilin; Dai, Yunjie; Zhao, Dewei; Zhang, Hongmei

    2016-05-01

    We present efficient flexible organic photovoltaics (OPVs) with multiple layers of molybdenum oxide (MoO3)/LiF/MoO3/Ag/MoO3 as the transparent electrode, where the thin Ag layer yields high conductivity and the dielectric layer MoO3/LiF/MoO3 has high transparency due to optical interference, leading to improved power conversion efficiency compared with indium tin oxide (ITO) based devices. The MoO3 contacting organic active layer is used as a buffer layer for good hole extraction. Thus, the multilayer MoO3/LiF/MoO3/Ag/MoO3 can improve light transmittance and also facilitate charge carrier extraction. Such an electrode shows excellent mechanical bendability with a 9% reduction of efficiency after 1000 cycles of bending due to the ductile nature of the thin metal layer and dielectric layer used. Our results suggest that the MoO3/LiF/MoO3/Ag/MoO3 multilayer electrode is a promising alternative to ITO as an electrode in OPVs.

  12. Piezoelectric and Dielectric Properties of Multilayered BaTiO3/(Ba,Ca)TiO3/CaTiO3 Thin Films.

    PubMed

    Zhu, Xiao Na; Gao, Ting Ting; Xu, Xing; Liang, Wei Zheng; Lin, Yuan; Chen, Chonglin; Chen, Xiang Ming

    2016-08-31

    Highly oriented multilayered BaTiO3-(Ba,Ca)TiO3-CaTiO3 thin films were fabricated on Nb-doped (001) SrTiO3 (Nb:STO) substrates by pulsed laser deposition. The configurations of multilayered BaTiO3-(Ba,Ca)TiO3-CaTiO3 thin films are designed with the thickness ratio of 1:1:1 and 2:1:1 and total thickness ∼300 nm. Microstructural characterization by X-ray diffraction indicates that the as-deposited thin films are highly c-axis oriented and large in-plane strain is determined in BaTiO3 and CaTiO3 layers. Piezoresponse force microscopy (PFM) studies reveal an intense in-plane polarization component, whereas the out-of-plane shows inferior phase contrast. The optimized combination is found to be the BaTiO3-(Ba0.85Ca0.15)TiO3-CaTiO3 structure with combination ratio 2:1:1, which displays the largest domain switching amplitude under DC electric field, the largest room-temperature dielectric constant ∼646, a small dielectric loss of 0.03, and the largest dielectric tunability of ∼50% at 400 kV/cm. These results suggest that the enhanced dielectric and tunability performance are greatly associated with the large in-plane polarization component and domain switching.

  13. Canopy-level stomatal narrowing in adult Fagus sylvatica under O3 stress - means of preventing enhanced O3 uptake under high O3 exposure?

    PubMed

    Matyssek, R; Baumgarten, M; Hummel, U; Häberle, K-H; Kitao, M; Wieser, G

    2015-01-01

    Spatio-temporally consistent O(3) doses are demonstrated in adult Fagus sylvatica from the Kranzberg Forest free-air fumigation experiment, covering cross-canopy and whole-seasonal scopes through sap flow measurement. Given O(3)-driven closure of stomata, we hypothesized enhanced whole-tree level O(3) influx to be prevented under enhanced O(3) exposure. Although foliage transpiration rate was lowered under twice-ambient O(3) around noon by 30% along with canopy conductance, the hypothesis was falsified, as O(3) influx was raised by 25%. Nevertheless, the twice-ambient/ambient ratio of O(3) uptake was smaller by about 20% than that of O(3) exposure, suggesting stomatal limitation of uptake. The O(3) response was traceable from leaves across branches to the canopy, where peak transpiration rates resembled those of shade rather than sun branches. Rainy/overcast-day and nightly O(3) uptake is quantified and discussed. Whole-seasonal canopy-level validation of modelled with sap flow-derived O(3) flux becomes available in assessing O(3) risk for forest trees.

  14. Piezoelectric and Dielectric Properties of Multilayered BaTiO3/(Ba,Ca)TiO3/CaTiO3 Thin Films.

    PubMed

    Zhu, Xiao Na; Gao, Ting Ting; Xu, Xing; Liang, Wei Zheng; Lin, Yuan; Chen, Chonglin; Chen, Xiang Ming

    2016-08-31

    Highly oriented multilayered BaTiO3-(Ba,Ca)TiO3-CaTiO3 thin films were fabricated on Nb-doped (001) SrTiO3 (Nb:STO) substrates by pulsed laser deposition. The configurations of multilayered BaTiO3-(Ba,Ca)TiO3-CaTiO3 thin films are designed with the thickness ratio of 1:1:1 and 2:1:1 and total thickness ∼300 nm. Microstructural characterization by X-ray diffraction indicates that the as-deposited thin films are highly c-axis oriented and large in-plane strain is determined in BaTiO3 and CaTiO3 layers. Piezoresponse force microscopy (PFM) studies reveal an intense in-plane polarization component, whereas the out-of-plane shows inferior phase contrast. The optimized combination is found to be the BaTiO3-(Ba0.85Ca0.15)TiO3-CaTiO3 structure with combination ratio 2:1:1, which displays the largest domain switching amplitude under DC electric field, the largest room-temperature dielectric constant ∼646, a small dielectric loss of 0.03, and the largest dielectric tunability of ∼50% at 400 kV/cm. These results suggest that the enhanced dielectric and tunability performance are greatly associated with the large in-plane polarization component and domain switching. PMID:27514235

  15. Elasticity of AlFeO3 and FeAlO3 perovskite and post-perovskite from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Caracas, R.

    2010-10-01

    We use state-of-the-art ab initio calculations based on the generalized gradient approximation of the density functional theory in the planar augmented wavefunction formalism to determine the elastic constants tensor of perovskite and post-perovskite with formulas AlFeO3 and FeAlO3 in which Fe or Al respectively occupy only octahedral sites, for the stable magnetic configurations. The phase transition between perovskite and post-perovskite is associated with a site exchange, during which Fe from the inter-octahedral site in perovskite moves into the octahedral site in post-perovskite. Following this transition path the elastic moduli show positive jumps, considerably larger than for MgSiO3. The phase transition is marked by a positive jump of 0.04 km/s (0.33%) in the velocity of the compressional waves and by a negative jump of -0.15 km/s (-1.87%) in shear wave velocity. We find that the effects of the Mg + Si <=> Al + Fe substitution on the seismic properties of MgSiO3 perovskite and post-perovskite depend on the crystallography of the substitution, namely the position the exchanged cations take in the structure.

  16. Corrosion of soda lime silicate glasses co-doped with Gd2O3 and Y2O3

    NASA Astrophysics Data System (ADS)

    Wang, Mitang; Li, Mei; Cheng, Jinshu; He, Feng; Liu, Zhaogang; Hu, Yanhong

    2014-01-01

    Corrosion behaviors of Gd2O3 and Y2O3 co-doped silicate glasses have been carried out at low reaction progress. The better enhance effect of co-doping with Gd2O3 and Y2O3 on the silicate glass resistance against attacking of neutral and acid media is observed, while the alkaline resistance is Y2O3 > Gd2O3 + Y2O3 > Gd2O3. Moreover, extreme value is also observed in variation of released ions concentration, pH value and mass loss of glass when substituting Y2O3 for Gd2O3.

  17. Catalytic combustion of methane on La1-xCexFeO3 oxides

    NASA Astrophysics Data System (ADS)

    Xiang, Xian-Ping; Zhao, Lei-Hong; Teng, Bo-Tao; Lang, Jia-Jian; Hu, Xin; Li, Tie; Fang, Yi-An; Luo, Meng-Fei; Lin, Jian-Jun

    2013-07-01

    A series of La1-xCexFeO3 (x = 0-0.5) perovskite oxides were prepared by a sol-gel method. X-ray diffraction spectrometer (XRD), BET surface area measurements, scanning electron microscopy (SEM) images, and temperature-programmed reduction (TPR) were used to characterize their physical structures and redox properties. Catalytic methane combustion tests for La1-xCexFeO3 (x = 0-0.5) perovskite oxides show that the activity of LaFeO3 was highly improved due to the introduction of Ce in the A-site of the perovskite catalysts. Among all the catalysts, La0.7Ce0.3FeO3 has the maximum oxidative performance with the corresponding T90 as low as 510 °C. Combining with density functional theory calculation, it was suggested that the electrons of Fe ions increase in La0.875Ce0.125FeO3 due to the introduction of Ce4+ ion, which leads to stronger interactions with adsorbed O2. Correspondingly, the adsorption energy of O2 on La0.875Ce0.125FeO3 increases and the Osbnd O bond is activated. Thus, the Ce doped perovskite has higher oxidative activity than pure LaFeO3.

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

    NASA Astrophysics Data System (ADS)

    Akgenc, Berna; Tasseven, Cetin; Cagin, Tahir

    2015-03-01

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

  19. Turing patterns with O(3) symmetry

    NASA Astrophysics Data System (ADS)

    Callahan, T. K.

    2004-01-01

    We perform an explicit center manifold reduction for the general steady-state bifurcation of a chemical reaction-diffusion system in an arbitrary compact domain. In particular we focus on those systems with two chemical species in domains with O(3) symmetry. We illustrate with the Brusselator on the spherical shell and produce explicit computations of the solution branches and their stabilities for the low l bifurcations. Because of the phenomenon of parameter collapse we can create universal bifurcation diagrams for even l. This work is an extension of that done in [Physica D 132 (1999) 339-362].

  20. Electronic properties of ultrathin GdTiO3 thin films and GdTiO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    Moetakef, Pouya; Jalan, Bharat; Zhang, Jack; Allen, S. James; Stemmer, Susanne

    2011-03-01

    Interfaces between Mott insulators, such as the rare earth titanates, and band insulators, such as SrTiO3, have recently attracted much attention. We report on the transport properties of epitaxial rare earth titanate thin films, GdTiO3, grown by molecular beam epitaxy (MBE) and those of heterostructures with SrTiO3 and GdTiO3. Growth of GdTiO3 was performed by shuttered growth of alternating titanium tetra isopropoxide (TTIP) and Gd fluxes, in the absence of any additional oxygen. We show that to stabilize the GdTiO3 perovskite phase, SrTiO3 buffer layers are needed for growth on perovskite substrates, such as LSAT ((LaAlO3)0.3(Sr2AlTaO6)0.7). The contribution of n-type SrTiO3 buffer layers and that of the SrTiO3/GdTiO3 interfaces to the transport properties are determined by measurements of the electrical resistance and Hall coefficient as a function of temperature and magnetic field.

  1. Synthesis, Structure, and Ethanol Gas Sensing Properties of In2O3 Nanorods Decorated with Bi2O3 Nanoparticles.

    PubMed

    Park, Sunghoon; Kim, Soohyun; Sun, Gun-Joo; Lee, Chongmu

    2015-04-22

    Bi2O3-decorated In2O3 nanorods were synthesized using a one-step process, and their structure, as well as the effects of decoration of In2O3 nanorods with Bi2O3 on the ethanol gas-sensing properties were examined. The multiple networked Bi2O3-decorated In2O3 nanorod sensor showed responses of 171-1774% at ethanol concentrations of 10-200 ppm at 200 °C. The responses of the Bi2O3-decorated In2O3 nanorod sensor were stronger than those of the pristine-In2O3 nanorod sensors by 1.5-4.9 times at the corresponding concentrations. The two sensors exhibited short response times and long recovery times. The optimal Bi concentration in the Bi2O3-decorated In2O3 nanorod sensor and the optimal operation temperature of the sensor were 20% and 200 °C, respectively. The Bi2O3-decorated In2O3 nanorod sensor showed selectivity for ethanol gas over other gases. The origin of the enhanced response, sensing speed, and selectivity for ethanol gas of the Bi2O3-decorated In2O3 nanorod sensor to ethanol gas is discussed.

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

    NASA Astrophysics Data System (ADS)

    Piskunov, Sergei; Eglitis, Roberts I.

    2016-05-01

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

  3. Heterogeneous oxidation of SO2 by O3-aged black carbon and its dithiothreitol oxidative potential.

    PubMed

    Xu, Weiwei; Li, Qian; Shang, Jing; Liu, Jia; Feng, Xiang; Zhu, Tong

    2015-10-01

    Ozone (O3) is an important atmospheric oxidant. Black carbon (BC) particles released into the atmosphere undergo an aging process via O3 oxidation. O3-aged BC particles may change their uptake ability toward trace reducing gases such as SO2 in the atmosphere, leading to different environmental and health effects. In this paper, the heterogeneous reaction process between O3-aged BC and SO2 was explored via in-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Combined with ion chromatography (IC), DRIFTS was used to qualitatively and quantitatively analyze the sulfate product. The results showed that O3-aged BC had stronger SO2 oxidation ability than fresh BC, and the reactive species/sites generated on the surface had an important role in the oxidation of SO2. Relative humidity or 254nm UV (ultraviolet) light illumination enhanced the oxidation uptake of SO2 on O3-aged BC. The oxidation potentials of the BC particles were detected via dithiothreitol (DTT) assay. The DTT activity over BC was decreased in the process of SO2 reduction, with the consumption of oxidative active sites.

  4. Heterogeneous oxidation of SO2 by O3-aged black carbon and its dithiothreitol oxidative potential.

    PubMed

    Xu, Weiwei; Li, Qian; Shang, Jing; Liu, Jia; Feng, Xiang; Zhu, Tong

    2015-10-01

    Ozone (O3) is an important atmospheric oxidant. Black carbon (BC) particles released into the atmosphere undergo an aging process via O3 oxidation. O3-aged BC particles may change their uptake ability toward trace reducing gases such as SO2 in the atmosphere, leading to different environmental and health effects. In this paper, the heterogeneous reaction process between O3-aged BC and SO2 was explored via in-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Combined with ion chromatography (IC), DRIFTS was used to qualitatively and quantitatively analyze the sulfate product. The results showed that O3-aged BC had stronger SO2 oxidation ability than fresh BC, and the reactive species/sites generated on the surface had an important role in the oxidation of SO2. Relative humidity or 254nm UV (ultraviolet) light illumination enhanced the oxidation uptake of SO2 on O3-aged BC. The oxidation potentials of the BC particles were detected via dithiothreitol (DTT) assay. The DTT activity over BC was decreased in the process of SO2 reduction, with the consumption of oxidative active sites. PMID:26456606

  5. Switchable Induced Polarization in LaAlO3/SrTiO3 Heterostructures

    SciTech Connect

    Bark, C; Sharma, P.; Wang, Y.; Baek, Seung Hyub; Lee, S.; Ryu, S.; Folkman, C H; Paudel, Tula R; Kumar, Amit; Kalinin, Sergei V; Sokolov, A.; Tsymbal, E Y; Rzchowski, M; Gruverman, Alexei; Eom, Professor Chang-Beom

    2012-01-01

    Demonstration of a tunable conductivity of the LaAlO3/SrTiO3 interfaces drew significant attention to the development of oxide electronic structures where electronic confinement can be reduced to the nanometer range. While the mechanisms for the conductivity modulation are quite different and include metal insulator phase transition and surface charge writing, generally it is implied that this effect is a result of electrical modification of the LaAlO3 surface (either due to electrochemical dissociation of surface adsorbates or free charge deposition) leading to the change in the twodimensional electron gas (2DEG) density at the LaAlO3/SrTiO3 (LAO/STO) interface. In this paper, using piezoresponse force microscopy we demonstrate a switchable electromechanical response of the LAO overlayer, which we attribute to the motion of oxygen vacancies through the LAO layer thickness. These electrically induced reversible changes in bulk stoichiometry of the LAO layer are a signature of a possible additional mechanism for nanoscale oxide 2DEG control on LAO/STO interfaces.

  6. Structural and Magnetic Properties of LaCoO3/SrTiO3 Multilayers.

    PubMed

    Zhang, Hongrui; Zhang, Jing; Yang, Huaiwen; Lan, Qianqian; Hong, Deshun; Wang, Shufang; Shen, Xi; Khan, Tahira; Yu, Richeng; Sun, Jirong; Shen, Baogen

    2016-07-20

    Structural and magnetic properties of the LaCoO3/SrTiO3 (LCO/STO) multilayers (MLs) with a fixed STO layer of 4 nm but varied LCO layer thicknesses have been systematically studied. The MLs grown on Sr0.7La0.3Al0.65Ta0.35O3 (LSAT) and SrTiO3 (STO) exhibit the in-plane lattice constant of the substrates, but those on LaAlO3 (LAO) show the in-plane lattice constant between those of the first two kinds of MLs. Compared with the LCO single layer (SL), the magnetic order of the MLs is significantly enhanced, as demonstrated by a very slow decrease, which is fast for the SL, of the Curie temperature and the saturation magnetization as the LCO layer thickness decreases. For example, clear ferromagnetic order is observed in the ML with the LCO layer of ∼1.5 nm, whereas it vanishes below ∼6 nm for the LCO SL. This result is consistent with the observation that the dark stripes, which are believed to be closely related to the magnetic order, remain clear in the MLs while they are vague in the corresponding LCO SL. The present work suggests a novel route to tune the magnetism of perovskite oxide films. PMID:27377147

  7. Tensile Behavior of Al2o3/feal + B and Al2o3/fecraly Composites

    NASA Technical Reports Server (NTRS)

    Draper, S. L.; Eldridge, J. I.; Aiken, B. J. M.

    1995-01-01

    The feasibility of Al2O3/FeAl + B and Al2O3/FeCrAlY composites for high-temperature applications was assessed. The major emphasis was on tensile behavior of both the monolithics and composites from 298 to 1100 K. However, the study also included determining the chemical compatibility of the composites, measuring the interfacial shear strengths, and investigating the effect of processing on the strength of the single-crystal Al2O3 fibers. The interfacial shear strengths were low for Al203/FeAl + B and moderate to high for Al203/FeCrAlY. The difference in interfacial bond strengths between the two systems affected the tensile behavior of the composites. The strength of the Al203 fiber was significantly degraded after composite processing for both composite systems and resulted in poor composite tensile properties. The ultimate tensile strength (UTS) values of the composites could generally be predicted with either rule of mixtures (ROM) calculations or existing models when using the strength of the etched-out fiber. The Al2O3/FeAl + B composite system was determined to be unfeasible due to poor interfacial shear strengths and a large mismatch in coefficient of thermal expansion (CTE). Development of the Al2O3/FeCrAlY system would require an effective diffusion barrier to minimize the fiber strength degradation during processing and elevated temperature service.

  8. Switchable induced polarization in LaAlO3/SrTiO3 heterostructures.

    PubMed

    Bark, C W; Sharma, P; Wang, Y; Baek, S H; Lee, S; Ryu, S; Folkman, C M; Paudel, T R; Kumar, A; Kalinin, S V; Sokolov, A; Tsymbal, E Y; Rzchowski, M S; Gruverman, A; Eom, C B

    2012-04-11

    Demonstration of a tunable conductivity of the LaAlO(3)/SrTiO(3) interfaces drew significant attention to the development of oxide electronic structures where electronic confinement can be reduced to the nanometer range. While the mechanisms for the conductivity modulation are quite different and include metal-insulator phase transition and surface charge writing, generally it is implied that this effect is a result of electrical modification of the LaAlO(3) surface (either due to electrochemical dissociation of surface adsorbates or free charge deposition) leading to the change in the two-dimensional electron gas (2DEG) density at the LaAlO(3)/SrTiO(3) (LAO/STO) interface. In this paper, using piezoresponse force microscopy we demonstrate a switchable electromechanical response of the LAO overlayer, which we attribute to the motion of oxygen vacancies through the LAO layer thickness. These electrically induced reversible changes in bulk stoichiometry of the LAO layer are a signature of a possible additional mechanism for nanoscale oxide 2DEG control on LAO/STO interfaces. PMID:22400486

  9. Metal-insulator transitions in LaTiO3 / CaTiO3 superlattices

    NASA Astrophysics Data System (ADS)

    Seo, Sung Seok A.; Lee, Ho Nyung

    2010-03-01

    Strongly correlated electrons at an interface of complex oxide heterostructures often show interesting behaviors that require an introduction of new physical concepts. For example, the metallic transport behavior found in the superlattices of a Mott insulator LaTiO3 and a band insulator SrTiO3 (STO) has established the concept of interfacial electronic reconstruction. In this work, we have studied the transport property of a new type of Mott/band insulator LaTiO3/CaTiO3 (LTO/CTO) superlattices grown by pulsed laser deposition (PLD). In order to rule out concerns about the PLD plume-triggered oxygen vacancies generated in STO substrates, which might influence transport measurement, and to investigate the effect of epitaxial strain, we have used insulating NdGaO3 substrates. While both LTO and CTO single films are highly insulating, we have observed intriguing metal-insulator transitions (MIT) in the LTO/CTO superlattices depending on the global LTO/CTO thickness ratio and temperature. (Note that LTO/STO superlattices are metallic at all temperatures (2-300 K)). In this talk, we will discuss the origin of the MIT in the scheme of self compensation mechanism of d-electrons at the hetero-interface between LTO and CTO.

  10. Development of a statistical model to identify spatial and meteorological drivers of elevated O3 in Nevada and its application to other rural mountainous regions.

    PubMed

    Fine, Rebekka; Miller, Matthieu B; Gustin, Mae Sexauer

    2015-10-15

    Measurements of O3 at relatively remote monitoring sites are useful for quantifying baseline O3, and subsequently the magnitude of O3 not controllable by local regulations. As the National Ambient Air Quality Standard (NAAQS) for O3 becomes more stringent, there is an increased need to quantify baseline O3 particularly in the Western US, where regional and global sources can significantly enhance O3 measured at surface sites, yielding baseline mixing ratios approaching or exceeding the NAAQS threshold. Past work has indicated that meteorological conditions as well as site specific spatial characteristics (e.g. elevation, basin size, gradient) are significantly correlated with O3 intercepted at rural monitoring sites. Here, we use 3 years of measurements from sites throughout rural Nevada to develop a categorical tree model to identify spatial and meteorological characteristics that are associated with elevated baseline O3. Data from other sites in the Intermountain Western US are used to test the applicability of the model for sites throughout the region. Our analyses indicate that increased elevation and basin size were associated with increased frequency of elevated O3. On a daily time scale, relative humidity had the strongest association with observed MDA8 O3. Seventy-four percent of MDA8 O3 observations>60 ppbv occurred when daily minimum relative humidity was <15%. Further, we found that including ancillary pollutant data did not improve the predictive accuracy for measurements >60 ppbv whereas including upper air meteorological measurements improved the accuracy of predicting periods when O3 was >60 ppbv. These findings indicate that transport, rather than local production, influences O3 measurements in Nevada, and that high elevation sites in rural Nevada, are representative of baseline conditions in the Intermountain Western US. PMID:25895623

  11. 2D-MoO3 nanosheets for superior gas sensors.

    PubMed

    Ji, Fangxu; Ren, Xianpei; Zheng, Xiaoyao; Liu, Yucheng; Pang, Liuqing; Jiang, Jiaxing; Liu, Shengzhong Frank

    2016-04-28

    By taking advantages of both grinding and sonication, an effective exfoliation process is developed to prepare two-dimensional (2D) molybdenum oxide (MoO3) nanosheets. The approach avoids high-boiling-point solvents that would leave a residue and cause aggregation. Gas sensors fabricated using the 2D-MoO3 nanosheets provide a significantly enhanced chemical sensor performance. Compared with the sensors using bulk MoO3, the response of the 2D-MoO3 sensor increases from 7 to 33; the sensor response time is reduced from 27 to 21 seconds, and the recovery time is shortened from 26 to 10 seconds. We attribute the superior performance to the 2D-structure with a much increased surface area and reactive sites. PMID:27053379

  12. Consequences of Ca multisite occupation for the conducting properties of BaTiO3

    NASA Astrophysics Data System (ADS)

    Zulueta, Y. A.; Dawson, J. A.; Leyet, Y.; Anglada-Rivera, J.; Guerrero, F.; Silva, R. S.; Nguyen, Minh Tho

    2016-11-01

    In combination with the dielectric modulus formalism and theoretical calculations, a newly developed defect incorporation mode, which is a combination of the standard A- and B-site doping mechanisms, is used to explain the conducting properties in 5 mol% Ca-doped BaTiO3. Simulation results for Ca solution energies in the BaTiO3 lattice show that the new oxygen vacancy inducing mixed mode exhibits low defect energies. A reduction in dc conductivity compared with undoped BaTiO3 is witnessed for the incorporation of Ca. The conducting properties of 5 mol% Ca-doped BaTiO3 are analyzed using molecular dynamics and impedance spectroscopy. The ionic conductivity activation energies for each incorporation mode are calculated and good agreement with experimental data for oxygen migration is observed. The likely existence of the proposed defect configuration is also analyzed on the basis of these methods.

  13. 2D-MoO3 nanosheets for superior gas sensors

    NASA Astrophysics Data System (ADS)

    Ji, Fangxu; Ren, Xianpei; Zheng, Xiaoyao; Liu, Yucheng; Pang, Liuqing; Jiang, Jiaxing; Liu, Shengzhong (Frank)

    2016-04-01

    By taking advantages of both grinding and sonication, an effective exfoliation process is developed to prepare two-dimensional (2D) molybdenum oxide (MoO3) nanosheets. The approach avoids high-boiling-point solvents that would leave a residue and cause aggregation. Gas sensors fabricated using the 2D-MoO3 nanosheets provide a significantly enhanced chemical sensor performance. Compared with the sensors using bulk MoO3, the response of the 2D-MoO3 sensor increases from 7 to 33; the sensor response time is reduced from 27 to 21 seconds, and the recovery time is shortened from 26 to 10 seconds. We attribute the superior performance to the 2D-structure with a much increased surface area and reactive sites.By taking advantages of both grinding and sonication, an effective exfoliation process is developed to prepare two-dimensional (2D) molybdenum oxide (MoO3) nanosheets. The approach avoids high-boiling-point solvents that would leave a residue and cause aggregation. Gas sensors fabricated using the 2D-MoO3 nanosheets provide a significantly enhanced chemical sensor performance. Compared with the sensors using bulk MoO3, the response of the 2D-MoO3 sensor increases from 7 to 33; the sensor response time is reduced from 27 to 21 seconds, and the recovery time is shortened from 26 to 10 seconds. We attribute the superior performance to the 2D-structure with a much increased surface area and reactive sites. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00880a

  14. 2DEGs at Perovskite Interfaces between KTaO3 or KNbO3 and Stannates

    PubMed Central

    Fan, Xiaofeng; Zheng, Weitao; Chen, Xin; Singh, David J.

    2014-01-01

    We report density functional studies of electron rich interfaces between KTaO3 or KNbO3 and CaSnO3 or ZnSnO3 and in particular the nature of the interfacial electron gasses that can be formed. We find that depending on the details these may occur on either the transition metal or stannate sides of the interface and in the later case can be shifted away from the interface by ferroelectricity. We also present calculations for bulk KNbO3, KTaO3, CaSnO3, BaSnO3 and ZnSnO3, showing the different transport and optical properties that may be expected on the two sides of such interfaces. The results suggest that these interfaces may display a wide range of behaviors depending on conditions, and in particular the interplay with ferroelectricity suggests that electrical control of these properties may be possible. PMID:24626191

  15. Characterization of gamma-Ga2O3-Al2O3 prepared by solvothermal method and its performance for methane-SCR of NO.

    PubMed

    Nakatani, Tetsu; Watanabe, Tsunenori; Takahashi, Masaru; Miyahara, Yuya; Deguchi, Hiroshi; Iwamoto, Shinji; Kanai, Hiroyoshi; Inoue, Masashi

    2009-06-25

    The gamma-Ga(2)O(3)-Al(2)O(3) mixed oxides with a spinel structure were prepared by the solvothermal reaction of gallium acetylacetonate and aluminum isopropoxide in diethylenetriamine. In the crystal structures of the catalysts obtained by the calcination of these mixed oxides, Ga(3+) and Al(3+) ions preferentially occupied tetrahedral and octahedral sites, respectively. The catalysts with low Ga contents had a unique structure with high surface areas and a concentration gradient of decreasing Ga content from the surface to the bulk. In methane-selective catalytic reduction (SCR) of NO, higher NO conversion to N(2) was attained on the catalyst with high occupation of Ga(3+) ions at tetrahedral sites and Al(3+) ions at octahedral sites. For the gamma-Ga(2)O(3)-Al(2)O(3) mixed oxide with a charged Ga molar content of 0.3 (ST(0.3)), tetrahedral and octahedral sites were solely occupied by Ga(3+) and Al(3+) ions, respectively, and the catalyst exhibited the highest NO conversion to N(2). Therefore, it was concluded that the active site for methane-SCR of NO is tetrahedral Ga(3+) ion and octahedral Al(3+) ion, which are linked to each other. Nitrogen monoxide is adsorbed on the isolated hydroxyl group attached to Al(3+) ions and then oxidized by O(2) yielding surface nitrate species. Tetrahedral Ga(3+) ions work as Lewis acid sites for the activation of methane because of their coordinative unsaturation. The Ga(3+) ions in the gamma-Ga(2)O(3)-Al(2)O(3) catalyst have a redox property, which plays important roles in both the oxidation of NO to surface nitrate species and the activation of methane. The most important factor for this catalyst is that the sites for the formation of surface nitrate species reside next to the methane activation sites, which facilitates the reaction between surface nitrate species and the activated species derived from methane, thus mitigating the consumption of methane by simple combustion with O(2). Therefore, ST(0.3), which has the largest

  16. (100) facets of γ-Al2O3: the active surfaces for alcohol dehydration reactions

    SciTech Connect

    Kwak, Ja Hun; Mei, Donghai; Peden, Charles HF; Rousseau, Roger J.; Szanyi, Janos

    2011-05-01

    Temperature programmed desorption (TPD) of ethanol, and methanol dehydration reaction were studied on γ-Al2O3 in order to identify the catalytic active sites for alcohol dehydration reactions. Two high temperature (> 473 K) desorption features were observed following ethanol adsorption. Samples calcined at T≤473 K displayed a desorption feature in the 523-533 K temperature range, while those calcined at T ≥ 673 K showed a single desorption feature at 498 K. The switch from the high to low temperature ethanol desorption correlated well with the dehydroxylation of the (100) facets of γ-Al2O3 that was predicted at 550 K DFT calculations. Theoretical DFT simulations of the mechanism of dehydration. on clean and hydroxylated γ-Al2O3(100) surfaces, find that a concerted elimination of ethylene from an ethanol molecule chemisorbed at an Al3+ pentacoordinated site is the rate limiting step for catalytic cycle on both surfaces. Furthermore, titration of the pentacoordinate Al3+ sites on the (100) facets of γ-Al2O3 by BaO completely turned off the methanol dehydration reaction activity. These results unambiguously demonstrate that only the (100) facets on γ-Al2O3 are the catalytic active surfaces for alcohol dehydration.

  17. Spin crossovers in iron-bearing MgSiO3 and MgGeO3: Their influence on the post-perovskite transition

    NASA Astrophysics Data System (ADS)

    Shukla, Gaurav; Topsakal, Mehmet; Wentzcovitch, Renata M.

    2015-12-01

    MgGeO3-perovskite is known to be a low-pressure analog of MgSiO3-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigation of spin state changes in Fe-bearing MgGeO3 might help to clarify some aspects of this type of state change in Fe-bearing MgSiO3. Using DFT + U calculations, we have investigated pressure induced spin state changes in Fe2+ and Fe3+ in MgGeO3 perovskite and post-perovskite. Owing to the larger ionic radius of germanium compared to silicon, germanate phases have larger unit cell volume and inter-atomic distances than equivalent silicate phases at same pressures. As a result, all pressure induced state changes in iron occur at higher pressures in germanate phases than in the silicate ones, be it a spin state change or position change of (ferrous) iron in the perovskite A site. We showed that iron state transitions occur at particular average Fe-O bond-length (i.e., ∼2.22(1) Å and ∼1.86(1) Å for Fe2+ and Fe3+ substitutions, respectively) irrespective of mineral composition (silicate or germanate) or exchange-correlation functionals used in the calculation (LDA + Usc or GGA + Usc). Ferrous iron substitution decreases the perovskite to post-perovskite (PPv) transition pressure while coupled ferric iron substitution increases it noticeably.

  18. X-ray absorption spectroscopy study on h-LuFeO3 and h-YbFeO3

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoshan; Cao, Shi; Paudel, Tula; Sinha, Kishan; Jiang, Xuanyuan; Wang, Wenbin; Wang, Jian; Tsymbal, Evgeny; Dowben, Peter

    2015-03-01

    We have studied the unoccupied electronic band structure of the hexagonal ferrites h-LuFeO3 and h-YbFeO3 using the absorption spectroscopy obtained with linearly polarized soft X-ray synchrotron radiation. The shapes of the spectra have been analyzed in terms of the splitting of atomic energy levels in various crystal fields corresponding to the local symmetry of the different atomic sites. Significant hybridization between O-2p and various iron and rare earth orbitals (such as Fe-3d, Lu/Yb-5d and Yb-4f) have been observed. The spectral weight contributions to the electronic states near the bottom of the conduction band are found to consist of Fe-3d, Lu/Yb-5d, and Yb-4f as relatively narrow bands, as well as a wide O-2p band covering much of the measured energy range. The results are consistent with the density functional theory calculation including onsite-Coulomb repulsion corrections in terms of Hubbard U. The project was supported by SRC-NRI Center under Task ID 2398.001, by NSF through Nebraska MRSEC DMR-0820521, DMR 0747704, and by Nebraska EPSCoR.

  19. Hybrid improper ferroelectricity in SrZrO3/BaZrO3 superlattice.

    PubMed

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

    2016-08-24

    Incipient ferroelectrics, which show a unique dielectric property, arouse tremendous interests due to their potential application in microwave dielectric devices. However, ferroelectric transition in incipient ferroelectrics is suppressed entirely by quantum fluctuation. Here, by means of first-principles calculations, we demonstrate that there exists hybrid improper ferroelectricity in a layered artificial superlattice composed of the incipient ferroelectrics of SrZrO3 and BaZrO3. The hybrid improper ferroelectric polarization stems from oxygen octahedral rotation and coexists with the strain-induced ferroelectric distortion. The coexistence of oxygen octahedral rotation and ferroelectric distortion results in an enhanced polarization in the superlattice. It is further found that the total polarization in the superlattice is mainly contributed by the oxygen octahedral rotation for zero or small strain, whereas the contribution from strain-induced ferroelectric distortion gradually becomes predominant as the strain increases. The phonon dispersion, energy surface and atomic displacements are calculated to shed light on the underlying mechanism of the hybrid improper ferroelectricity in the SrZrO3/BaZrO3 superlattice.

  20. Quantum Oscillations at LaTiO3/SrTiO3 Interfaces

    NASA Astrophysics Data System (ADS)

    Veit, Michael; Suzuki, Yuri

    Emergent metallic behavior at the interface of the Mott insulator LaTiO3 and the band insulator SrTiO3 was observed for the first time more than a decade ago. Since then the metallicity has been explained in terms of charge redistribution at the interface combined with lattice relaxation. However to date, Shubnikov de Haas oscillations have not been reported in this two dimensional metallic system. For ultrathin (3-4 unit cells) LaTiO3 thin films on SrTiO3, we report the observation of Shubnikov-de Haas oscillations whose frequency corresponds to a small Fermi pocket. Surprisingly the oscillation are only observed between 1 and 4 T. Above this range, the quantum limit is reached for this pocket so no more oscillations are observed. A Berry's phase of π is also detected in these oscillations. Additionally a strong in-plane anisotropic magnetoresistance was measured in the heterostructures which, along with the Berry's phase, is attributed to a giant Rashba coupling at the interface. This work is funded by a National Security Science Engineering Faculty Fellowship of the Department of Defense under N00014-15-1-0045.

  1. High Temperature Mechanical Characterization and Analysis of Al2O3 /Al2O3 Composition

    NASA Technical Reports Server (NTRS)

    Gyekenyesi, John Z.; Jaskowiak, Martha H.

    1999-01-01

    Sixteen ply unidirectional zirconia coated single crystal Al2O3 fiber reinforced polycrystalline Al2O3 was tested in uniaxial tension at temperatures to 1400 C in air. Fiber volume fractions ranged from 26 to 31%. The matrix has primarily open porosity of approximately 40%. Theories for predicting the Young's modulus, first matrix cracking stress, and ultimate strength were applied and evaluated for suitability in predicting the mechanical behavior of Al2O3/Al2O3 composites. The composite exhibited pseudo tough behavior (increased area under the stress/strain curve relative to monolithic alumina) from 22 to 1400 C. The rule-of-mixtures provides a good estimate of the Young's modulus of the composite using the constituent properties from room temperature to approximately 1200 C for short term static tensile tests in air. The ACK theory provides the best approximation of the first matrix cracking stress while accounting for residual stresses at room temperature. Difficulties in determining the fiber/matrix interfacial shear stress at high temperatures prevented the accurate prediction of the first matrix cracking stress above room temperature. The theory of Cao and Thouless, based on Weibull statistics, gave the best prediction for the composite ultimate tensile strength.

  2. Hybrid improper ferroelectricity in SrZrO3/BaZrO3 superlattice.

    PubMed

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

    2016-08-24

    Incipient ferroelectrics, which show a unique dielectric property, arouse tremendous interests due to their potential application in microwave dielectric devices. However, ferroelectric transition in incipient ferroelectrics is suppressed entirely by quantum fluctuation. Here, by means of first-principles calculations, we demonstrate that there exists hybrid improper ferroelectricity in a layered artificial superlattice composed of the incipient ferroelectrics of SrZrO3 and BaZrO3. The hybrid improper ferroelectric polarization stems from oxygen octahedral rotation and coexists with the strain-induced ferroelectric distortion. The coexistence of oxygen octahedral rotation and ferroelectric distortion results in an enhanced polarization in the superlattice. It is further found that the total polarization in the superlattice is mainly contributed by the oxygen octahedral rotation for zero or small strain, whereas the contribution from strain-induced ferroelectric distortion gradually becomes predominant as the strain increases. The phonon dispersion, energy surface and atomic displacements are calculated to shed light on the underlying mechanism of the hybrid improper ferroelectricity in the SrZrO3/BaZrO3 superlattice. PMID:27523881

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  4. 26 CFR 301.6501(o)-3 - Partnership items.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 18 2010-04-01 2010-04-01 false Partnership items. 301.6501(o)-3 Section 301.6501(o)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) PROCEDURE... § 301.6501(o)-3 Partnership items. (a) Partnership item defined. For purposes of section 6501(o) (as...

  5. Carrier-Controlled Ferromagnetism in SrTiO3

    DOE PAGES

    Moetakef, Pouya; Williams, James R.; Ouellette, Daniel G.; Kajdos, Adam P.; Goldhaber-Gordon, David; Allen, S. James; Stemmer, Susanne

    2012-06-27

    Magnetotransport and superconducting properties are investigated for uniformly La-doped SrTiO3 films and GdTiO3/SrTiO3 heterostructures, respectively. GdTiO3/SrTiO3 interfaces exhibit a high-density 2D electron gas on the SrTiO3 side of the interface, while, for the SrTiO3 films, carriers are provided by the dopant atoms. Both types of samples exhibit ferromagnetism at low temperatures, as evidenced by a hysteresis in the magnetoresistance. For the uniformly doped SrTiO3 films, the Curie temperature is found to increase with doping and to coexist with superconductivity for carrier concentrations on the high-density side of the superconducting dome. The Curie temperature of the GdTiO3/SrTiO3 heterostructures scales with themore » thickness of the SrTiO3 quantum well. The results are used to construct a stability diagram for the ferromagnetic and superconducting phases of SrTiO3.« less

  6. Comparative angle-resolved photoemission spectroscopy study of CaRuO3 and SrRuO3 thin films: Pronounced spectral weight transfer and possible precursor of lower Hubbard band

    NASA Astrophysics Data System (ADS)

    Yang, H. F.; Fan, C. C.; Liu, Z. T.; Yao, Q.; Li, M. Y.; Liu, J. S.; Jiang, M. H.; Shen, D. W.

    2016-09-01

    In the prototypical 4 d system (Sr ,Ca ) RuO3 , the degree and origin of electron correlations, and how they correlate with physical properties, still remain elusive, though extensive studies have been performed. In this work we present a comparative electronic structure study of high-quality epitaxial CaRuO3 and SrRuO3 thin films, by means of reactive molecular beam epitaxy and in situ angle-resolved photoemission spectroscopy. We found that while SrRuO3 possesses sharp features signaling the Fermi liquid state, the isostructural CaRuO3 exhibits broad features and its spectral weight is markedly transferred from the Fermi level to -1.2 eV forming a "hump" structure which resembles the Mott-Hubbard system (Sr ,Ca ) VO3 . We suggest that this hump is the precursor of the lower Hubbard band, and the U /W (U and W represent the on-site Coulomb interactions and bandwidth, respectively) of our CaRuO3 thin film is much larger than that of SrRuO3. In addition, we discuss the origin of electron correlations as well as the ferromagnetism in SrRuO3 which is absent in CaRuO3. Our findings put constraints on future studies, and also show that perovskite ruthenates are indeed an experimentally tunable system for the study of electron correlations.

  7. Structure-Curie temperature relationships in BaTiO3-based ferroelectric perovskites: Anomalous behavior of (Ba ,Cd )TiO3 from DFT, statistical inference, and experiments

    NASA Astrophysics Data System (ADS)

    Balachandran, Prasanna V.; Xue, Dezhen; Lookman, Turab

    2016-04-01

    One of the key impediments to the development of BaTiO3-based materials as candidates to replace toxic-Pb-based solid solutions is their relatively low ferroelectric Curie temperature (TC). Among many potential routes that are available to modify TC, ionic substitutions at the Ba and Ti sites remain the most common approach. Here, we perform density functional theory (DFT) calculations on a series of A TiO3 and Ba B O3 perovskites, where A =Ba , Ca, Sr, Pb, Cd, Sn, and Mg and B =Ti , Zr, Hf, and Sn. Our objective is to study the relative role of A and B cations in impacting the TC of the tetragonal (P 4 m m ) and rhombohedral (R 3 m ) ferroelectric phases in BaTiO3-based solid solutions, respectively. Using symmetry-mode analysis, we obtain a quantitative description of the relative contributions of various divalent (A ) and tetravalent (B ) cations to the ferroelectric distortions. Our results show that Ca, Pb, Cd, Sn, and Mg have large mode amplitudes for ferroelectric distortion in the tetragonal phase relative to Ba, whereas Sr suppresses the distortions. On the other hand, Zr, Hf, and Sn tetravalent cations severely suppress the ferroelectric distortion in the rhombohedral phase relative to Ti. In addition to symmetry modes, our calculated unit-cell volume also agrees with the experimental trends. We subsequently utilize the symmetry modes and unit-cell volumes as features within a machine learning approach to learn TC via an inference model and uncover trends that provide insights into the design of new high-TCBaTiO3 -based ferroelectrics. The inference model predicts CdTiO3-BaTiO3 solid solutions to have a higher TC and, therefore, we experimentally synthesized these solid solutions and measured their TC. Although the calculated mode strength for CdTiO3 in the tetragonal phase is even larger than that for PbTiO3, the TC of CdTiO3-BaTiO3 solid solutions in the tetragonal phase does not show any appreciable enhancement. Thus, CdTiO3-BaTiO3 does not follow the

  8. Doping induced modification in polyhedral tilt in hexagonal Ho1-xYxMnO3

    NASA Astrophysics Data System (ADS)

    Kaushik, S. D.; Rayaprol, S.

    2012-06-01

    We have studied the effect of systematic doping of Y at Ho site on the crystal structure of hexagonal HoMnO3 We have carried out room temperature neutron diffraction (ND) study on Ho1-xYxMnO3 (x = 0, 0.25, 0.50, 0.75), and by analyzing this ND data we have determined the cell parameters, Mn-O bond length, O-Mn-O bond angle. The variation in certain M-O bond length and O-Mn-O bond angles has been understood in terms of modifications in tilt of the MnO5 polyhedra due to Ho site Y doping in hexagonal HoMnO3.

  9. Molecular beam epitaxy deposition of Gd2O3 thin films on SrTiO3 (100) substrate

    NASA Astrophysics Data System (ADS)

    Wang, Jinxing; Hao, Jinghua; Zhang, Yangyang; Wei, Hongmei; Mu, Juyi

    2016-06-01

    Gd2O3 thin films are grown on the SrTiO3 (100) substrate by molecular beam epitaxy (MBE) deposition. X-ray diffraction (XRD) analysis, conventional transmission electron microscopy (TEM) and aberration-corrected scanning transmission electron microscopy (STEM) are performed to investigate the microstructure of deposited thin films. It is found that the as-deposited thin film possesses a very uniform thickness of ∼40 nm and is composed of single cubic phase Gd2O3 grains. STEM and TEM observations reveal that Gd2O3 thin film grows epitaxially on the SrTiO3 (100) substrate with (001)Gd2O3//(100)STO and [110]Gd2O3//[001]STO orientations. Furthermore, the Gd atoms are found to diffuse into the SrTiO3 substrate for a depth of one unit cell and substitute for the Sr atoms near the interface.

  10. Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites

    NASA Astrophysics Data System (ADS)

    Abbad, A.; Benstaali, W.; Bentounes, H. A.; Bentata, S.; Benmalem, Y.

    2016-02-01

    The full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory within the GGA and GGA+U, is used to investigate the structural, magnetic and half-metallic properties of the Pnma orthorhombic Cerium orthoferrite (CeFeO3) and Cerium orthochromite (CeCrO3). The calculated densities of states presented in this study identify the metallic behavior CeFeO3 when we use the GGA scheme, whereas when we use the GGA+U, we see that its exhibits half-metallic character with an integer magnetic moment of 24 μB per formula unit at its equilibrium volume. CeCrO3 is half-metallic for both approaches and of n type conductivity for GGA but p type conductivity for GGA+U. It is found that the majority of the magnetic moments of both compounds originate from the cerium sites since the f states of Ce are spin polarized. From the band structure and the densities of states analysis, we find that CeCrO3 and CeFeO3 are strong candidates for spintronic applications.

  11. Sodium ion diffusion in Al2O3: a distinct perspective compared with lithium ion diffusion.

    PubMed

    Jung, Sung Chul; Kim, Hyung-Jin; Choi, Jang Wook; Han, Young-Kyu

    2014-11-12

    Surface coating of active materials has been one of the most effective strategies to mitigate undesirable side reactions and thereby improve the overall battery performance. In this direction, aluminum oxide (Al2O3) is one of the most widely adopted coating materials due to its easy synthesis and low material cost. Nevertheless, the effect of Al2O3 coating on carrier ion diffusion has been investigated mainly for Li ion batteries, and the corresponding understanding for emerging Na ion batteries is currently missing. Using ab initio molecular dynamics calculations, herein, we first find that, unlike lithiation, sodiation of Al2O3 is thermodynamically unfavorable. Nonetheless, there can still exist a threshold in the Na ion content in Al2O3 before further diffusion into the adjacent active material, delivering a new insight that both thermodynamics and kinetics should be taken into account to describe ionic diffusion in any material media. Furthermore, Na ion diffusivity in NaxAl2O3 turns out to be much higher than Li ion diffusivity in LixAl2O3, a result opposite to the conventional stereotype based on the atomic radius consideration. While hopping between the O-rich trapping sites via an Na-O bond breaking/making process is identified as the main Na ion diffusion mechanism, the weaker Na-O bond strength than the Li-O counterpart turns out to be the origin of the superior diffusivity of Na ions.

  12. Effect of Elevated CO2, O3, and UV Radiation on Soils

    PubMed Central

    Rejšek, Klement; Vranová, Valerie

    2014-01-01

    In this work, we have attempted to review the current knowledge on the impact of elevated CO2, O3, and UV on soils. Elevated CO2 increases labile and stabile soil C pool as well as efficiency of organic pollutants rhizoremediation and phytoextraction of heavy metals. Conversely, both elevated O3 and UV radiation decrease inputs of assimilates to the rhizosphere being accompanied by inhibitory effects on decomposition processes, rhizoremediation, and heavy metals phytoextraction efficiency. Contrary to elevated CO2, O3, or UV-B decreases soil microbial biomass, metabolisable C, and soil Nt content leading to higher C/N of soil organic matter. Elevated UV-B radiation shifts soil microbial community and decreases populations of soil meso- and macrofauna via direct effect rather than by induced changes of litter quality and root exudation as in case of elevated CO2 or O3. CO2 enrichment or increased UV-B is hypothesised to stimulate or inhibit both plant and microbial competitiveness for soluble soil N, respectively, whereas O3 favours only microbial competitive efficiency. Understanding the consequences of elevated CO2, O3, and UV radiation for soils, especially those related to fertility, phytotoxins inputs, elements cycling, plant-microbe interactions, and decontamination of polluted sites, presents a knowledge gap for future research. PMID:24688424

  13. Structure versus properties in α-Fe2O3 nanowires and nanoblades

    NASA Astrophysics Data System (ADS)

    Wang, Chao; Wang, Yiqian; Liu, Xuehua; Yang, Huaiwen; Sun, Jirong; Yuan, Lu; Zhou, Guangwen; Rosei, Federico

    2016-01-01

    We report structure/property relationships in bicrystalline α-Fe2O3 nanowires (NWs) and nanoblades (NBs), synthesized by thermal oxidation of iron foils with different surface roughness. The electrical properties of individual nanostructures were studied by in situ transmission electron microscopy. Current-voltage (I-V) measurements using gold electrodes showed that a Schottky contact forms between α-Fe2O3 NWs whereas an ohmic contact forms between α-Fe2O3 NBs. The difference in transport properties is attributed to the existence of oxygen vacancies in the coincidence-site-lattice boundary region of α-Fe2O3 NBs. Magnetic measurements indicate that the temperature-dependent zero-field-cooled magnetization rises more rapidly near the Morin transition temperature for α-Fe2O3 NBs than that for NWs. The distinct magnetic properties of the NBs are ascribed to the enhanced magnetic order induced by the structural order in the two-dimensional NBs. These α-Fe2O3 NBs are promising building blocks for electronic and magnetic devices since their 2D geometries facilitate integration into devices with realistic pathways to manufacturing. In addition, our study shows that boundary engineering is an effective approach for tailoring the physical properties of nanomaterials.

  14. Magnetic Correlations in the Triangular Antiferromagnet TbInO3

    NASA Astrophysics Data System (ADS)

    Sala, Gabriele; Clark, Lucy; Maharaj, Dalini; Stone, Matthew B.; Knight, Kevin S.; Cheong, Sang-Wook; Gaulin, Bruce D.

    TbInO3 crystallizes with a hexagonal P63 cm structure in which layers of edge-sharing triangles of magnetic Tb3+ ions are separated by non-magnetic [InO5]7- units. TbInO3, therefore, realizes an excellent opportunity to explore the behavior of a two-dimensional magnetic triangular lattice, a canonical model of geometric frustration. Here we present our study of a polycrystalline sample of TbInO3. Our high resolution powder neutron diffraction data (HRPD, ISIS) of TbInO3 confirm that the triangular layers of Tb3+ remain undistorted to at least 0 . 46 K. Magnetic susceptibility data follow Curie-Weiss behavior over a wide range of T with θ = - 17 . 19 (3) K indicating the dominance of antiferromagnetic correlations. The susceptibility data also show an absence of conventional long-range spin order down to at least 0 . 55 K, reflecting the frustrated nature of TbInO3. Elastic magnetic diffuse neutron scattering (SEQUOIA, SNS) is observed below ~ 15 K, due to the presence of static two-dimensional spin correlations. The spectrum of crystal field excitations in TbInO3 appears to have an exotic form due to the existence of two crystallographically distinct Tb3+ sites and leads to a strong Ising anisotropy of the spin symmetry.

  15. True composition and structure of hexagonal "YAlO3", actually Y3Al3O8CO3.

    PubMed

    Li, Jun; Smith, Andrew E; Jiang, Peng; Stalick, Judith K; Sleight, Arthur W; Subramanian, M A

    2015-02-01

    The discovery of a brilliant-blue color upon the introduction of Mn(3+) to the trigonal-bipyramidal (TBP) sites in YInO(3) has led to a search for other hosts for Mn(3+) in TBP coordination. An obvious choice would be YAlO(3). This compound, which has only been prepared through a citrate precursor route, has long been considered isostructural with YInO(3). However, Mn(3+) substitutions into YAlO(3) have failed to produce a product with the anticipated color. We find that the hexagonal structure for YAlO(3) with Al in TBP coordination proposed in 1963 cannot be correct based on its unit cell dimensions and bond-valence sums. Our studies indicate instead that all, or nearly all, of the Al in this compound has a coordination number (CN) of 6. Upon heating in air, this compound transforms to YAlO(3), with the perovskite structure liberating CO(2). The compound long assumed to be a hexagonal form of YAlO(3) is actually an oxycarbonate with the ideal composition Y(3)Al(3)O(8)CO(3). The structure of this compound has been characterized by powder neutron and X-ray diffraction data obtained as a function of temperature, magic-angle-spinning (27)Al NMR, Fourier transform infrared, and transmission electron microscopy. Refinement of neutron diffraction data indicates a composition of Y(3)Al(3)O(8)CO(3). We find that the hexagonal structures of YGaO(3) and YFeO(3) from the citrate route are also stabilized by small amounts of carbonate. Surprisingly, Y(3)Al(3)O(8)CO(3) forms a complete solid solution with YBO(3) having tetrahedral borate groups. Other unlikely solid solutions were prepared in the YAlO(3)-YMnO(3), YAlO(3)-YFeO(3), YAlO(3)-YBO(3), YBO(3)-YMnO(3), YBO(3)-YFeO(3), and YBO(3)-YGaO(3) systems.

  16. Al atom on MoO3(010) surface: adsorption and penetration using density functional theory.

    PubMed

    Wu, Hong-Zhang; Bandaru, Sateesh; Wang, Da; Liu, Jin; Lau, Woon Ming; Wang, Zhenling; Li, Li-Li

    2016-03-14

    Interfacial issues, such as the interfacial structure and the interdiffusion of atoms at the interface, are fundamental to the understanding of the ignition and reaction mechanisms of nanothermites. This study employs first-principle density functional theory to model Al/MoO3 by placing an Al adatom onto a unit cell of a MoO3(010) slab, and to probe the initiation of interfacial interactions of Al/MoO3 nanothermite by tracking the adsorption and subsurface-penetration of the Al adatom. The calculations show that the Al adatom can spontaneously go through the topmost atomic plane (TAP) of MoO3(010) and reach the 4-fold hollow adsorption-site located below the TAP, with this subsurface adsorption configuration being the most preferred one among all plausible adsorption configurations. Two other plausible configurations place the Al adatom at two bridge sites located above the TAP of MoO3(010) but the Al adatom can easily penetrate below this TAP to a relatively more stable adsorption configuration, with a small energy barrier of merely 0.2 eV. The evidence of subsurface penetration of Al implies that Al/MoO3 likely has an interface with intermixing of Al, Mo and O atoms. These results provide new insights on the interfacial interactions of Al/MoO3 and the ignition/combustion mechanisms of Al/MoO3 nanothermites.

  17. Density functional theory study of acetaldehyde hydrodeoxygenation on MoO3

    SciTech Connect

    Mei, Donghai; Karim, Ayman M.; Wang, Yong

    2011-04-06

    Periodic spin-polarized density functional theory calculations were performed to investigate acetaldehyde (CH3CHO) hydrodeoxygenation on the reduced molybdenum trioxide (MoO3) surface. The perfect O-terminated α-MoO3(010) surface is reduced to generate an oxygen defect site in the presence of H2. H2 dissociatively adsorbs at the surface oxygen sites forming two surface hydroxyls, which can recombine into a water molecule weakly bound at the Mo site. A terminal oxygen (Ot) defect site thus forms after water desorption. CH3CHO adsorbs at the O-deficient Mo site via either the sole O-Mo bond or the O-Mo and the C-O double bonds. The possible reaction pathways of the adsorbed CH3CHO with these two configurations were thoroughly examined using the dimer searching method. Our results show that the ideal deoxygenation of CH3CHO leading to ethylene (C2H4) on the reduced MoO3(010) surface is feasible. The adsorbed CH3CHO first dehydrogenate into CH2CHO by reacting with a neighboring terminal Ot. The hydroxyl (OtH) then hydrogenates CH2CHO into CH2CH2O to complete the hydrogen transfer cycle with an activation barrier of 1.39 eV. The direct hydrogen transfer from CH3CHO to CH2CH2O is unlikely due to the high barrier of 2.00 eV. The produced CH2CH2O readily decomposes into C2H4 that directly releases to the gas phase, and regenerates the Ot atom on the Mo site. As a result, the reduced MoO3(010) surface is reoxidized to the perfect MoO3(010) surface after CH3CHO deoxygenation. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  18. The Molar Volume of FeO-MgO-Fe2O3-Cr2O3-Al2O3-TiO2 Spinels

    NASA Astrophysics Data System (ADS)

    Hamecher, E. A.; Antoshechkina, P. M.; Ghiorso, M. S.; Asimow, P. D.

    2011-12-01

    will include some minor components, including Ti4+ and Cr3+. Because most constraints on the activity of garnet and pyroxene at high-P are derived from experiments with coexisting spinel, we must be confident in the ability of our spinel model to realistically reproduce thermodynamic behavior over all applicable compositions. Additionally, producing a spinel molar volume model calibrated with recent in situ high-P, T diffraction data is crucial to our ability to accurately model the spinel-garnet transition in Earth's upper mantle. For example, we recently calibrated Cr-Al exchange equilibria for garnet and spinel. When this new calibration is used with the current MELTS model, a region of garnet-spinel coexistence in lherzolites is predicted with width in pressure comparable to experimental constraints. The transition occurs, however, at the unexpectedly low pressure of ~1.7 GPa. The improved model of spinel molar volume presented here, along with a new garnet molar volume model in the system FeO-MgO-CaO-Fe2O3-Cr2O3-Al2O3-TiO2-Na2O-SiO2 currently being calibrated, will enable coupled recalibration of the garnet and pyroxene models to match both the absolute pressure and width of this key transition in mantle lithology.

  19. LaAlO3 stoichiometry is key to electron liquid formation at LaAlO3/SrTiO3 interfaces.

    PubMed

    Warusawithana, M P; Richter, C; Mundy, J A; Roy, P; Ludwig, J; Paetel, S; Heeg, T; Pawlicki, A A; Kourkoutis, L F; Zheng, M; Lee, M; Mulcahy, B; Zander, W; Zhu, Y; Schubert, J; Eckstein, J N; Muller, D A; Hellberg, C Stephen; Mannhart, J; Schlom, D G

    2013-01-01

    Emergent phenomena, including superconductivity and magnetism, found in the two-dimensional electron liquid (2-DEL) at the interface between the insulators lanthanum aluminate (LaAlO3) and strontium titanate (SrTiO3) distinguish this rich system from conventional 2D electron gases at compound semiconductor interfaces. The origin of this 2-DEL, however, is highly debated, with focus on the role of defects in the SrTiO3, while the LaAlO3 has been assumed perfect. Here we demonstrate, through experiments and first-principle calculations, that the cation stoichiometry of the nominal LaAlO3 layer is key to 2-DEL formation: only Al-rich LaAlO3 results in a 2-DEL. Although extrinsic defects, including oxygen deficiency, are known to render LaAlO3/SrTiO3 samples conducting, our results show that in the absence of such extrinsic defects an interface 2-DEL can form. Its origin is consistent with an intrinsic electronic reconstruction occurring to counteract a polarization catastrophe. This work provides insight for identifying other interfaces where emergent behaviours await discovery.

  20. LaAlO3 stoichiometry is key to electron liquid formation at LaAlO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    Warusawithana, M. P.; Richter, C.; Mundy, J. A.; Roy, P.; Ludwig, J.; Paetel, S.; Heeg, T.; Pawlicki, A. A.; Kourkoutis, L. F.; Zheng, M.; Lee, M.; Mulcahy, B.; Zander, W.; Zhu, Y.; Schubert, J.; Eckstein, J. N.; Muller, D. A.; Hellberg, C. Stephen; Mannhart, J.; Schlom, D. G.

    2013-08-01

    Emergent phenomena, including superconductivity and magnetism, found in the two-dimensional electron liquid (2-DEL) at the interface between the insulators lanthanum aluminate (LaAlO3) and strontium titanate (SrTiO3) distinguish this rich system from conventional 2D electron gases at compound semiconductor interfaces. The origin of this 2-DEL, however, is highly debated, with focus on the role of defects in the SrTiO3, while the LaAlO3 has been assumed perfect. Here we demonstrate, through experiments and first-principle calculations, that the cation stoichiometry of the nominal LaAlO3 layer is key to 2-DEL formation: only Al-rich LaAlO3 results in a 2-DEL. Although extrinsic defects, including oxygen deficiency, are known to render LaAlO3/SrTiO3 samples conducting, our results show that in the absence of such extrinsic defects an interface 2-DEL can form. Its origin is consistent with an intrinsic electronic reconstruction occurring to counteract a polarization catastrophe. This work provides insight for identifying other interfaces where emergent behaviours await discovery.

  1. Unusual ferromagnetic YMnO3 phase in YMnO3/La2 / 3Sr1 / 3MnO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Autieri, Carmine; Sanyal, Biplab

    2014-11-01

    By means of first-principles density functional calculations, we study the structural, magnetic and electronic properties of YMnO3/L{{a}2/3}S{{r}1/3}MnO3 heterostructures. Although in the bulk the ground state of YMnO3 is an antiferromagnet, the YMnO3/L{{a}2/3}S{{r}1/3}MnO3 heterostructure stabilizes the ferromagnetic (FM) phase in YMnO3 in the interface region over a wide range of Coulomb repulsion parameters. The hypothetical FM phase of bulk YMnO3 is dielectric and due to substantial differences between the lattice constants in the ab plane, a strong magnetocrystalline anisotropy is present. This anisotropy produces a high coercivity of the unusual FM YMnO3 that can explain the large vertical shift in the hysteresis loops observed in recent experiments (Paul et al 2014 J. Appl. Crystallogr. 47 1054). The correlation between weak exchange bias and the vertical shift is proposed, which calls for reinvestigation of various systems showing vertical shifts.

  2. Electron confinement at the LaAlO3/SrTiO3 interface.

    PubMed

    Gariglio, S; Fête, A; Triscone, J-M

    2015-07-22

    Physical and structural phenomena originating from polar discontinuities have generated enormous activity. In the last ten years, the oxide interface between polar LaAlO(3) and non-polar SrTiO(3), both band insulators, has attracted particular interest, as it hosts an electron liquid with remarkable properties: it superconducts, has a sizeable spin-orbit interaction and its properties are tunable by an electric field. The profile of the carrier density at the interface and the exact band structure are properties strongly linked and still objects of debate. Here we review the experimental findings on the origin and the extension of the electron liquid and discuss the theoretical models developed to describe the charge profile and the band structure. We also introduce a model to account for the effect of interface disorder which could modify the charge distribution.

  3. Negative Capacitance in BaTiO3/BiFeO3 Bilayer Capacitors.

    PubMed

    Hou, Ya-Fei; Li, Wei-Li; Zhang, Tian-Dong; Yu, Yang; Han, Ren-Lu; Fei, Wei-Dong

    2016-08-31

    Negative capacitances provide an approach to reduce heat generations in field-effect transistors during the switch processes, which contributes to further miniaturization of the conventional integrated circuits. Although there are many studies about negative capacitances using ferroelectric materials, the direct observation of stable ferroelectric negative capacitances has rarely been reported. Here, we put forward a dc bias assistant model in bilayer capacitors, where one ferroelectric layer with large dielectric constant and the other ferroelectric layer with small dielectric constant are needed. Negative capacitances can be obtained when external dc bias electric fields are larger than a critical value. Based on the model, BaTiO3/BiFeO3 bilayer capacitors are chosen as study objects, and negative capacitances are observed directly. Additionally, the upward self-polarization effect in the ferroelectric layer reduces the critical electric field, which may provide a method for realizing zero and/or small dc bias assistant negative capacitances.

  4. High Curie temperature BiInO3-PbTiO3 films

    PubMed Central

    Lee, Sun Young; Wang, Wei; Trolier-McKinstry, Susan

    2014-01-01

    High Curie temperature piezoelectric thin films of xBiInO3-(1-x)PbTiO3 (x = 0.10, 0.15, 0.20, and 0.25) were prepared by pulsed laser deposition. It was found that the tetragonality of films decreased with increasing BI content. The dielectric constant and transverse piezoelectric coefficient (e31,f) exhibit the highest values of 665 and −13.6 C/m2 at x = 0.20. Rayleigh analyses were performed to identify the extrinsic contributions to dielectric nonlinearity with different x. The composition with x = 0.20 also exhibits the largest extrinsic contributions to dielectric nonlinearity. The Curie temperature (TC) is increased with increasing x content from 558 to 633 °C; TC at x = 0.20 is about 584 °C. PMID:25316952

  5. Negative Capacitance in BaTiO3/BiFeO3 Bilayer Capacitors.

    PubMed

    Hou, Ya-Fei; Li, Wei-Li; Zhang, Tian-Dong; Yu, Yang; Han, Ren-Lu; Fei, Wei-Dong

    2016-08-31

    Negative capacitances provide an approach to reduce heat generations in field-effect transistors during the switch processes, which contributes to further miniaturization of the conventional integrated circuits. Although there are many studies about negative capacitances using ferroelectric materials, the direct observation of stable ferroelectric negative capacitances has rarely been reported. Here, we put forward a dc bias assistant model in bilayer capacitors, where one ferroelectric layer with large dielectric constant and the other ferroelectric layer with small dielectric constant are needed. Negative capacitances can be obtained when external dc bias electric fields are larger than a critical value. Based on the model, BaTiO3/BiFeO3 bilayer capacitors are chosen as study objects, and negative capacitances are observed directly. Additionally, the upward self-polarization effect in the ferroelectric layer reduces the critical electric field, which may provide a method for realizing zero and/or small dc bias assistant negative capacitances. PMID:27502999

  6. High Curie temperature BiInO3-PbTiO3 films.

    PubMed

    Lee, Sun Young; Wang, Wei; Trolier-McKinstry, Susan

    2014-06-14

    High Curie temperaturepiezoelectricthin films of xBiInO3-(1-x)PbTiO3 (x = 0.10, 0.15, 0.20, and 0.25) were prepared by pulsed laser deposition. It was found that the tetragonality of films decreased with increasing BI content. The dielectric constant and transverse piezoelectric coefficient (e31 ,f ) exhibit the highest values of 665 and -13.6 C/m(2) at x = 0.20. Rayleigh analyses were performed to identify the extrinsic contributions to dielectric nonlinearity with different x. The composition with x = 0.20 also exhibits the largest extrinsic contributions to dielectric nonlinearity. The Curie temperature (TC ) is increased with increasing x content from 558 to 633 °C; TC at x = 0.20 is about 584 °C. PMID:25316952

  7. High Curie temperature BiInO3-PbTiO3 films.

    PubMed

    Lee, Sun Young; Wang, Wei; Trolier-McKinstry, Susan

    2014-06-14

    High Curie temperaturepiezoelectricthin films of xBiInO3-(1-x)PbTiO3 (x = 0.10, 0.15, 0.20, and 0.25) were prepared by pulsed laser deposition. It was found that the tetragonality of films decreased with increasing BI content. The dielectric constant and transverse piezoelectric coefficient (e31,f ) exhibit the highest values of 665 and -13.6 C/m(2) at x = 0.20. Rayleigh analyses were performed to identify the extrinsic contributions to dielectric nonlinearity with different x. The composition with x = 0.20 also exhibits the largest extrinsic contributions to dielectric nonlinearity. The Curie temperature (TC ) is increased with increasing x content from 558 to 633 °C; TC at x = 0.20 is about 584 °C.

  8. Influence of non-magnetic and magnetic ions on the MagnetoCaloric properties of La0.7Sr0.3Mn0.9M0.1O3 doped in the Mn sites by M=Cr, Sn, Ti

    NASA Astrophysics Data System (ADS)

    Arayedh, Brahim; Kallel, Sami; Kallel, Nabil; Peña, Octavio

    2014-06-01

    We have studied the MagnetoCaloric Effect (MCE) in La0.7Sr0.3Mn0.9M0.1O3, M=Cr, Sn and Ti, prepared by a conventional solid state reaction. The temperature dependence of magnetization reveals that all compositions exhibit a ferromagnetic (FM) to paramagnetic (PM) transition at TC temperatures of 369, 326, 228 and 210 K, respectively for La0.7Sr0.3MnO3 (LSMO), La0.7Sr0.3Mn0.9Cr0.1O3 (LSMO-Cr), La0.7Sr0.3Mn0.9Sn0.1O3 (LSMO-Sn), and La0.7Sr0.3Mn0.9Ti0.1O3 (LSMO-Ti). Using Arrott plots, the phase transition from FM to PM is found to be of second order. The maximum magnetic entropy change (-ΔSM), at the applied magnetic field of 2 T, is found to be 1.27, 1.76, 0.47 and 1.45 J kg-1 K-1, respectively for LSMO, LSMO-Cr, LSMO-Sn and LSMO-Ti. The relative cooling power (RCP) for LSMO-Cr, LSMO-Sn and LSMO-Ti is in the order of 50%, 26% and 71%, respectively, compared to gadolinium (Gd). As a result, the LSMO-Cr and LSMO-Ti compounds can be considered as promising materials in magnetic refrigeration technology.

  9. Polaronic metal state at the LaAlO3/SrTiO3 interface

    PubMed Central

    Cancellieri, C.; Mishchenko, A. S.; Aschauer, U.; Filippetti, A.; Faber, C.; Barišić, O. S.; Rogalev, V. A.; Schmitt, T.; Nagaosa, N.; Strocov, V. N.

    2016-01-01

    Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures. PMID:26813124

  10. Polaronic metal state at the LaAlO3/SrTiO3 interface.

    PubMed

    Cancellieri, C; Mishchenko, A S; Aschauer, U; Filippetti, A; Faber, C; Barišić, O S; Rogalev, V A; Schmitt, T; Nagaosa, N; Strocov, V N

    2016-01-27

    Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The paradigm example is the interface between the two band insulators LaAlO3 and SrTiO3 that hosts a two-dimensional electron system. Apart from the mobile charge carriers, this system exhibits a range of intriguing properties such as field effect, superconductivity and ferromagnetism, whose fundamental origins are still debated. Here we use soft-X-ray angle-resolved photoelectron spectroscopy to penetrate through the LaAlO3 overlayer and access charge carriers at the buried interface. The experimental spectral function directly identifies the interface charge carriers as large polarons, emerging from coupling of charge and lattice degrees of freedom, and involving two phonons of different energy and thermal activity. This phenomenon fundamentally limits the carrier mobility and explains its puzzling drop at high temperatures.

  11. Towards electrical spin injection into LaAlO3-SrTiO3.

    PubMed

    Bibes, M; Reyren, N; Lesne, E; George, J-M; Deranlot, C; Collin, S; Barthélémy, A; Jaffrès, H

    2012-10-28

    Future spintronics devices will be built from elemental blocks allowing the electrical injection, propagation, manipulation and detection of spin-based information. Owing to their remarkable multi-functional and strongly correlated character, oxide materials already provide such building blocks for charge-based devices such as ferroelectric field-effect transistors (FETs), as well as for spin-based two-terminal devices such as magnetic tunnel junctions, with giant responses in both cases. Until now, the lack of suitable channel materials and the uncertainty of spin-injection conditions in these compounds had however prevented the exploration of similar giant responses in oxide-based lateral spin transport structures. In this paper, we discuss the potential of oxide-based spin FETs and report magnetotransport data that suggest electrical spin injection into the LaAlO(3)-SrTiO(3) interface system. In a local, three-terminal measurement scheme, we analyse the voltage variation associated with the precession of the injected spin accumulation driven by perpendicular or longitudinal magnetic fields (Hanle and 'inverted' Hanle effects). The spin accumulation signal appears to be much larger than expected, probably owing to amplification effects by resonant tunnelling through localized states in the LaAlO(3). We give perspectives on how to achieve direct spin injection with increased detection efficiency, as well on the implementation of efficient top gating schemes for spin manipulation. PMID:22987038

  12. Polarization Rotation in Ferroelectric Tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 Superlattices.

    PubMed

    Lemée, Nathalie; Infante, Ingrid C; Hubault, Cécile; Boulle, Alexandre; Blanc, Nils; Boudet, Nathalie; Demange, Valérie; Karkut, Michael G

    2015-09-16

    In ferroelectric thin films, controlling the orientation of the polarization is a key element to controlling their physical properties. We use laboratory and synchrotron X-ray diffraction to investigate ferroelectric bicolor PbTiO3/PbZr0.2Ti0.8O3 and tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 superlattices and to study the role of the SrTiO3 layers on the domain structure. In the tricolor superlattices, we demonstrate the existence of 180° ferroelectric stripe nanodomains, induced by the depolarization field produced by the SrTiO3 layers. Each ultrathin SrTiO3 layer modifies the electrostatic boundary conditions between the ferroelectric layers compared to the corresponding bicolor structures, leading to the suppression of the a/c polydomain states. Combined with the electrostatic effect, the tensile strain induced by PbZr0.2Ti0.8O3 in the PbTiO3 layers leads to polarization rotation in the system as evidenced by grazing incidence X-ray measurements. This polarization rotation is associated with the monoclinic Mc phase as revealed by the splitting of the (HHL) and (H0L) reciprocal lattice points. This work demonstrates that the tricolor paraelectric/ferroelectric superlattices constitute a tunable system to investigate the concomitant effects of strains and depolarizing fields. Our studies provide a pathway to stabilize a monoclinic symmetry in ferroelectric layers, which is of particular interest for the enhancement of the piezoelectric properties.

  13. Optical properties of LFZ grown β-Ga2O3:Eu3+ fibres

    NASA Astrophysics Data System (ADS)

    Santos, N. F.; Rodrigues, J.; Fernandes, A. J. S.; Alves, L. C.; Alves, E.; Costa, F. M.; Monteiro, T.

    2012-09-01

    Due to their relevance for electronic and optoelectronic applications, transparent conductive oxides (TCO) have been extensively studied in the last decades. Among them, monoclinic β-Ga2O3 is well known by its large direct bandgap of ˜4.9 eV being considered a deep UV TCO suitable for operation in short wavelength optoelectronic devices. The wide bandgap of β-Ga2O3 is also appropriate for the incorporation of several electronic energy levels such as those associated with the intra-4fn configuration of rare earth ions. Among these, Eu3+ ions (4f6) are widely used as a red emitting probes both in organic and inorganic compounds. In this work, undoped and Eu2O3 doped (0.1 and 3.0 mol%) Ga2O3 crystalline fibres were grown by the laser floating zone approach. All fibres were found to stabilize in the monoclinic β-Ga2O3 structure while for the heavily doped fibres the X-ray diffraction patterns show, in addition a cubic europium gallium garnet phase, Eu3Ga5O12. The spectroscopic properties of the undoped and Eu doped fibres were analysed by Raman spectroscopy, low temperature photoluminescence (PL) and photoluminescence excitation (PLE). The Eu3+ luminescence is mainly originated in the garnet, from where different europium site locations can be inferred. The spectral analysis indicates that at least one of the centres corresponds to Eu3+ ions in dodecahedral site symmetry. For the lightly doped samples, the spectral shape and intensity ratio of the 5D0 → 7FJ transitions is totally different from those on Eu3Ga5O12, suggesting that the emitting ions are placed in low symmetry sites in the β-Ga2O3 host.

  14. Study on Viscosity of the La2O3-SiO2-Al2O3 Slag System

    NASA Astrophysics Data System (ADS)

    Deng, Yong-chun; Wu, Sheng-li; Jiang, Yin-ju; Jia, Su-qi

    2016-08-01

    The viscosities and free-running temperatures of slag in a La2O3-SiO2-Al2O3 slag system were measured using an internal rotating cylinder method. For different La2O3 mass contents (45, 50, and 55 pct) in the La2O3-SiO2-Al2O3 ternary slag, the slag viscosity and free-running temperature decreased with a decrease in SiO2 content and an increase in Al2O3 content, and decreased with an increase in La2O3 content. Minor components B2O3, FeO, and MnO could decrease the viscosity and free-running temperature of La2O3-SiO2-Al2O3 ternary slag, especially FeO, and a small amount of FeO and B2O3 had an additive effect on slag viscosity and free-running temperature reduction.

  15. Interfacial Control of Magnetic Properties at LaMnO3/LaNiO3 Interface

    NASA Astrophysics Data System (ADS)

    Gibert, Marta; Viret, Michel; Torres-Pardo, Almudena; Piamonteze, Cinthia; Zubko, Pavlo; Jaouen, Nicolas; Tonnerre, Jean-Marc; Mougin, Alexandra; Fowlie, Jennifer; Catalano, Sara; Gloter, Alexandre; Stéphan, Odile; Triscone, Jean-Marc

    The functional properties of oxide heterostructures ultimately rely on how the electronic and structural mismatches occurring at interfaces are accommodated by the chosen materials combination. We discuss here LaMnO3/LaNiO3 heterostructures, which display an intrinsic interface structural asymmetry depending on the growth sequence with the LaMnO3-on-LaNiO3 interface being sharper than the LaNiO3-on-LaMnO3 one, which exhibits 2-3 unit cells intermixing. Using a variety of synchrotron-based techniques, we show that the degree of intermixing at the monolayer scale allows interface-driven properties such as charge transfer and the induced magnetic moment in the nickelate layer to be controlled. Further, our results demonstrate that the magnetic state of strained LaMnO3 thin films dramatically depends on interface reconstructions.

  16. Trends in (LaMnO3)n/(SrTiO3)m superlattices with varying layer thicknesses

    PubMed Central

    Jilili, J.; Cossu, F.; Schwingenschlögl, U.

    2015-01-01

    We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO3)n/(SrTiO3)m (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO3, strongly distorted O octahedra are observed in the SrTiO3 layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO3 and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO3 and SrTiO3 layer thicknesses originates from modifications of the Ti dxy states. PMID:26323361

  17. Variability of O3 and NO2 Profile Shapes during DISCOVER-AQ July 2011

    NASA Astrophysics Data System (ADS)

    Flynn, C.; Pickering, K. E.; Lamsal, L. N.; Herman, J. R.; Weinheimer, A. J.; Chen, G.; Liu, X.; Loughner, C.; Thompson, A. M.

    2014-12-01

    The first deployment of the NASA Earth Venture -1 DISCOVER-AQ (Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality) project was conducted during July 2011 in the Baltimore-Washington region. The P-3B aircraft provided in situ vertical profiles of meteorological quantities, trace gases, and aerosols over six Maryland Department of the Environment (MDE) air quality monitoring sites over fourteen flight days. Additionally, two sites launched ozonesondes and operated tethersondes during the campaign, supplementing the P-3B profiles. A major goal of DISCOVER-AQ is to understand the processes linking column abundances to surface concentrations for O3 and NO2, which includes understanding the variability of the in situ O3 and NO2 profile shapes used to compute the lower tropospheric column abundances. In support of this goal, a hierarchical cluster analysis was performed for the O3 and NO2 P-3B and sonde profiles for the Maryland 2011 campaign, allowing classes of profile shapes to be identified at each surface site. These classes were related to differences in vertical mixing, as indicated by profiles of potential temperature, CO, and short-lived trace gas species, as well as the impact of the bay breeze at one site. Such an analysis of profile variability will also be useful to assess the representativeness of the assumed profile shapes used in satellite retrievals for O3 and NO2. Further, profile shapes for these species were compared with those from the CMAQ model to assess its performance. Lastly, the average diurnal variation of the O3 and NO2 column abundances over the July 2011 campaign was assessed at each site to elucidate the diurnal cycle for these columns and results were compared to the once-per-day OMI column observations.

  18. Characteristics of Vibrio parahaemolyticus O3:K6 from Asia

    PubMed Central

    Wong, Hin-Chung; Liu, Shu-Hui; Wang, Tien-Kuei; Lee, Chih-Lung; Chiou, Chien-Shun; Liu, Ding-Ping; Nishibuchi, Mitsuaki; Lee, Bok-Kwon

    2000-01-01

    A variety of serovars of the food-borne pathogen Vibrio parahaemolyticus normally cause infection. Since 1996, the O3:K6 strains of this pathogen have caused pandemics in many Asian countries, including Taiwan. For a better understanding of these pandemic strains, the recently isolated clinical O3:K6 strains from India, Japan, Korea, and Taiwan were examined in terms of pulsed-field gel electrophoresis (PFGE) typing and other biological characteristics. After PFGE and cluster analysis, all the O3:K6 strains were grouped into two unrelated groups. The recently isolated O3:K6 strains were all in one group, consisting of eight closely related patterns, with I1(81%) and I5(13%) being the most frequent patterns. Pattern I1 was the major one for strains from Japan, Korea, and Taiwan. All recently isolated O3:K6 strains carried the thermostable direct hemolysin (tdh) gene. No significant difference was observed between recently isolated O3:K6 strains and either non-O3:K6 reference strains or old O3:K6 strains isolated before 1996 with respect to antibiotic susceptibility, the level of thermostable direct hemolysin, and the susceptibility to environmental stresses. Results in this study confirmed that the recently isolated O3:K6 strains of V. parahaemolyticus are genetically close to each other, while the other biological traits examined were usually strain dependent, and no unique trait was found in the recently isolated O3:K6 strains. PMID:10966418

  19. Structure evolution of nanoparticulate Fe2O3.

    PubMed

    Erlebach, Andreas; Kurland, Heinz-Dieter; Grabow, Janet; Müller, Frank A; Sierka, Marek

    2015-02-21

    The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure optimizations at the density functional theory level, molecular dynamics simulations by employing tailored, ab initio parameterized interatomic potential functions and experiments. With the exception of nearly tetrahedral, adamantane-like (Fe2O3)2 small (Fe2O3)n clusters assume compact, virtually amorphous structures with little or no symmetry. For n = 2-5 (Fe2O3)n clusters consist mainly of two- and three-membered Fe-O rings. Starting from n = 5 they increasingly assume tetrahedral shape with the adamantane-like (Fe2O3)2 unit as the main building block. However, the small energy differences between different isomers of the same cluster-size make precise structural assignment for larger (Fe2O3)n clusters difficult. The tetrahedral morphology persists for Fe2O3 nanoparticles with up to 3 nm in diameter. Simulated crystallization of larger nanoparticles with diameters of about 5 nm demonstrates pronounced melting point depression and leads to formation of ε-Fe2O3 single crystals with hexagonal morphology. This finding is in excellent agreement with the results obtained for Fe2O3 nanopowders generated by laser vaporization and provides the first direct indication that ε-Fe2O3 may be thermodynamically the most stable phase in this size regime. PMID:25587689

  20. X-ray photoelectron spectroscopy and luminescent properties of Y2O3:Bi3+ phosphor

    NASA Astrophysics Data System (ADS)

    Jafer, R. M.; Coetsee, E.; Yousif, A.; Kroon, R. E.; Ntwaeaborwa, O. M.; Swart, H. C.

    2015-03-01

    X-ray photoelectron spectroscopy (XPS) results provided proof for the blue and green emission of Bi3+ in the Y2O3:Bi3+ phosphor. The Y2O3:Bi3+ phosphor was successfully prepared by the combustion process during the investigation of down-conversion materials for Si solar cell application. The X-ray diffraction (XRD) patterns indicated that a single-phase cubic crystal structure with the Ia3 space group was formed. X-ray photoelectron spectroscopy (XPS) showed that the Bi3+ ion replaces the Y3+ ion in two different coordination sites in the Y2O3 crystal structure. The O 1s peak shows five peaks, two which correlate with the O2- ion in Y2O3 in the two different sites, two which correlate with O2- in Bi2O3 in the two different sites and the remaining peak relates to hydroxide. The Y 3d spectrum shows two peaks for the Y3+ ion in the Y2O3 structure in two different sites and the Bi 4f spectrum shows the Bi3+ ion in the two different sites in Bi2O3. The photoluminescence (PL) results showed three broad emission bands in the blue and green regions under ultraviolet excitation, which were also present for panchromatic cathodoluminescence (CL) results. These three peaks have maxima at ∼3.4, 3.0 and 2.5 eV. The PL emission ∼3.0 eV (blue emission) showed two excitation bands centered at ∼3.7 and 3.4 eV while the PL emission at ∼2.5 eV (green emission) showed a broad excitation band from ∼4 to 3.4 eV. The panchromatic CL images were obtained for selected wavelengths at (2.99 ± 0.08) eV (for blue emission) and (2.34 ± 0.06) eV (for green emission). These luminescence results correlate with the XPS results that show that there are two different Bi3+ sites in the host lattice.

  1. Interstitial and substitutional Zr in SrTiO3

    NASA Astrophysics Data System (ADS)

    Jaffe, John; van Ginhoven, Renee; Jiang, Weilin

    2011-03-01

    We investigate Zr in SrTi O3 (STO) as an electronic dopant and as a model for nuclear waste forms in which radioactive Sr decays to Y and then to stable Zr through beta emission. Density functional theory (DFT) within the supercell model is used to predict the thermodynamic stability and electronic states of interstitial and Sr- or Ti-substituted Zr atoms in the STO lattice. Native point defects such as vacancies and antisites are also considered. When Zr replaces Sr, its most stable configuration is to simply occupy the Sr site (instead of, for example, replacing a Ti and displacing the Ti to the Sr site.) For Zr added to the lattice, its most stable configuration is to replace a Ti, making a Zr Ti impurity plus a Ti interstitial (as opposed to the Zr just remaining as an interstitial atom.) Zr Sr is predicted to be a double electron donor, Zr Ti is electrically inactive and interstitial Zr and Ti are predicted to be quadruple donors, with all donor levels in the conduction band. Zr Sr and the tetravalent interstitials are all predicted to increase the crystal volume, and the interstitials also are predicted to lead to a tetragonal distortion of the lattice. Experiments with injection of Zr atoms into STO qualitatively confirm these predictions of crystal structural changes. Supported by U.S. Department of Energy Waste Form Campaign.

  2. Dipole defects in Al2O3:Mg,Cr.

    PubMed

    Blak, A R; Gobbi, V; Ayres, F

    2002-01-01

    In this work, dipole defects are investigated applying the thermally stimulated depolarisation currents (TSDC) technique. The TSDC spectra of Al2O3 doped with Mg and Cr show two bands centred at 230 K and 250 K, respectively. The maximum intensity of the bands increases linearly with the polarisation field, a typical behaviour of defects with dipole origin. An increase of the band at 250 K with gamma irradiation has been observed and a thermal decrease of the bands for heat treatments between 1000 K and 1400 K. Above this temperature the bands are partially recovered. Impurity neutron activation analysis shows that magnesium. chromium and iron content varies from 15 to 60 ppm. Optical absorption (AO) measurements show a broad band centred in 2.6 eV (21000 cm(-1)) associated with trapped holes localised on an O- ion adjacent to a cation site which is deficient in positive charge. It has been assumed that a substitutional Mg2+ ion occupies the cation site near a trapped hole on one of the six oxygen ions surrounding the magnesium impurity giving rise to the dipole responsible for the observed TSDC bands. Calculations carried out through defect simulation methods confirm that the probability of Al3+ being replaced by Mg2+ is higher than Mn2+, Co2+, Fe2+ and Cr2+. PMID:12382829

  3. Regional and Local Influences on Surface O3 over Beijing: Constraints from Integrated Surface observations and Modeling

    NASA Astrophysics Data System (ADS)

    Wang, Y.; McElroy, M. B.; Munger, W.; Hao, J.; Ma, H.; Chen, Y.

    2007-05-01

    Beijing, the Chinese capital, faces the challenge of improving its atmospheric environment while seeing an annual growth rate of 15% in the number of personal vehicles on the road. Among many pollutants, surface ozone is of particular concern for Beijing as it will host the "green" Olympics Games in summer 2008. Continuous measurements of surface O3 and CO at Miyun (a rural site 50km northeast of Beijing) in 2006 are analyzed using a 3-dimensional chemical transport model (GEOS-Chem) to improve our understanding of regional and local factors contributing to changes in tropospheric O3 in the Beijing area. The location of the site was selected to sample both clean continental air and pollution included in the plume from Beijing. To our knowledge, this is the first station in mainland China providing continuous measurements of O3 and related species (CO and CO2) over a relatively long period (years). Observations show that O3 peaks in June and September, while CO has a broad maximum in winter. Using updated emissions for China, the model successfully reproduces the seasonal variability in O3, CO, and their correlations observed at Miyun. Regional O3 levels representative of north China are identified from observations using concurrent measurements of CO. Events with daytime peak O3 concentrations exceeding 100 ppb were observed mainly in summer (JJA) and in September. A major discrepancy of the model is an overestimate of O3 in July. Observations show a decrease of 16 ppb in mean (median) O3 from June to July, presumably associated with enhanced precipitation and cloudiness in July. Implications of high levels of O3 for crop production will be discussed.

  4. Increased phytotoxic O3 dose accelerates autumn senescence in an O3-sensitive beech forest even under the present-level O3

    PubMed Central

    Kitao, Mitsutoshi; Yasuda, Yukio; Kominami, Yuji; Yamanoi, Katsumi; Komatsu, Masabumi; Miyama, Takafumi; Mizoguchi, Yasuko; Kitaoka, Satoshi; Yazaki, Kenichi; Tobita, Hiroyuki; Yoshimura, Kenichi; Koike, Takayoshi; Izuta, Takeshi

    2016-01-01

    Ground-level ozone (O3) concentrations are expected to increase over the 21st century, especially in East Asia. However, the impact of O3 has not been directly assessed at the forest level in this region. We performed O3 flux-based risk assessments of carbon sequestration capacity in an old cool temperate deciduous forest, consisting of O3-sensitive Japanese beech (Fagus crenata), and in a warm temperate deciduous and evergreen forest dominated by O3-tolerant Konara oak (Quercus serrata) based on long-term CO2 flux observations. On the basis of a practical approach for a continuous estimation of canopy-level stomatal conductance (Gs), higher phytotoxic ozone dose above a threshold of 0 uptake (POD0) with higher Gs was observed in the beech forest than that in the oak forest. Light-saturated gross primary production, as a measure of carbon sequestration capacity of forest ecosystem, declined earlier in the late growth season with increasing POD0, suggesting an earlier autumn senescence, especially in the O3-sensitive beech forest, but not in the O3-tolerant oak forest. PMID:27601188

  5. Phase Structure, Piezoelectric and Multiferroic Properties of SmCoO3-Modified BiFeO3-BaTiO3 Lead-Free Ceramics

    NASA Astrophysics Data System (ADS)

    Jiang, Na; Tian, Mijie; Luo, Lingling; Zheng, Qiaoji; Shi, Dongliang; Lam, Kwok Ho; Xu, Chenggang; Lin, Dunmin

    2016-01-01

    (0.75- x)BiFeO3-0.25BaTiO3- xSmCoO3 + 1 mol.% MnO2 lead-free multiferroic ceramics were synthesized by a conventional ceramic fabrication technique. The effects of SmCoO3 on phase structure, piezoelectricity and multiferroicity of the ceramics were studied. All the ceramics can be well sintered at a low sintering temperature of 960°C. The crystalline structure of the ceramics is transformed from rhombohedral to tetragonal symmetry with increasing the amount of SmCoO3. A morphotropic phase boundary of rhombohedral and tetragonal phases is formed at x = 0.01-0.04. A small amount of SmCoO3 is shown to improve the ferroelectric, piezoelectric and magnetoelectric properties of the ceramics. For the ceramics with x = 0.01-0.03, enhanced resistivity ( R ˜ 1.2 × 109 Ω cm to 2.1 × 109 Ω cm), piezoelectricity ( d 33 ˜ 65 pC/N to 106 pC/N) and ferroelectricity ( P r ˜ 6.38 μC/cm2 to 22.89 μC/cm2) are obtained. The ferromagnetism of the materials is greatly enhanced by the doping of SmCoO3 such that a very high magnetoelectric coefficient of ˜742 mV/(cm Oe) is obtained at x = 0.01, suggesting a promising potential in multiferroic devices.

  6. Increased phytotoxic O3 dose accelerates autumn senescence in an O3-sensitive beech forest even under the present-level O3.

    PubMed

    Kitao, Mitsutoshi; Yasuda, Yukio; Kominami, Yuji; Yamanoi, Katsumi; Komatsu, Masabumi; Miyama, Takafumi; Mizoguchi, Yasuko; Kitaoka, Satoshi; Yazaki, Kenichi; Tobita, Hiroyuki; Yoshimura, Kenichi; Koike, Takayoshi; Izuta, Takeshi

    2016-01-01

    Ground-level ozone (O3) concentrations are expected to increase over the 21(st) century, especially in East Asia. However, the impact of O3 has not been directly assessed at the forest level in this region. We performed O3 flux-based risk assessments of carbon sequestration capacity in an old cool temperate deciduous forest, consisting of O3-sensitive Japanese beech (Fagus crenata), and in a warm temperate deciduous and evergreen forest dominated by O3-tolerant Konara oak (Quercus serrata) based on long-term CO2 flux observations. On the basis of a practical approach for a continuous estimation of canopy-level stomatal conductance (Gs), higher phytotoxic ozone dose above a threshold of 0 uptake (POD0) with higher Gs was observed in the beech forest than that in the oak forest. Light-saturated gross primary production, as a measure of carbon sequestration capacity of forest ecosystem, declined earlier in the late growth season with increasing POD0, suggesting an earlier autumn senescence, especially in the O3-sensitive beech forest, but not in the O3-tolerant oak forest.

  7. Increased phytotoxic O3 dose accelerates autumn senescence in an O3-sensitive beech forest even under the present-level O3

    NASA Astrophysics Data System (ADS)

    Kitao, Mitsutoshi; Yasuda, Yukio; Kominami, Yuji; Yamanoi, Katsumi; Komatsu, Masabumi; Miyama, Takafumi; Mizoguchi, Yasuko; Kitaoka, Satoshi; Yazaki, Kenichi; Tobita, Hiroyuki; Yoshimura, Kenichi; Koike, Takayoshi; Izuta, Takeshi

    2016-09-01

    Ground-level ozone (O3) concentrations are expected to increase over the 21st century, especially in East Asia. However, the impact of O3 has not been directly assessed at the forest level in this region. We performed O3 flux-based risk assessments of carbon sequestration capacity in an old cool temperate deciduous forest, consisting of O3-sensitive Japanese beech (Fagus crenata), and in a warm temperate deciduous and evergreen forest dominated by O3-tolerant Konara oak (Quercus serrata) based on long-term CO2 flux observations. On the basis of a practical approach for a continuous estimation of canopy-level stomatal conductance (Gs), higher phytotoxic ozone dose above a threshold of 0 uptake (POD0) with higher Gs was observed in the beech forest than that in the oak forest. Light-saturated gross primary production, as a measure of carbon sequestration capacity of forest ecosystem, declined earlier in the late growth season with increasing POD0, suggesting an earlier autumn senescence, especially in the O3-sensitive beech forest, but not in the O3-tolerant oak forest.

  8. Increased phytotoxic O3 dose accelerates autumn senescence in an O3-sensitive beech forest even under the present-level O3.

    PubMed

    Kitao, Mitsutoshi; Yasuda, Yukio; Kominami, Yuji; Yamanoi, Katsumi; Komatsu, Masabumi; Miyama, Takafumi; Mizoguchi, Yasuko; Kitaoka, Satoshi; Yazaki, Kenichi; Tobita, Hiroyuki; Yoshimura, Kenichi; Koike, Takayoshi; Izuta, Takeshi

    2016-01-01

    Ground-level ozone (O3) concentrations are expected to increase over the 21(st) century, especially in East Asia. However, the impact of O3 has not been directly assessed at the forest level in this region. We performed O3 flux-based risk assessments of carbon sequestration capacity in an old cool temperate deciduous forest, consisting of O3-sensitive Japanese beech (Fagus crenata), and in a warm temperate deciduous and evergreen forest dominated by O3-tolerant Konara oak (Quercus serrata) based on long-term CO2 flux observations. On the basis of a practical approach for a continuous estimation of canopy-level stomatal conductance (Gs), higher phytotoxic ozone dose above a threshold of 0 uptake (POD0) with higher Gs was observed in the beech forest than that in the oak forest. Light-saturated gross primary production, as a measure of carbon sequestration capacity of forest ecosystem, declined earlier in the late growth season with increasing POD0, suggesting an earlier autumn senescence, especially in the O3-sensitive beech forest, but not in the O3-tolerant oak forest. PMID:27601188

  9. A statistical approach to estimate O3 uptake of ponderosa pine in a mediterranean climate.

    PubMed

    Grulke, N E; Preisler, H K; Fan, C C; Retzlaff, W A

    2002-01-01

    In highly polluted sites, stomatal behavior is sluggish with respect to light, vapor pressure deficit, and internal CO2 concentration (Ci) and poorly described by existing models. Statistical models were developed to estimate stomatal conductance (gs) of 40-year-old ponderosa pine at three sites differing in pollutant exposure for the purpose of calculating O3 uptake. Gs was estimated using julian day, hour of day, pre-dawn xylem potential and photosynthetic photon flux density (PPFD). The median difference between estimated and observed field gs did not exceed 10 mmol H2O m(-2) s(-1), and estimated gs within 95% confidence intervals. 03 uptake was calculated from hourly estimated gs, hourly O3 concentration, and a constant to correct for the difference in diffusivity between water vapor and 03. The simulation model TREGRO was also used to calculate the cumulative 03 uptake at all three sites. 03 uptake estimated by the statistical model was higher than that simulated by TREGRO because gas exchange rates were proportionally higher. O3 exposure and uptake were significantly correlated (r2>0.92), because O3 exposure and gs were highly correlated in both statistical and simulation models. PMID:12152824

  10. Non-linear Electrical Characteristics of ZnO Modified by Trioxides Sb2O3, Bi2O3, Fe2O3, Al2O3 and La2O3

    NASA Astrophysics Data System (ADS)

    Mekap, Anita; Das, Piyush R.; Choudhary, R. N. P.

    2016-08-01

    The non-linear behavior of polycrystalline-ZnO-based voltage-dependent resistors is considered in the present study. A high-temperature solid-state reaction route was used to synthesize polycrystalline samples of ZnO modified by small amounts of the trioxides Sb2O3, Bi2O3, Fe2O3, etc. in various proportions. X-ray diffraction and scanning electron microscopy techniques were used to study the structural and microstructural characteristics of modified ZnO. Detailed studies of non-linear phenomena of the I-V characteristics, dielectric permittivity ( ɛ r), impedance ( Z), etc. of the samples have provided many interesting results. All the samples exhibited dielectric anomaly. Non-linear variation in polarization with electric field for all the samples was observed. Moreover, significant non-linearity in the I-V characteristics was observed in the breakdown region of all the samples at room temperature. The non-linear coefficient ( α) in different cases, i.e. for I- V, ɛ r- f, ɛ r- T, and ɛ r- Z, was calculated and found to be appreciable. The frequency dependence of ac conductivity suggests that the material obeys Jonscher's universal power law.

  11. Differences in electrophysical and gas sensing properties of flame spray synthesized Fe2O3(gamma-Fe2O3 and alpha-Fe2O3).

    PubMed

    Flak, Dorota; Braun, Artur; Michalow, Katarzyna A; Wyrwa, Jan; Parlinska-Wojtan, Magdalena; Graule, Thomas; Rekas, Mieczyslaw

    2012-08-01

    Nanoscaled Fe2O3 powders as candidates for gas sensing material for hydrogen detection were synthesized by the high temperature flame spray assisted combustion of ferrocene dissolved in benzene. X-ray diffraction (XRD) and selected area electron diffraction (SAED) show that the as prepared nanopowder consists of maghemite (gamma-Fe2O3) with low crystallinity. Thermal post-treatment causes a phase transformation towards hematite (alpha-Fe2O3) accompanied by an increase in the crystallinity. Upon exposure to air and hydrogen at elevated temperatures, both phases show a significant variation of conductivity and activation energy-as evidenced by impedance spectra-and thus a favorable sensor response, surpassing even that of flame-synthesized nanocrystalline tin dioxide. The conductivity has been identified as of electronic origin, affected by trap states located in the region adjacent to grain boundaries. Quantitative analysis of the impedance spectra with equivalent circuits shows that the conductivity is thermally activated and affected by the interaction of hydrogen with the sensor material. The calculated Debye screening length of gamma-Fe2O3 and alpha-Fe2O3 is about 27 nm and 16 nm, respectively, what contributes significantly to the sensitivity of the material. Gamma-Fe2O3 and alpha-Fe2O3 exhibit high sensor response towards hydrogen in a wide concentration range. Gamma-Fe2O3 shows n-type semiconducting behavior up to 573 K. Alpha-Fe2O3 shows p-type semiconducting behavior, as reflected in the dynamic changes of the resistivity. For both sensor materials, 523 K was the optimal operating temperature. PMID:22962756

  12. FixO3: Advancement towards Open Ocean Observatory Data Management Harmonisation

    NASA Astrophysics Data System (ADS)

    Behnken, Andree; Pagnani, Maureen; Huber, Robert; Lampitt, Richard

    2015-04-01

    Since 2002 there has been a sustained effort, supported as European framework projects, to harmonise both the technology and the data management of Open Ocean fixed observatories run by European nations. FixO3 started in September 2013, and for 3 more years will coordinate the convergence of data management best practice across a constellation of moorings in the Atlantic, in both hemispheres, and in the Mediterranean. To ensure the continued existence of these unique sources of oceanographic data as sustained observatories it is vital to improve access to the data collected, both in terms of methods of presentation, real-time availability, long-term archiving and quality assurance. The data management component of FixO3 improves access to marine observatory data by harmonising data management standards, formats and workflows covering the complete life cycle of data from real time data acquisition to long-term archiving. Legal and data policy aspects have been examined and discussed to identify transnational barriers to open-access to marine observatory data. As a result, a harmonised FixO3 data policy was drafted, which provides a formal basis for data exchange between FixO3 infrastructures, and also enables open access to data for the general public. FixO3 interacts with other European infrastructures such as EMODnet, SeaDataNet, PANGAEA, and especially aims to harmonise efforts with OceanSites and MyOcean. The project landing page (www.fixo3.eu) offers detailed information about every observatory as well as data visualisations and direct downloads. In addition to this, metadata for all FixO3 - relevant data are available from the searchable FixO3 metadata catalogue, which is also accessible from the project web page. This catalogue is hosted by PANGAEA and receives updates in regular intervals. The FixO3 Standards & Services registry ties in with the GEOSS Components and Services Registry (CSR) and provides additional observatory information. The data management

  13. FixO3 : Early progress towards Open Ocean observatory Data Management Harmonisation

    NASA Astrophysics Data System (ADS)

    Pagnani, Maureen; Huber, Robert; Lampitt, Richard

    2014-05-01

    Since 2002 there has been a sustained effort, supported as European framework projects, to harmonise both the technology and the data management of Open Ocean fixed observatories run by European nations. FixO3 started in September 2013, and for 4 years will coordinate the convergence of data management best practice across a constellation of moorings in the Atlantic, in both hemispheres, and in the Mediterranean. To ensure the continued existence of these unique sources of oceanographic data as sustained observatories it is vital to improve access to the data collected, both in terms of methods of presentation, real-time availability, long-term archiving and quality assurance. The data management component of FixO3 will improve access to marine observatory data by harmonizing data management standards and workflows covering the complete life cycle of data from real time data acquisition to long-term archiving. Legal and data policy aspects will be examined to identify transnational barriers to open-access to marine observatory data. A harmonised FixO3 data policy is being synthesised from the partner's existing policies, which will overcome the identified barriers, and provide a formal basis for data exchange between FixO3 infrastructures. Presently, the interpretation and implementation of accepted standards has considerable incompatibilities within the observatory community, and these different approaches will be unified into the FixO3 approach. Further, FixO3 aims to harmonise data management and standardisation efforts with other European and international marine data and observatory infrastructures. The FixO3 synthesis will build on the standards established in other European infrastructures such as EDMONET, SEADATANET, PANGAEA, EuroSITES (European contribution to JCOMMP OceanSITES programme), and MyOcean (the Marine Core Service for GMES) infrastructures as well as relevant international infrastructures and data centres such as the ICOS Ocean Thematic Centre

  14. Elastic properties of lead-free (Na1/2Bi1/2)TiO3-BaTiO3 single crystals near the morphotropic phase boundary as studied by using Brillouin spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Byoung Wan; Ko, Jae-Hyeon; Li, Xiaobing; Luo, Haosu

    2015-05-01

    The elastic properties of lead-free (Na1/2Bi1/2)TiO3-BaTiO3 single crystals near the morphotropic phase boundary were investigated by using Brillouin spectroscopy at room temperature. The measured longitudinal elastic constants of unpoled single crystals with a BaTiO3 content of 5% exhibited large changes depending on the scattering geometry, indicating that a substantial acoustic dispersion effect exists in this system. This was attributed to the relaxor nature due to inherent disorder in the A-site of the perovskite structure.

  15. Impacts of Elevated Atmospheric CO 2 and O 3 on Paper Birch ( Betula papyrifera ): Reproductive Fitness

    DOE PAGES

    Darbah, Joseph N. T.; Kubiske, Mark E.; Nelson, Neil; Oksanen, Elina; Vaapavuori, Elina; Karnosky, David F.

    2007-01-01

    Atmospheric CO 2 and tropospheric O 3 are rising in many regions of the world. Little is known about how these two commonly co-occurring gases will affect reproductive fitness of important forest tree species. Here, we report on the long-term effects of CO 3 and O 3 for paper birch seedlings exposed for nearly their entire life history at the Aspen FACE (Free Air Carbon Dioxide Enrichment) site in Rhinelander, WI. Elevated CO 2 increased both male and female flower production, while elevated O 3 increased female flower production compared to trees in control rings. Interestingly, very little floweringmore » has yet occurred in combined treatment. Elevated CO 2 had significant positive effect on birch catkin size, weight, and germination success rate (elevated CO 2 increased germination rate of birch by 110% compared to ambient CO 2 concentrations, decreased seedling mortality by 73%, increased seed weight by 17%, increased root length by 59%, and root-to-shoot ratio was significantly decreased, all at 3 weeks after germination), while the opposite was true of elevated O 3 (elevated O 3 decreased the germination rate of birch by 62%, decreased seed weight by 25%, and increased root length by 15%). Under elevated CO 2 , plant dry mass increased by 9 and 78% at the end of 3 and 14 weeks, respectively. Also, the root and shoot lengths, as well as the biomass of the seedlings, were increased for seeds produced under elevated CO 2 , while the reverse was true for seedlings from seeds produced under the elevated O 3 . Similar trends in treatment differences were observed in seed characteristics, germination, and seedling development for seeds collected in both 2004 and 2005. Our results suggest that elevated CO 2 and O 3 can dramatically affect flowering, seed production, and seed quality of paper birch, affecting reproductive fitness of this species.« less

  16. Material properties of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3

    DOE PAGES

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

    2016-02-02

    We present an overview on the variation of electrical conductivity, oxygen permeation, oxygen surface exchange and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3–LaCoO3–LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5- xFexCo0.5O3, are presented after the powders had been sintered at 1100 C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. Moreover, the maximummore » DC electrical conductivity value of the perovskites at 800 C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2 x 10-6 K-1 and 21.9 x 10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe M ssbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. Ultimately, the substitution had a great influence on the chemical properties of the materials.« less

  17. Material properties of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3

    NASA Astrophysics Data System (ADS)

    Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

    2016-05-01

    An overview is presented on the variation of electrical conductivity, oxygen permeation, and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5-xFexCo0.5O3, are presented after the powders had been sintered at 1100 °C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. The maximum DC electrical conductivity value of the perovskites at 800 °C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 °C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 °C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2×10-6 K-1 and 21.9×10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe Mössbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. The substitution had a great influence on the chemical properties of the materials.

  18. Direct spectroscopic observation of a shallow hydrogenlike donor state in insulating SrTiO3.

    PubMed

    Salman, Z; Prokscha, T; Amato, A; Morenzoni, E; Scheuermann, R; Sedlak, K; Suter, A

    2014-10-10

    We present a direct spectroscopic observation of a shallow hydrogenlike muonium state in SrTiO(3) which confirms the theoretical prediction that interstitial hydrogen may act as a shallow donor in this material. The formation of this muonium state is temperature dependent and appears below ∼ 70K. From the temperature dependence we estimate an activation energy of ∼ 50 meV in the bulk and ∼ 23 meV near the free surface. The field and directional dependence of the muonium precession frequencies further supports the shallow impurity state with a rare example of a fully anisotropic hyperfine tensor. From these measurements we determine the strength of the hyperfine interaction and propose that the muon occupies an interstitial site near the face of the oxygen octahedron in SrTiO(3). The observed shallow donor state provides new insight for tailoring the electronic and optical properties of SrTiO(3)-based oxide interface systems.

  19. Studies on structural and electrical properties of pure and doped h-YMnO3

    NASA Astrophysics Data System (ADS)

    Rathod, K. N.; Rajyaguru, Bhargav; Solanki, Sapana; Shrimali, V. G.; Sagapariya, Khushal; Markna, J. H.; Solanki, P. S.; Shah, N. A.

    2016-05-01

    In the present communication, we report the results of the structural and electrical studies on pure YMnO3 (YMO) and Zr doped Y0.95Zr0.05MnO3 (YZMO) samples, synthesized using low cost sol-gel technique. To understand the structural properties, structural phases present and effect of doping on the structural behavior, X-ray diffraction (XRD) measurements were carried out for both the samples understudy. XRD results reveal the single phasic nature of both the samples having hexagonal unit cell structure. Improved crystal structure has been observed for pure YMnO3 sample while doping of Zr at Y-site degrades the structure of the sample. Improved dielectric constant and enhanced AC conductivity (σa) have been discussed on the basis of charge carrier polarization and correlated barrier hopping due to the localized state.

  20. Steam Reforming of Glycerol Over Nano Size Ni-Ce/LaAlO3 Catalysts.

    PubMed

    Kim, Seong-Hak; Go, Yoo-Jin; Park, Nam-Cook; Kim, Jong-Ho; Kim, Young-Chul; Moon, Dong-Ju

    2015-01-01

    In this work, hydrogen production from glycerol by Steam Reforming (SR) was studied by Ni-Ce catalysts supported on LaAlO3 perovskite in order to effect of the cerium loading amount and the reaction conditions. Nano size Ni-Ce/LaAlO3 catalysts were prepared by precipitation method. The structure of the catalysts was characterized by XRD analysis. The morphology, dispersion and the reduction properties of catalysts was examined by SEM, TEM, H2-chemisorption and TPR, respectively. It was found that 15 wt% Ni-5 wt% Ce/LaAlO3 catalyst showed the highest glycerol conversion and hydrogen selectivity. In addition, the catalyst also showed the high carbon dioxide selectivity and the lowest methane selectivity. The results indicate that the catalyst promotes methane reforming reaction. The highest activity in the 15 wt% Ni-5 wt% Ce/LaAlO3 was attributed to the proper cerium loading amount. Moreover, the lowest metal crystal size and rise in active site were found to have an effect on catalytic activity and hydrogen selectivity. The 15 wt% Ni-5 wt% Ce/LaAlO3 catalyst exhibited excellent performance with respect to hydrogen production at reaction temperature of 450 degrees C, at atmospheric pressure, 20 wt% glycerol solution and GHSV = 6,000 mL/g-cat x hr. PMID:26328394

  1. Amphoteric Doping of Praseodymium Pr3+ in SrTiO3 Grain Boundaries

    SciTech Connect

    Yang, Hao; Lee, H. S.; Kotula, Paul G.; Sato, Yukio; Ikuhara, Yuichi; Browning, Nigel D.

    2015-03-23

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. This amphoteric doping behavior in the boundary plane is further confirmed by first principles theoretical calculations.

  2. Amphoteric doping of praseodymium Pr3+ in SrTiO3 grain boundaries

    DOE PAGES

    Yang, H.; Lee, H. S.; Kotula, P. G.; Sato, Y.; Ikuhara, Y.; Browning, N. D.

    2015-03-26

    Charge Compensation in rare-earth Praseodymium (Pr3+) doped SrTiO3 plays an important role in determining the overall photoluminescence properties of the system. Here, the Pr3+ doping behavior in SrTiO3 grain boundaries (GBs) is analyzed using aberration corrected scanning transmission electron microscopy (STEM). The presence of Pr3+ induces structure variations and changes the statistical prevalence of GB structures. In contrast to the assumption that Pr3+ substitutes for A site as expected in the bulk, Pr3+ is found to substitute both Sr and Ti sites inside GBs with the highest concentration in the Ti sites. As a result, this amphoteric doping behavior inmore » the boundary plane is further confirmed by first principles theoretical calculations.« less

  3. Measurements of CO and O3 at Shemya, Alaska

    NASA Astrophysics Data System (ADS)

    Jaffe, Dan; Yurganov, Leonid; Pullman, Eric; Reuter, Joseph; Mahura, Alexander; Novelli, Paul

    1998-01-01

    In situ measurements of surface CO were conducted from June 1994 to May 1995, and surface ozone was measured from February to May, 1995, at Shemya, Alaska (52o44'N, 174o06'E) using nondispersive infrared-gas filter correlation (GFC) and UV absorption spectroscopy, respectively. Over the same period, air samples were collected in flasks for analysis of CO and other trace gases as part of the NOAA-CMDL cooperative air sampling network. We compared the continuous GFC measurements with the National Oceanic and Atmospheric Administration Climate Monitoring and Diagnostics Laboratory (NOAA-CMDL) flask data. Over this 1-year period, CO mixing ratios varied between 60 and 250 parts per billion by volume (ppbv). Within this range, the comparison between the two measurements is quite good, with an overall R2 of 0.953 and an average difference of 3.1%. A seasonal cycle is apparent in the CO data, with a springtime maximum and a summer minimum. Synoptic influences on the data include transport from the lower-latitude Pacific, bringing air with very low CO mixing ratios to Shemya, and, occasionally, transport from industrial areas in east Asia, including northern China, Japan, and eastern Russia. A scatterplot of CO versus O3 using all the data shows essentially no relationship at this remote site. This result implies that the primary sources and sinks for these trace gases are different at this location. However, during a few 12- to 48-hour periods in fall and late spring, enhancements in CO or in both CO and O3 were observed. During these periods, isentropic back trajectories indicate transport from the west and southwest. However, the trajectories are often difficult to interpret due to looping and are of short duration due to impact at the surface. These complexities are associated with the presence of cyclonic systems in the region. The local meteorological data suggest that the enhanced concentrations occurred around the time when these cyclonic systems passed near the

  4. Calculation of Phase Equilibria in the Y2O3-Yb2O3-ZrO2 System

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

    2001-01-01

    Rare earth oxide stabilized zirconias find a wide range of applications. An understanding of phase equilibria is essential to all applications. In this study, the available phase boundary data and thermodynamic data is collected and assessed. Calphad-type databases are developed to completely describe the Y2O3-ZrO2, Yb2O3-ZrO2, and Y2O3-Yb2O3 systems. The oxide units are treated as components and regular and subregular solution models are used. The resultant calculated phase diagrams show good agreement with the experimental data. Then the binaries are combined to form the database for the Y2O3-Yb2O3-ZrO2 psuedo-ternary.

  5. Ionic liquid-based hydrothermal synthesis of Lu2O3 and Lu2O3:Eu3+ microcrysals

    NASA Astrophysics Data System (ADS)

    Li, Yinyan; Xu, Shiqing

    2016-09-01

    Uniform and well-defined Lu2O3 and Lu2O3:Eu3+ microarchitectures have been successfully synthesized via a green and facile ionic liquid-based hydrothermal method followed by a subsequent calcination process. Novel 3D micro-rodbundles and 1D microrods of Lu2O3 and Lu2O3:Eu3+ were controllably obtained through this method. X-ray powder diffraction, scanning electron microscopy, transmission electron microscopy and photoluminescence spectra were used to characterize the micromaterials. The proposed formation mechanisms have been investigated on the basis of a series of SEM studies of the products obtained at different hydrothermal durations. The results indicated that hydrothermal temperature and the ionic liquid-tetrabutylammonium hydroxide were two key factors for the formation as well as the morphology control of the Lu2O3 and Lu2O3:Eu3+ microarchitectures.

  6. Generic Representation of Y( s o(3)) Based on the Lie Algebraic Basis of s o(3)

    NASA Astrophysics Data System (ADS)

    Zhang, Hong-Biao; Wang, Gang-Cheng

    2016-05-01

    We focus on constructing a generic representation of Y( s o(3)) based on the Lie algebraic basis of s o(3) basis, and further developing transition of Yangian operator hat Y. As an application of Y( s o(3)), we calculate all the matrix elements of unit vector operators hat n in angular momentum basis. It is also discovered that the Yangian operator hat Y may work in quantum vector space. In addition, some shift operators hat {O}^{(± )}_{μ } are naturally built on the basis of the representation of Y( s o(3)). As an another application of Y( s o(3)), we can derive the CG cofficients of two coupled angular momenta from the down-shift operator hat {O}^{(-)}_{-1} acting on a s o(3)-coupled tensor basis. This not only explores that Yangian algebras can work in quantum tensor space, but also provides a novel approach to solve CG coefficients for two coupled angular momenta.

  7. Electromechanical and magnetic properties of BiFeO3-LaFeO3-CaTiO3 ceramics near the rhombohedral-orthorhombic phase boundary

    NASA Astrophysics Data System (ADS)

    Karpinsky, D. V.; Troyanchuk, I. O.; Sikolenko, V.; Efimov, V.; Kholkin, A. L.

    2013-05-01

    BiFeO3-LaFeO3-CaTiO3 ceramics have been studied by X-ray diffraction, magnetization measurements, and piezoresponse force microscopy (PFM). The compositional ranges of the polar, antipolar, and non-polar phases have been estimated. PFM measurements testify gradual decrease of piezoelectric response in Bi0.85-xLa0.15CaxFe1-xTixO3 system with Ca/Ti content increase, except a narrow concentration region near polar-antipolar phase boundary where piezoelectric signal shows maximum value. It is found that increase of dopant concentration leads to apparent decrease of the off-center Bi-O displacement and, consequently, causes a reduction of piezoelectric response. It is concluded that notable remanent magnetization in polar and non-polar structural phases is a result of the Dzyaloshinsky-Moria interaction.

  8. Superconductivity in Ba(Pb,Bi,Sb)O 3, Ba(Pb,Bi,Te)O 3 and (Ba,La) (Pb,Bi,Tl)O 3 systems

    NASA Astrophysics Data System (ADS)

    Nagarajan, R.; Vasanthacharya, N. Y.; Gopalakrishnan, J.; Rao, C. N. R.

    1991-02-01

    It is possible to substitute Bi in the superconducting BaPb 0.75Bi 0.25O 3 by Sb or Te without destroying the superconductivity. With Sb, a continuous series of solid solutions BaPb 0.75Bi 0.25-ySb yO 3 (0 ⩽ y ⩽ 0.25) exists, while with Te, perovskite BaPb 0.75Bi 0.25-yTe yO 3 exists only upto y = 0.15. With increasing substitution by Sb or Te, T c decreases continously in both the systems. Superconductivity with a maximum T c of 8K is found in Ba 0.9La 0.1Pb 0.9-yBi yTl 0.1O 3 for y = 0.25.

  9. Role of charge transfer configurations in LaMnO3, CaMnO3, and CaFeO3.

    PubMed

    Sadoc, Aymeric; Broer, Ria; de Graaf, Coen

    2007-04-01

    A simple scheme is proposed to analyze the N-electron wave function obtained in embedded cluster calculations in valence bond terms such as ligand-to-metal charge transfer and non-charge-transfer determinants. The analysis is based on a unitary transformation of pairs of natural orbitals to optimal atomiclike orbitals. The procedure is applied to compare the degree of ionicity in NiO and MnO and to explain the existence or absence of Jahn-Teller distortions in LaMnO3, CaMnO3, and CaFeO3. The authors find that the ground state of LaMnO3 is dominated by non-charge-transfer configurations, whereas the charge transfer configurations dominate the ground state wave function in the other two perovskites.

  10. Al2O3/GdAlO3 fiber for dental porcelain reinforcement.

    PubMed

    Medeiros, Igor S; Luz, Luciana A; Yoshimura, Humberto N; Cesar, Paulo F; Hernandes, Antonio C

    2009-10-01

    The aim of this study was to test the hypothesis that the addition of continuous or milled GdAlO3/Al2O3 fibers to a dental porcelain increases its mechanical properties. Porcelain bars without reinforcement (control) were compared to those reinforced with long fibers (30 vol%). Also, disk specimens reinforced with milled fibers were produced by adding 0 (control), 5 or 10 vol% of particles. The reinforcement with continuous fibers resulted in significant increase in the uniaxial flexural strength from 91.5 to 217.4 MPa. The addition of varied amounts of milled fibers to the porcelain did not significantly affect its biaxial flexural strength compared to the control group. SEM analysis showed that the interface between the continuous fiber and the porcelain was free of defects. On the other hand, it was possible to note the presence of cracks surrounding the milled fiber/porcelain interface. In conclusion, the reinforcement of the porcelain with continuous fibers resulted in an efficient mechanism to increase its mechanical properties; however the addition of milled fibers had no significant effect on the material because the porcelain was not able to wet the ceramic particles during the firing cycle.

  11. Doping of BiScO3-PbTiO3 Ceramics for Enhanced Properties

    NASA Technical Reports Server (NTRS)

    Sehirlioglu, Alp; Sayir, Ali; Dynys, Fred

    2008-01-01

    High-temperature piezoelectrics are a key technology for aeronautics and aerospace applications such as fuel modulation to increase the engine efficiency and decrease emissions. The principal challenge for the insertion of piezoelectric materials is the limitation on upper use temperature which is due to low Curie-Temperature (T(sub c) and increasing electrical conductivity. BiScO3 -PbTiO3 (BS-PT) system is a promising candidate for improving the operating temperature for piezoelectric actuators due to its high TC (>400 C). Effects of Zr and Mn doping of the BS-PT ceramics have been studied and all electrical and electromechanical properties for Sc-deficient and Ti-deficient BS- PT ceramics are reported as a function of electrical field and temperature. Donor doping with Zr and Mn (in Sc deficient compositions) increased the DC-resistivity and decreased tan at all temperatures. Resulting ceramics exhibited saturated hysteresis loops with low losses and showed no dependence on the applied field (above twice the coercive field) and measurement frequency.

  12. Quantum Transport in LaAlO3/SrTiO3 Nanowire Cavities

    NASA Astrophysics Data System (ADS)

    Cheng, Guanglei; Tomczyk, Michelle; Lu, Shicheng; Huang, Mengchen; Veazey, Josh; Irvin, Patrick; Ryu, Sangwoo; Eom, Chang-Beom; Levy, Jeremy

    2014-03-01

    Hybrid superconductor-nanowire devices have attracted extensive interest for quantum computation based on electron spins, superconducting quantum bits and Majorana fermions. Such devices, which regulate the flow of single Cooper pairs and electron quasiparticles, are conventionally created by aligning normal nanowires in intimate contact with superconductors. New opportunities for creating such devices exist using a new class of complex-oxide interfaces. In particular, the interface of two insulating oxides, LaAlO3 and SrTiO3, exhibits a rich set of gate-tunable phases including intrinsic superconductivity, metal-insulator transition, and spin-orbit interaction. Here we investigate a superconducting nanowire cavity created by reversible ``write'' and ``erase'' processes using a conductive atomic force microscope (c-AFM) tip.[2] Low-temperature magnetotransport experiments show that electrons can be subject to Coulomb blockade, Cooper pair tunneling, Andreev reflection and Fabry-Perot interference in a single device. We gratefully acknowledge support for this work from AFOSR (FA9550-10-1-0524, FA9550-12-1-0268, FA9550-12-1-0342).

  13. MgSiO3-FeSiO3-Al2O3 in the Earth's lower mantle: Perovskite and garnet at 1200 km depth

    NASA Technical Reports Server (NTRS)

    O'Neill, Bridget; Jeanloz, Raymond

    1994-01-01

    Natural pyroxene and garnet starting material are used to study the effects of joint Fe and Al substitution into MgSiO3 perovskite at approxmiately 50 GPa. Garnet is found to coexist with perovskite in samples containing both Fe and Al to pressures occurring deep into the lower mantel (approximately 1200 km depth). The volume of the perovskite unit cell is V(sub o(Angstrom(exp 3)) = 162.59 + 5.95x(sub FeSiO3) + 10.80x(sub Al2O3) with aluminum causing a significant increase in the distortion from the ideal cubic cell. On the basis of a proposed extension of the MgSiO3-Al2O3 high-pressure phase diagram toward FeSiO3, Fe is shown to partition preferentially into the garnet phase. The stability of garnet deep into the lower mantel may hinder the penetration of subducted slabs below the transition zone.

  14. Studies on the properties of Al2O3:Cr2O3 (50:50) thin film

    NASA Astrophysics Data System (ADS)

    Ponmudi, S.; Sivakumar, R.; Sanjeeviraja, C.

    2016-05-01

    Aluminium oxide (Al2O3) and chromium oxide (Cr2O3) thin films have received great attention of researchers because of their unique properties of corrosion/oxidation resistance and high dielectric constant. In addition, chromium aluminium oxide has been considered as a best candidate for deep-ultraviolet optical masks. In the present work, thin films of Al2O3:Cr2O3 (50:50) were deposited on pre-cleaned microscopic glass substrate by RF magnetron sputtering technique. The substrate temperature and RF power induced changes in structural, surface morphological, compositional and optical properties of the films have been studied.

  15. Synthesis of highly strained mesostructured SrTiO(3)/BaTiO(3) composite films with robust ferroelectricity.

    PubMed

    Suzuki, Norihiro; Zakaria, Mohamed B; Torad, Nagy L; Wu, Kevin C-W; Nemoto, Yoshihiro; Imura, Masataka; Osada, Minoru; Yamauchi, Yusuke

    2013-04-01

    A new class of highly stable ferroelectric material, that is, a mesostructured SrTiO(3)/BaTiO(3) composite film, obtained by a surfactant-templated sol-gel method is reported. Due to the concave surface geometry and abundant hetero-interface between SrTiO(3) (ST) and BaTiO(3) (BT) phases, a large number of strains can be created in the composite film, thereby leading to dramatic enhancement of ferroelectric property (see scheme).

  16. Ferroelectric memristor based on Pt/BiFeO3/Nb-doped SrTiO3 heterostructure

    NASA Astrophysics Data System (ADS)

    Hu, Zhongqiang; Li, Qian; Li, Meiya; Wang, Qiangwen; Zhu, Yongdan; Liu, Xiaolian; Zhao, Xingzhong; Liu, Yun; Dong, Shuxiang

    2013-03-01

    We report a continuously tunable resistive switching behavior in Pt/BiFeO3/Nb-doped SrTiO3 heterostructure for ferroelectric memristor application. The resistance of this memristor can be tuned up to 5 × 105% by applying voltage pulses at room temperature, which exhibits excellent retention and anti-fatigue characteristics. The observed memristive behavior is attributed to the modulation effect of the ferroelectric polarization reversal on the width of depletion region and the height of potential barrier of the p-n junction formed at the BiFeO3/Nb-doped SrTiO3 interface.

  17. Effect of ionic radii on the Curie temperature in Ba1-x-ySrxCayTiO3 compounds

    NASA Astrophysics Data System (ADS)

    Berenov, A.; Le Goupil, F.; Alford, N.

    2016-06-01

    A series of Ba1-x-ySrxCayTiO3 compounds were prepared with varying average ionic radii and cation disorder on A-site. All samples showed typical ferroelectric behavior. A simple empirical equation correlated Curie temperature, TC, with the values of ionic radii of A-site cations. This correlation was related to the distortion of TiO6 octahedra observed during neutron diffraction studies. The equation was used for the selection of compounds with predetermined values of TC. The effects of A-site ionic radii on the temperatures of phase transitions in Ba1-x-ySrxCayTiO3 were discussed.

  18. Effect of ionic radii on the Curie temperature in Ba1-x-ySrxCayTiO3 compounds.

    PubMed

    Berenov, A; Le Goupil, F; Alford, N

    2016-06-21

    A series of Ba1-x-ySrxCayTiO3 compounds were prepared with varying average ionic radii and cation disorder on A-site. All samples showed typical ferroelectric behavior. A simple empirical equation correlated Curie temperature, TC, with the values of ionic radii of A-site cations. This correlation was related to the distortion of TiO6 octahedra observed during neutron diffraction studies. The equation was used for the selection of compounds with predetermined values of TC. The effects of A-site ionic radii on the temperatures of phase transitions in Ba1-x-ySrxCayTiO3 were discussed.

  19. Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO3-BiScO3

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    The local structure of the pseudo-cubic solid solution 0.6BaTiO3-0.4BiScO3, which exhibits reentrant dipole-glass behavior, has been determined using the Reverse Monte Carlo method to simultaneously fit (1) neutron and X-ray total scattering data (including the corresponding real-space pair-distribution functions), (2) Bi and Sc extended X-ray absorption fine structure, and (3) patterns of diffuse scattering in electron diffraction. These structural refinements revealed the multi-site probability density distributions for both Bi (14-sites) and Ti (8 sites), whereas Ba and Sc featured normal unimodal distributions. Bi atoms are displaced along both the <111> and <100> directions, while Ti atoms are shifted along <111>. Correlated dynamic hopping of Bi and Ti over their corresponding split sites combined with chemical disorder is proposed as the origin of the strong frequency dispersion observed in dielectric measurements. The existence of split sites also explains the reentrant dipole-glass behavior reported for this system.

  20. Small polarons and point defects in LaFeO3

    NASA Astrophysics Data System (ADS)

    Zhu, Zhen; Peelaers, Hartwin; van de Walle, Chris G.

    The proton-conductive perovskite-type LaFeO3 is a promising negative-electrode material for Ni/metal-hydride (Ni-MH) batteries. It has a discharge capacity up to 530 mAhg-1 at 333 K, which is significantly higher than commercialized AB5-type alloys. To elucidate the underlying mechanism of this performance, we have investigated the structural and electronic properties of bulk LaFeO3, as well as the effect of point defects, using hybrid density functional methods. LaFeO3 is antiferromagnetic in the ground state with a band gap of 3.54 eV. Small hole and electron polarons can form through self- or point-defect-assisted trapping. We find that La vacancies and Sr substitutional on La sites are shallow acceptors with the induced holes trapped as small polarons, while O and Fe vacancies are deep defect centers. Hydrogen interstitials behave like shallow donors, with the donor electrons localized on nearby iron sites as electron polarons. With a large trapping energy, these polarons can act as electron or hole traps and affect the electrical performance of LaFeO3 as the negative electrode for Ni-MH batteries. We acknowledge DOE for financial support.

  1. Interface properties of Ge on cubic SrHfO3 (001)

    NASA Astrophysics Data System (ADS)

    Wang, Jianli; Wang, Chenxiang; Tang, Gang; Zhang, Junting; Guo, Sandong; Han, Yujia

    2016-06-01

    High quality Ge-on-high-k oxide interface is essential to facilitate the high performance metal-oxide semiconductor field-effect transistors and monolithically integrated optoelectronics device performance. The atomic structure and electronic properties of Ge on perfect and defective (001) SrHfO3 are investigated by first-principle calculations. The amplitude of the surface rumpling for the SrO-terminated surface is much larger than that for HfO2-terminated surface, although both SrO- and HfO2-terminated surfaces are stable for a comparable range of the HfO2 chemical potential. The distance between the first and second planes compresses while that of the second and third planes expands due to the relaxation of the slab. We investigated systematically the specific adsorption sites and the atomic structure at the initial growth stage of Ge on the SrHfO3 (001) substrate. The top sites of the oxygen atoms are favorable for 1/2 (1/3) monolayer Ge adsorbate at SrO (HfO2)-terminated surface. We calculated the surface grand potential and presented the complete surface phase diagram. We also pointed out the energetically favorable interfaces among the atomic arrangements of the Ge/SrHfO3 (001) interfaces. The atomic structure and electronic properties of the intrinsic point defects were calculated and analyzed for the Ge/SrHfO3 (001) interfaces.

  2. Exploring the Role of La Codoping beyond Charge Compensation for Enhanced Hydrogen Evolution by Rh-SrTiO3.

    PubMed

    Modak, Brindaban; Ghosh, Swapan K

    2015-08-27

    In this theoretical study, we investigate recent observation of enhancement of hydrogen evolution efficiency of Rh-doped SrTiO3 due to codoping with La at the Sr lattice site. Using hybrid density functional theory, we have systematically studied the electronic structure of (Rh, La)-codoped SrTiO3 and compared with that of Rh-doped SrTiO3, La-doped SrTiO3, and undoped SrTiO3. The aim of the present study has been to explore the role of different factors toward the observed enhanced photoactivity of (Rh, La)-codoped SrTiO3. Doping with only Rh significantly reduces the photoabsorption energy by introducing localized acceptor states between the valence band and conduction band. Unfortunately, these states act as efficient sources for charge carrier trapping. Besides, the oxygen vacancy found to be present in the Rh-doped SrTiO3 as a charge compensating defect also accelerates the electron-hole recombination rate. We have shown that codoping with La and Rh leads to the formation of clean band structure without encountering any midgap states. Introduction of La into the Rh-doped SrTiO3 not only reduces the quantity of Rh(4+) species but also suppresses the oxygen vacancy due to formation of a charge-compensated system. The presence of La favors Rh doping into the crystal structure of SrTiO3 by reducing the formation energy. Moreover, the conduction band minima are found to be shifted in the upward direction significantly due to codoping with Rh and La, thereby increasing the reducing behavior at the conduction band. This leads to enhancement of hydrogen evolution activity of SrTiO3 during photocatalytic water splitting under visible light. PMID:26125518

  3. Stomatal uptake of O3 in a Schima superba plantation in subtropical China derived from sap flow measurements.

    PubMed

    Niu, Junfeng; Zhao, Ping; Sun, Zhenwei; Zhu, Liwei; Ni, Guangyan; Zeng, Xiaoping; Zhang, Zhenzhen; Zhao, Xiuhua; Zhao, Peiqiang; Gao, Jianguo; Hu, Yanting; Zeng, Xiaomin; Ouyang, Lei

    2016-03-01

    Canopy stomatal ozone (O3) flux (Fst,O3) in a plantation of Schima superba, an ecologically and economically important evergreen pioneer tree species in subtropical China, was quantified based on sap flow measurements during a 2-year period. Mean Fst,O3 and accumulated Fst,O3 (AFst0) were significantly higher in wet seasons from April to September (4.62 nmol m(-2) s(-1) and 35.37 mmol m(-2), respectively) than in dry seasons from October to March (3.90 nmol m(-2) s(-1) and 24.15 mmol m(-1), respectively), yet comparable between the 2 years of the experiment, being 4.23 nmol m(-2) s(-1) and 58.23 mmol m(-2) in April 2013-March 2014 and 4.29 nmol m(-2) s(-1) and 60.80 mmol m(-2) in April 2014-March 2015, respectively. At the diurnal scale, Fst,O3 generally peaked in the early to middle afternoon hours (13:00-15:00), while the maximum stomatal conductance (Gst,O3) typically occurred in the middle to late morning hours (09:00-11:00). Monthly integrated AFst0 reached the maximum in July, although accumulated O3 exposure (SUM0) was highest in October. Seasonally or yearly, the accumulated O3 doses, either exposure-based or flux-based, notably exceeded the currently adopted critical thresholds for the protection of forest trees. These results, on the one hand, demonstrated the decoupling between the stomatal uptake of O3 and its environmental exposure level; on the other hand, indicated the potential O3 risk for S. superba in the experimental site. Therefore, the present study endorses the use of sap flow measurements as a feasible tool for estimating Fst,O3, and the transition from the exposure-based toward flux-based metrics for assessing O3 risk for forest trees. Further studies are urgently needed to relate stomatal O3 uptake doses with tree growth reductions for an improved understanding of O3 effects on trees under natural conditions.

  4. Effects of electron correlations application to Ti atoms on physical properties of (LaMnO3)m/(SrTiO3)n superlattices

    NASA Astrophysics Data System (ADS)

    Aezami, A.; Abolhassani, M.; Elahi, M.

    2016-05-01

    Magnetic structures and Curie temperatures of the (LaMnO3)m/(SrTiO3)n superlattices (SLm-n) with m=1, 2, 3 and n=1, 2, 3, 8 were investigated, using density functional theory implemented in Quantum-Espresso open source code. By applying on-site coulomb interaction (Hubbard term U) to Ti atoms for all of these superlattices, using Stoner-Wolfarth model, it was found that the magnetic order of interfacial atoms of these superlattices changed to ferromagnetic by implying U=5 eV on Ti atoms. The inclusion of electron-electron correlation with U=5 eV on the Ti atoms for all of the superlattices made the two dimensional electron gas (2DEG) formed at the interfaces, half-metallic. The obtained values of Curie temperature, calculated within mean field approximation with U=5 eV on the Ti atoms, are in good agreement with the experimental results.

  5. Surface structure and catalytic properties of MoO3/CeO2 and CuO/MoO3/CeO2.

    PubMed

    Yu, Wujiang; Zhu, Jie; Qi, Lei; Sun, Chuanzhi; Gao, Fei; Dong, Lin; Chen, Yi

    2011-12-15

    XRD, LRS, TPR and in situ NH(3) adsorption FT-IR were used to investigate the dispersion state of the copper oxide and molybdena species of MoO(3)/CeO(2) and CuO/MoO(3)/CeO(2) catalysts as well as their surface acidity. The results showed that the molybdena monolayer modification promoted the dispersion of CuO due to the formation of new tetrahedral vacancies. Meanwhile, CuO changed the structure of molybdenum species and then influenced the surface acidity of the samples. A detail discussion about the possible model of the surface structure of the catalyst was presented. In addition, combining with the in situ NH(3) adsorption FT-IR, the relationships between the activities for ''NO + NH(3) + O(2)'' reaction and surface acid properties (Brønsted and Lewis acid sites) of the catalysts were discussed. PMID:21930282

  6. The Impacts of Cation Stoichiometry and Substrate Surface Quality on Nucleation, Structure, Defect Formation, and Intermixing in Complex Oxide Heteroepitaxy–LaCrO3 on SrTiO3(001)

    SciTech Connect

    Qiao, Liang; Zhang, Hongliang; Bowden, Mark E.; Varga, Tamas; Shutthanandan, V.; Colby, Robert J.; Du, Yingge; Kabius, Bernd C.; Sushko, P. V.; Biegalski, Michael D.; Chambers, Scott A.

    2013-06-20

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition. Here we report on the effects of cation stoichiometry in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We show that LaCrO3 films grow pseudomorphically on SrTiO3(001) over an wide range of La-to-Cr atom ratios. However, the growth mode and structural quality are sensitive to the La-to-Cr ratio, with La-rich films being of considerably lower structural quality than Cr-rich films. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition at ambient temperature. Indiffused La atoms occupy Sr sites in the substrate. The presence of defects in the SrTiO3 substrate is implicated in promoting La indiffusion by comparing the properties of LaCrO3/SrTiO3 with those of LaCrO3/Si, both prepared at ambient temperature. Additionally, pulsed laser deposition is shown to result in more extensive interfacial mixing than molecular beam epitaxy for deposition at ambient temperature on Si.

  7. Effects of the substitution of P2O5 by B2O3 on the structure and dielectric properties in (90-x) P2O5-xB2O3-10Fe2O3 glasses.

    PubMed

    Sdiri, N; Elhouichet, H; Dhaou, H; Mokhtar, F

    2014-01-01

    90%[xB2O3 (1-x) P2O5] 10%Fe2O3, glass systems where (x=0 mol%, 5 mol%, 10 mol%, 15 mol%, 20 mol%) was prepared via a melt quenching technique. The structure of glass is investigated at room temperature by, Raman and EPR spectroscopy. Raman studies have been performed on these glasses to examine the distribution of different borate and phosphate structural groups. We have noted an increase from 3 to 4 in the coordination number of the boron atoms from 3 to 4, i.e., the conversion of the BO3 triangular structural units into BO4 tetrahedra. The samples have been investigated by means of electron paramagnetic resonance (EPR). The results obtained from the gef=4.28 EPR line are typical of the occurrence of iron (III) occupying substitutional sites. Moreover, the dielectric sizes such as ε'(ω), ε″(ω), imaginary parts of the electrical modulus, M(*)(ω) and the loss tanδ, their variation with frequency at room temperature show a decrease in relaxation intensity with an increase in the concentration of (B2O3). On the present work, we have found a weak extinction index with our new glass.

  8. Superior high-temperature oxidation resistance of a novel (Al2O3-Y2O3)/Pt laminated coating

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoxu; He, Yedong; Wang, Deren; Zhang, Jin

    2012-03-01

    A 7-layer (Al2O3-Y2O3)/Pt laminated coating was successfully prepared on a Ni-based superalloy by magnetron sputtering methods. It is observed that the as-prepared coating has dense and refined brittle/ductile laminated nanostructure. Cyclic oxidation tests were adopted to investigate the oxidation and spallation resistance of this novel laminated coating. The results revealed that the 7-layer (Al2O3-Y2O3)/Pt laminated coating can significantly improve the high-temperature oxidation resistance and spallation resistance of the Ni-based superalloy. In such laminated coating, the multi-sealed (Al2O3-Y2O3) and Pt layers can effectively suppress the inward diffusion of oxygen to an extremely low level, providing super oxidation resistance at 1200 °C for 1000 h. In addition, the excellent high-temperature mechanical properties of the (Al2O3-Y2O3)/Pt laminated coating are mainly induced by the increased thermal expansion coefficient and the brittle/ductile laminated composite structure by means of energy release mechanisms.

  9. The Vaporization of B2O3(l) to B2O3(g) and B2O2(g)

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Myers, Dwight L.

    2011-01-01

    The vaporization of B2O3 in a reducing environment leads to formation of both B2O3(g) and B2O2(g). While formation of B2O3(g) is well understood, many questions about the formation of B2O2(g) remain. Previous studies using B(s) + B2O3(l) have led to inconsistent thermodynamic data. In this study, it was found that after heating, B(s) and B2O3(l) appear to separate and variations in contact area likely led to the inconsistent vapor pressures of B2O2(g). To circumvent this problem, an activity of boron is fixed with a two-phase mixture of FeB and Fe2B. Both second and third law enthalpies of formation were measured for B2O2(g) and B2O3(g). From these the enthalpies of formation at 298.15 K are calculated to be -479.9 +/- 41.5 kJ/mol for B2O2(g) and -833.4 +/- 13.1 kJ/mol for B2O3(g). Ab initio calculations to determine the enthalpies of formation of B2O2(g) and B2O3(g) were conducted using the W1BD composite method and show good agreement with the experimental values.

  10. Interfacial ferromagnetism and exchange bias in CaRuO3/CaMnO3 superlattices.

    PubMed

    He, C; Grutter, A J; Gu, M; Browning, N D; Takamura, Y; Kirby, B J; Borchers, J A; Kim, J W; Fitzsimmons, M R; Zhai, X; Mehta, V V; Wong, F J; Suzuki, Y

    2012-11-01

    We have found ferromagnetism in epitaxially grown superlattices of CaRuO(3)/CaMnO(3) that arises in one unit cell at the interface. Scanning transmission electron microscopy and electron energy loss spectroscopy indicate that the difference in magnitude of the Mn valence states between the center of the CaMnO(3) layer and the interface region is consistent with double exchange interaction among the Mn ions at the interface. Polarized neutron reflectivity and the CaMnO(3) thickness dependence of the exchange bias field together indicate that the interfacial ferromagnetism is only limited to one unit cell of CaMnO(3) at each interface. The interfacial moment alternates between the 1 μ(B)/interface Mn ion for even CaMnO(3) layers and the 0.5 μ(B)/interface Mn ion for odd CaMnO(3) layers. This modulation, combined with the exchange bias, suggests the presence of a modulating interlayer coupling between neighboring ferromagnetic interfaces via the antiferromagnetic CaMnO(3) layers.

  11. Charge trapping behavior and its origin in Al2O3/SiC MIS system

    NASA Astrophysics Data System (ADS)

    Liu, Xin-Yu; Wang, Yi-Yu; Peng, Zhao-Yang; Li, Cheng-Zhan; Wu, Jia; Bai, Yun; Tang, Yi-Dan; Liu, Ke-An; Shen, Hua-Jun

    2015-08-01

    Charge trapping behavior and its origin in Al2O3/SiC MOS structure are investigated by analyzing the capacitance-voltage (C-V) hysteresis and the chemical composition of the interface. The C-V hysteresis is measured as a function of oxide thickness series for an Al2O3/SiC MIS capacitor. The distribution of the trapped charges, extracted from the C-V curves, is found to mainly follow a sheet charge model rather than a bulk charge model. Therefore, the electron injection phenomenon is evaluated by using linear fitting. It is found that most of the trapped charges are not distributed exactly at the interface but are located in the bulk of the Al2O3 layers, especially close to the border. Furthermore, there is no detectable oxide interface layer in the x-ray photoelectron spectroscope (XPS) and transmission electron microscope (TEM) measurements. In addition, Rutherford back scattering (RBS) analysis shows that the width of the Al2O3/SiC interface is less than 1 nm. It could be concluded that the charge trapping sites in Al2O3/SiC structure might mainly originate from the border traps in Al2O3 film rather than the interface traps in the interfacial transition layer. Project supported by the National Natural Science Foundation of China (Grant No. 61106080) and the National Science and Technology Major Project of the Ministry of Science and Technology of China (Grant No. 2013ZX02305).

  12. New benchmark for water photooxidation by nanostructured alpha-Fe2O3 films.

    PubMed

    Kay, Andreas; Cesar, Ilkay; Grätzel, Michael

    2006-12-13

    Thin films of silicon-doped Fe2O3 were deposited by APCVD (atmospheric pressure chemical vapor deposition) from Fe(CO)5 and TEOS (tetraethoxysilane) on SnO2-coated glass at 415 degrees C. HRSEM reveals a highly developed dendritic nanostructure of 500 nm thickness having a feature size of only 10-20 nm at the surface. Real surface area determination by dye adsorption yields a roughness factor of 21. XRD shows the films to be pure hematite with strong preferential orientation of the [110] axis vertical to the substrate, induced by silicon doping. Under illumination in 1 M NaOH, water is oxidized at the Fe2O3 electrode with higher efficiency (IPCE = 42% at 370 nm and 2.2 mA/cm2 in AM 1.5 G sunlight of 1000 W/m2 at 1.23 VRHE) than at the best reported single crystalline Fe2O3 electrodes. This unprecedented efficiency is in part attributed to the dendritic nanostructure which minimizes the distance photogenerated holes have to diffuse to reach the Fe2O3/electrolyte interface while still allowing efficient light absorption. Part of the gain in efficiency is obtained by depositing a thin insulating SiO2 interfacial layer between the SnO2 substrate and the Fe2O3 film and a catalytic cobalt monolayer on the Fe2O3 surface. A mechanistic model for water photooxidation is presented, involving stepwise accumulation of four holes by two vicinal iron or cobalt surface sites. PMID:17147381

  13. Field-assisted Densification of Superhard B6O Materials with Y2O3/Al2O3 Addition

    NASA Astrophysics Data System (ADS)

    Herrmann, M.; Raethel, J.; Sempf, K.; Thiele, M.; Bales, A.; Sigalas, I.

    B6O is a possible candidate of superhard materials with a hardness of 45 GPa measured on single crystals. Up to now, densification of these materials was only possible at high pressure. However, recently it was found that different oxides can be utilized as effective sintering additives. In this work the effect of addition of Y2O3/Al2O3 on the densification behaviour as a function of applied pressure, its microstructure evolution, and resulting mechanical properties were investigated. A strong dependence of the densification with increasing pressure was found. The material revealed characteristic triple junctions filled with amorphous residue composed of B2O3, Al2O3 and Y2O3, while no amorphous grain-boundary films were observed along internal interfaces. Mechanical testing revealed on average hardness of 33 GPa, a fracture toughness of 4 MPam1/2, and a strength value of 500 MPa.

  14. Bipolar resistive switching in YMnO3/Nb:SrTiO3 pn-heterojunctions

    NASA Astrophysics Data System (ADS)

    Bogusz, Agnieszka; Bürger, Danilo; Skorupa, Ilona; Schmidt, Oliver G.; Schmidt, Heidemarie

    2016-11-01

    Resistively switching oxides are promising materials for use in electronic applications such as nonvolatile memories, logic gates, and artificial synapses. This work presents the bipolar resistive switching (BRS) in YMnO3/Nb:SrTiO3 pn-heterojunctions. A thermally driven electroforming process is required prior to the observed BRS. Results indicate that the BRS in YMnO3/Nb:SrTiO3 originates from the combined effects of charge trapping and detrapping processes along with the electro-migration of charged point defects in the depletion layer of the pn-heterojunction. It is shown that the built-in voltage of the pn-heterojunctions can be tuned by the oxygen partial pressure during growth of the YMnO3 thin film and impacts the working parameters of the resistively switching cell. This study provides a guideline for material engineering of bipolar resistive switches based on pn-heterojunctions.

  15. Gene expression responses of paper birch to elevated O3 and CO2 during leaf maturation and senescence

    NASA Astrophysics Data System (ADS)

    Kontunen-Soppela, S.; Parviainen, J.; Ruhanen, H.; Brosché, M.; Keinanen, M.; Thakur, R. C.; Kolehmainen, M.; Kangasjarvi, J.; Oksanen, E.; Karnosky, D. F.; Vapaavuori, E.

    2009-12-01

    Forest trees are exposed to increasing concentrations of O3 and CO2 simultaneously. The rise of concentration in these gases causes changes in the gene expression of trees, which can be small in acclimated trees, but yet pivotal for the metabolism of the trees. We have studied the response of paper birch (Betula papyrifera) leaf gene expression to elevated O3 and CO2 concentrations during leaf maturation and senescence. The hypotheses were:(1) Elevated O3 induces oxidative stress in leaves. During long O3-exposure repair mechanisms are activated. Because chemical defense requires energy and carbon uptake is reduced, leaf senescence is activated earlier. Alternatively, the senescence-associated processes, remobilization and storage of carbohydrates and nutrients, may not be completed. (2) In the combination of elevated CO2+O3, the O3-caused damages are not seen or they are smaller, due to closure of the stomata under elevated CO2 and decreased O3 uptake by the leaves. On the other hand, elevated CO2 may provide energy and increase defense chemicals, enabling leaves to repair the O3-caused damages. Gene expression responses of paper birch leaves to elevated O3 and CO2 were studied with microarray analyses. Samples were collected from the long-term O3 and CO2 fumigation experiment Aspen FACE in Rhinelander, WI, USA (http://aspenface.mtu.edu/). The site contains 12 FACE rings receiving CO2, O3, CO2+O3, and ambient air (controls). Birches have been exposed to elevated CO2 (550ppm) and O3 (1.5X ambient) since 1998. Leaf samples were collected in July, August and September 2004. The cDNA-microarrays used for hybridizations consisted of Populus euphratica ESTs representing ca 6500 different genes. In order to detect similar gene expression patterns within samplings and treatments, the microarray data was analyzed with multivariate methods; clustering with Self-Organizing Map, finding optimal cluster grouping by K-means clustering and visualizing the results with Sammon

  16. Dry deposition of O3 and SO2 estimated from gradient measurements above a temperate mixed forest.

    PubMed

    Wu, Zhiyong; Staebler, Ralf; Vet, Robert; Zhang, Leiming

    2016-03-01

    Vertical profiles of O3 and SO2 concentrations were monitored at the Borden Forest site in southern Ontario, Canada from May 2008 to April 2013. A modified gradient method (MGM) was applied to estimate O3 and SO2 dry deposition fluxes using concentration gradients between a level above and a level below the canopy top. The calculated five-year mean (median) dry deposition velocity (Vd) were 0.35 (0.27) and 0.59 (0.54) cm s(-1), respectively, for O3 and SO2. Vd(O3) exhibited large seasonal variations with the highest monthly mean of 0.68 cm s(-1) in August and the lowest of 0.09 cm s(-1) in February. In contrast, seasonal variations of Vd(SO2) were smaller with monthly means ranging from 0.48 (May) to 0.81 cm s(-1) (December). The different seasonal variations between O3 and SO2 were caused by the enhanced SO2 uptake by snow surfaces in winter. Diurnal variations showed a peak value of Vd in early morning in summer months for both O3 and SO2. Canopy wetness increased the non-stomatal uptake of O3 while decreasing the stomatal uptake. This also applied to SO2, but additional factors such as surface acidity also played an important role on the overall uptake.

  17. Native defects and Pr impurities in orthorhombic CaTiO3 by first-principles calculations

    NASA Astrophysics Data System (ADS)

    Zhu, Ailing; Wang, Jianchuan; Zhao, Dongdong; Du, Yong

    2011-07-01

    Formation energies of native defects and Pr impurities in orthorhombic CaTiO3 are explored using the first-principles calculations. The Ca vacancy (VCa), Ti vacancy (VTi) and Ca antisite (CaTi) are found to be energetically preferable. The Ti antisite (TiCa) and O vacancy (VO) are not energetically favorable in the wide range of Fermi level. In Pr-doped CaTiO3, Pr substituting for Ca (PrCa) is likely to form under condition A in which CaTiO3 is in equilibrium with CaO and O2. Under condition B (TiO2, CaTiO3 and O2 are in equilibrium), PrTi defect is energetically preferable depending on the Fermi levels. Several native defects and the two sites of Pr impurities in CaTiO3 are coincided with several different defects in Pr-doped CaTiO3 reported in the literature. Based on the present calculations, we can elucidate that the Ca deficiency design of the traditional formula Ca1-xVCa(x/2)PrxTiO3 is not the best for efficient red photoluminescence, which is realized via the experimental measurements.

  18. Enhanced Dielectric Properties and High-Temperature Microwave Absorption Performance of Zn-Doped Al2O3 Ceramic

    NASA Astrophysics Data System (ADS)

    Wang, Yuan; Luo, Fa; Wei, Ping; Zhou, Wancheng; Zhu, Dongmei

    2015-07-01

    To improve the dielectric and microwave absorption properties of Al2O3 ceramic, Zn-doped Al2O3 ceramic was prepared by conventional ceramic processing. X-ray diffraction analysis confirmed that Zn atoms successfully entered the Al2O3 ceramic lattice and occupied Al sites. The complex permittivity increased with increasing Zn concentration, which is mainly attributed to the increase in charged vacancy defects and densification of the Al2O3 ceramic. In addition, the temperature-dependent complex permittivity of 3% Zn-doped Al2O3 ceramic was determined in the temperature range from 298 K to 873 K. Both the real and imaginary parts of the complex permittivity increased monotonically with increasing temperature, which can be ascribed to the shortened relaxation time and increasing electrical conductivity. The increased complex permittivity leads to a great improvement in microwave absorption. In particular, when the temperature is up to 873 K, the 3% Zn-doped Al2O3 ceramic exhibited the best absorption performance with a maximum peak (-12.1 dB) and broad effective absorption bandwidth (reflection loss less than -10 dB from 9.3 GHz to 12.3 GHz). These results reveal that Zn-doped Al2O3 ceramic is a promising candidate for use as a kind of high-temperature microwave absorption material.

  19. Crystalline orientations of Tl2Ba2Ca2Cu3O(x) grains on MgO, SrTiO3, and LaAlO3 substrates

    NASA Technical Reports Server (NTRS)

    Liou, S. H.; Wu, C. Y.

    1992-01-01

    Crystalline orientations of Tl2Ba2Ca2Cu3O(x) grains in magnetron sputtered films on MgO (001), SrTiO3 (001), and LaAlO3 (001) substrates were investigated by scanning electron microscopy. In contrast to the nearly single crystalline films on the lattice matched substrates SrTiO3 and LaAlO3, films on the MgO (001) substrate, being polycrystalline in nature, exhibit several preferred in-plane grain orientations. These orientations agree well with a simplified theory of near-coincidence site lattices between Tl2Ba2Ca2Cu3O(x) and MgO.

  20. Novel gold nanocluster electrochemiluminescence immunosensors based on nanoporous NiGd-Ni2O3-Gd2O3 alloys.

    PubMed

    Lv, Xiaohui; Ma, Hongmin; Wu, Dan; Yan, Tao; Ji, Lei; Liu, Yixin; Pang, Xuehui; Du, Bin; Wei, Qin

    2016-01-15

    Herein, three-dimensional nanoporous NiGd alloy (NP-NiGd) was prepared by selectively dealloy Al from NiGdAl alloy in mild alkaline solution, then Ni2O3 and Gd2O3 grew further on the surface of NP-NiGd to obtain the NP-NiGd-Ni2O3-Gd2O3. On this basis, NP-NiGd-Ni2O3-Gd2O3 was further functionalized with gold nanoparticles (NP-NiGd-Ni2O3-Gd2O3@Au) and acted as sensor platform to fabricate a novel electrochemiluminescence (ECL) immunosensor. Bovine serum albumin protected gold nanoclusters (AuNCs@BSA) were prepared and acted as illuminant. AuNCs@BSA modified graphene oxide (GO/AuNCs@BSA) were used as labels of second antibody. In order to characterize the performance of the ECL immunosensor, carcino embryonie antigen (CEA) was used as the model to complete the experiments. Due to the good performances of NP-NiGd-Ni2O3-Gd2O3@Au (high surface area, excellent electron conductivity) and AuNCs@BSA (low toxicity, biocompatibility, easy preparation and good water solubility), the ECL immunosensor exhibited a wide range from 10(-4) to 5ng/mL with a detection limit of 0.03pg/mL (S/N=3). The immunosensor with excellent stability, acceptable repeatability and selectivity provided a promising method to detect CEA in human serum sample sensitively. PMID:26318782

  1. Comparison of AC/O3-BAC and O3-BAC processes for removing organic pollutants in secondary effluent.

    PubMed

    Li, Laisheng; Zhu, Wanpeng; Zhang, Pengyi; Zhang, Zulin; Wu, Honghai; Han, Wenya

    2006-03-01

    AC (activated carbon)/O3-BAC (biological activated carbon) process was employed to treat secondary effluent and compared to O3-BAC process. The effects of ozone dosages and empty bed contact time (EBCT) in BAC on dissolved organic carbon (DOC) removal were investigated. The results showed that the presence of AC improved ozone utilization and biodegradability of the effluent. DOC removal increased with ozone dosage and EBCT in BAC, however, 3 mg l(-1) ozone dosage with 15 min oxidation time and 15 min EBCT in BAC were more economical and efficient. For DOC removal, AC/O3-BAC was more efficient than O3-BAC and its synergetic effect was more than that in O3-BAC process. The biomass of the subsequent BAC unit in AC/O3-BAC process was more than that in O3-BAC process and much more than that in BAC alone. Except for organic pollutants with molecular weight (MW) >10 kDa, those of other MW range were decomposed much more by AC/O3 process than by O3 process. GC/MS analysis showed that dibutyl phthalate, bis(2-ethylhexyl) phthalate, 4-bromo-3-chloroaniline, 2-propanone-ethylhydrazone and phenol derivatives were prevalent organic compounds in the secondary effluent. Some aromatic compounds, such as 4-bromo-3-chloroaniline and 2,4-dichloro-benzenamine disappeared after AC/O3 treatment. However, some small molecules were generated, after further biological treatment by BAC, the kinds and concentration of organic compounds were greatly reduced. PMID:16087215

  2. Oxygen evolution on a SrFeO3 anode - Mechanistic considerations from molecular orbital theory

    NASA Technical Reports Server (NTRS)

    Mehandru, S. P.; Anderson, Alfred B.

    1989-01-01

    Various pathways proposed in the literature for the evolution of O2 in electrochemical oxidations are explored using the atom superposition and electron delocalization molecular orbital (ASED-MO) theory and the cluster models of the SrFeO3 surface as a prototype material. Calculations indicate that oxygen atoms can be easily formed on the (100) surface as well as on the edge cation sites of a SrFeO3 anode by the discharge of OH(-), followed by its deprotonation and electron transfer to the electrode. The O atoms can form O2 on the edge and corner sites, where the Fe(4+) is coordinated to four and three bulk oxygen anions, respectively. The calculations strongly disfavor mechanisms involving coupling of oxygen atoms adsorbed on different cations as well as a mechanism featuring an ozone intermediate.

  3. Broadband 1.5- μm emission of high erbium-doped Bi 2O 3-B 2O 3-Ga 2O 3 glasses

    NASA Astrophysics Data System (ADS)

    Fan, Huiyan; Wang, Guonian; Li, Kefeng; Hu, Lili

    2010-07-01

    High Erbium-doped glass showing the wider 1.5-μm emission band is reported in the Bi 2O 3-B 2O 3-Ga 2O 3 system and its thermal stability and optical properties such as absorption, emission spectra, absorption and stimulated emission cross-sections and fluorescence lifetime are investigated. Compared with other glass hosts, the gain bandwidth properties of high Er 3+ content in BBG glass are better than those of tellurite, germanate, silicate and phosphate glasses. The broad and flat 4I 13/2→ 4I 15/2 emission and the larger stimulated emission cross-section of Er 3+ ions around 1.5 μm enable it to be used as a host material for potential broadband optical amplifiers at C and L bands in the microchip configuration.

  4. Investigation of luminescence and laser transition of Dy3+ in Li2O-Gd2O3-Bi2O3-B2O3 glasses

    NASA Astrophysics Data System (ADS)

    Zaman, F.; Kaewkhao, J.; Srisittipokakun, N.; Wantana, N.; Kim, H. J.; Rooh, G.

    2016-05-01

    The aim of this study is to develop Li2O-Gd2O3-Bi2O3-B2O3 glass doped with different concentration of Dy3+ ions by melt quenching technique for different applications in photonics and laser devices. From the experimental oscillator strength (fexp) of the absorption spectra the JO intensity parameters (Ω λ = 2, 4, 6) have been calculated, and by using these JO intensity parameters various radiative parameters were calculated. By using JO theory the radiative transition probability (AR), radiative lifetime (τR) and branching ratio (βR) for Dy3+ ion have been found. A decrease in lifetimes of the prepared glass by increasing concentration of Dy3+ is because of the energy transfer through cross relaxation and resonant energy transfer channels in the present glass matrix. Using experimental and calculated lifetimes, the quantum efficiency (η) and non-radiative relaxation rates (WNR) of 4F9/2 excited state have been calculated. From emission spectra, effective bandwidths (Δλeff) and emission stimulated emission cross section σ (λp) were found for 4F9/2 → 6HJ (J = 15/2, 13/2, 11/2 and 9/2). Chromaticity results revealed that the CCT values of the LGBiBDy glass samples are in between to those of day light and commercial white light LED sources. Further investigations are under way for the optimization of dopant concentration in the Li2O-Gd2O3-Bi2O3-B2O3 glass.

  5. Local electrostatic imaging of striped domain order in LaAlO3/SrTiO3.

    PubMed

    Honig, M; Sulpizio, J A; Drori, J; Joshua, A; Zeldov, E; Ilani, S

    2013-12-01

    The emerging field of complex oxide interfaces is generically built on one of the most celebrated substrates--strontium titanate (SrTiO3). This material hosts a range of phenomena, including ferroelasticity, incipient ferroelectricity, and most puzzlingly, contested giant piezoelectricity. Although these properties may markedly influence the oxide interfaces, especially on microscopic length scales, the lack of local probes capable of studying such buried systems has left their effects largely unexplored. Here we use a scanning charge detector--a nanotube single-electron transistor--to non-invasively image the electrostatic landscape and local mechanical response in the prototypical LaAlO3/SrTiO3 system with unprecedented sensitivity. Our measurements reveal that on microscopic scales SrTiO3 exhibits large anomalous piezoelectricity with curious spatial dependence. Through electrostatic imaging we unravel the microscopic origin for this extrinsic piezoelectricity, demonstrating its direct, quantitative connection to the motion of locally ordered tetragonal domains under applied gate voltage. These domains create striped potential modulations that can markedly influence the two-dimensional electron system at the conducting interface. Our results have broad implications to all complex oxide interfaces built on SrTiO3 and demonstrate the importance of microscopic structure to the physics of electrons at the LaAlO3/SrTiO3 interface. PMID:24240241

  6. Retardation mechanism of ultrathin Al2O3 interlayer on Y2O3 passivated gallium nitride surface.

    PubMed

    Quah, Hock Jin; Cheong, Kuan Yew

    2014-05-28

    A systematic investigation was carried out by incorporating an ultrathin aluminum oxide (Al2O3) as an interlayer between yttrium oxide (Y2O3) passivation layer and GaN substrate. The sandwiched samples were then subjected to postdeposition annealing in oxygen ambient from 400 to 800 °C. The Al2O3 interlayer was discovered to play a significant role in slowing down inward diffusion of oxygen through the Y2O3 passivation layer as well as in impeding outward diffusion of Ga(3+) and N(3-) from the decomposed GaN surface. These beneficial effects have suppressed subsequent formation of interfacial layer. A mechanism in association with the function of Al2O3 as an interlayer was suggested and discussed. The mechanism was explicitly described on the basis of the obtained results from X-ray diffraction, X-ray photoelectron spectroscopy, energy-filtered transmission electron microscopy (TEM), high resolution TEM, and electron energy loss spectroscopy line scan. A correlation between the proposed mechanism and metal-oxide-semiconductor characteristics of Y2O3/Al2O3/GaN structure has been proposed.

  7. First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskite SnTiO3 and PbTiO3

    NASA Astrophysics Data System (ADS)

    Pitike, Krishna Chaitanya; Parker, William D.; Louis, Lydie; Nakhmanson, Serge M.

    2015-01-01

    In this project, a computational investigation utilizing density functional theory methods is carried out to elucidate the differences in stereochemical lone-pair activity of Pb2 + and Sn2 + A-site ions in epitaxial polar ATiO3 perovskites. The contrasting tendencies for the lead- and tin-based compounds to form different phases—A m m 2 for the former versus C m for the latter—under biaxial tension are connected to the amount of charge concentrated within the lone pair lobes. Specifically, phases are energetically more preferable when as much charge as possible is dissipated out of the lobe, thus lowering the cost of Coulomb repulsions between the lone pair and the surrounding oxygen cage. Although a strong band-gap tuning was predicted in (fictitious) SnTiO3 during the tensile P 4 m m →C m phase transformation [see W. D. Parker, J. M. Rondinelli, and S. M. Nakhmanson, Phys. Rev. B 84, 245126 (2011), 10.1103/PhysRevB.84.245126], we find the same effect to be considerably weaker in PbTiO3. The insights gained about the electronic-level underpinnings of transitional behavior in such lone-pair-active epitaxial ferroelectrics may be used in the design of a new generation of more efficient electromechanical and electrooptical devices.

  8. Octahedral rotation patterns in strained EuFeO3 and other Pbnm perovskite films: Implications for hybrid improper ferroelectricity

    NASA Astrophysics Data System (ADS)

    Choquette, A. K.; Smith, C. R.; Sichel-Tissot, R. J.; Moon, E. J.; Scafetta, M. D.; Di Gennaro, E.; Miletto Granozio, F.; Karapetrova, E.; May, S. J.

    2016-07-01

    We report the relationship between epitaxial strain and the crystallographic orientation of the in-phase rotation axis and A -site displacements in Pbnm-type perovskite films. Synchrotron diffraction measurements of EuFeO3 films under strain states ranging from 2% compressive to 0.9% tensile on cubic or rhombohedral substrates exhibit a combination of a-a+c- and a+a-c- rotational patterns. We compare the EuFeO3 behavior with previously reported experimental and theoretical work on strained Pbnm-type films on nonorthorhombic substrates, as well as additional measurements from LaGaO3,LaFeO3, and Eu0.7Sr0.3MnO3 films on SrTiO3. Compiling the results from various material systems reveals a general strain dependence in which compressive strain strongly favors a-a+c- and a+a-c- rotation patterns and tensile strain weakly favors a-a-c+ structures. In contrast, EuFeO3 films grown on Pbnm-type GdScO3 under 2.3% tensile strain take on a uniform a-a+c- rotation pattern imprinted from the substrate, despite strain considerations that favor the a-a-c+ pattern. These results point to the use of substrate imprinting as a more robust route than strain for tuning the crystallographic orientations of the octahedral rotations and A -site displacements needed to realize rotation-induced hybrid improper ferroelectricity in oxide heterostructures.

  9. Anharmonic phonons and magnons in BiFeO3

    SciTech Connect

    Delaire, Olivier A; Ma, Jie; Stone, Matthew B; Huq, Ashfia; Gout, Delphine J; Brown, Craig; Wang, Kefeng; Ren, Zhifeng

    2012-01-01

    The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed with neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.

  10. Efficient regioselective O3-monodesilylation by hydrochloric acid in cyclodextrins.

    PubMed

    Gu, Jiamin; Chen, Tong; Wang, Qifang; Chen, Tieyu; Ling, Chang-Chun

    2015-06-17

    An efficient O3-monodesilylation method has been developed for the derivatization of per-3-O-silylated cyclodextrin (CD) derivatives. Using hydrochloric acid as a reagent, the O3-monodesilylation was found to be regioselective, mild, practical and general as it can be applied to all α-, β- and γ-CDs. The advantage of the methodology is that the acid-catalyzed O3-desilylation can be carried out in a stepwise manner so that different types of functional groups can be introduced to a CD molecule at different stage of the O3-desilylations. This makes the current methodology flexible and versatile. This current methodology constitutes one of the few methodologies available for the regioselective modification of CDs at the secondary face.

  11. Engineering multiferroism in CaMnO3.

    PubMed

    Bhattacharjee, Satadeep; Bousquet, Eric; Ghosez, Philippe

    2009-03-20

    Structural instabilities of CaMnO3 are investigated from first principles. We point out that, on top of a strong antiferrodistortive instability responsible for its orthorhombic ground state, the cubic perovskite structure of CaMnO3 also exhibits a weak ferroelectric instability. Although ferroelectricity is suppressed by antiferrodistortive motions, we show that it can be favored using strain or chemical engineering in order to make CaMnO3 multiferroic. We finally highlight that the ferroelectric instability of CaMnO3 is Mn-dominated. This illustrates that, contrary to common belief, ferroelectricity and magnetism are not necessarily exclusive but can be driven by the same cation.

  12. Interfacial Control of Magnetic Properties at LaMnO3/LaNiO3 Interfaces.

    PubMed

    Gibert, M; Viret, M; Torres-Pardo, A; Piamonteze, C; Zubko, P; Jaouen, N; Tonnerre, J-M; Mougin, A; Fowlie, J; Catalano, S; Gloter, A; Stéphan, O; Triscone, J-M

    2015-11-11

    The functional properties of oxide heterostructures ultimately rely on how the electronic and structural mismatches occurring at interfaces are accommodated by the chosen materials combination. We discuss here LaMnO3/LaNiO3 heterostructures, which display an intrinsic interface structural asymmetry depending on the growth sequence. Using a variety of synchrotron-based techniques, we show that the degree of intermixing at the monolayer scale allows interface-driven properties such as charge transfer and the induced magnetic moment in the nickelate layer to be controlled. Further, our results demonstrate that the magnetic state of strained LaMnO3 thin films dramatically depends on interface reconstructions.

  13. Stress and magnetism in LaCoO3 films

    NASA Astrophysics Data System (ADS)

    Demkov, Alex

    2012-02-01

    Cobaltates exhibit a wide variety of exciting electronic properties resulting from strong electron correlations; these include superconductivity, giant magnetoresistance, metal-insulator transition, and strong thermoelectric effects. This makes them an excellent platform to study correlated electron physics, as well as being useful for various applications in electronics and sensors. In the ground state in the bulk, the prototypical complex cobalt oxide LaCoO3 is in a spin-compensated low-spin state (t2g^6), which results in the ground state being nonmagnetic. In a recent experiment, Fuchs et al. (Phys. Rev. B 75, 144402 (2007)) have demonstrated that a ferromagnetic ground state could be stabilized by epitaxial tensile strain resulting in a Curie temperature (TC) of ˜90 K when LaCoO3 (LCO) is grown on SrTiO3 (STO) using pulsed laser deposition. In this talk I will discuss our recent successful attempt to integrate a LCO/STO heterostructure with Si (001) using molecular beam epitaxy. We have grown strained, epitaxial LaCoO3 on (100)-oriented silicon using a single crystal STO buffer (Appl.Phys. Lett. 98, 053104 (2011)). SQUID magnetization measurements confirm that the ground state of the strained LaCoO3 is ferromagnetic with a TC of 85 K. Our first-principles calculations of strained LaCoO3 using the LSDA+U method show that beyond biaxial tensile strain of 2.5% local magnetic moments, originating from the high spin state of Co^3+, emerge in a low spin Co^3+ matrix. Ferromagnetism found in tensile-strained LaCoO3 is tightly coupled to the material's orbital and structural response to applied strain. Theoretical calculations show how LaCoO3 accommodates tensile strain via spin state disproportionation, resulting in an unusual sublattice structure.

  14. Cation Intermixing And Electronic Deviations At The Insulating LaCrO3/SrTiO3(001) Interface

    SciTech Connect

    Colby, Robert J.; Qiao, Liang; Zhang, Hongliang; Shutthanandan, V.; Ciston, Jim; Kabius, Bernd C.; Chambers, Scott A.

    2013-10-29

    The interface between polar perovskite LaCrO3 (LCO) and non-polar SrTiO3(001) (STO), grown by molecular beam epitaxy, is examined using a combination of electron microscopy, spectroscopy, and Rutherford backscattering spectrometry. The LCO/STO(001) interface is insulating, a potential counter example for the claim that polar/nonpolar perovskite interfaces should be conductive by virtue of an electronic reconstruction to alleviate the polar discontinuity. The A-site cations of these ABO3 perovskites are found to diffuse across the interface to a greater extent than the B-site cations, based on high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS). The B-site cation valences are shown to be partially reduced near the interface by analysis of EELS near-edge structures. The location and direction of these electronic modifications do not intuitively compensate the charge imbalance imposed by uneven cation inter-diffusion, and yet both the film and interface are insulating. These results highlight the importance of both the physical and electronic structure of such complex interfaces in determining their characteristics. Furthermore, the extent of inter-diffusion is shown to increase with increasing LCO film thickness, suggesting a potential mechanism behind the critical thickness for interfacial conductivity in other polar/non-polar oxide systems, and a fundamental limitation on the formation of abrupt interfaces in LCO/STO(001).

  15. The loading effect of silver nanoparticles prepared by impregnation and solution plasma methods on the photocatalysis of Ga2O3

    NASA Astrophysics Data System (ADS)

    Yamamoto, Muneaki; Yoshida, Tomoko; Yamamoto, Naoto; Nomoto, Toyokazu; Yagi, Shinya

    2015-09-01

    Ag loaded Ga2O3 (Ag/Ga2O3) photocatalysts for the reduction of CO2 with water have been prepared by impregnation (IMP) and two types of solution plasma methods (SPM1 and SPM2). Using X-ray absorption near edge structure (XANES) and Fourier transform infrared (FT-IR) spectroscopies, we have investigated the local electronic structures of Ag/Ga2O3 photocatalysts as well as the adsorption behaviors of CO2 during the reaction. Both Ag L3-edge and O K-edge XANES analyses reveal the Ag-Ga2O3 interaction, i.e., the charge-transfer from O atoms to Ag atoms, by demonstrating the decrease in the unoccupied Ag 4d-state density and increase in the unoccupied O 2p-state density. The strength of the interaction depends on the preparation method, and increases in the order of Ag/Ga2O3 (SPM2), Ag/Ga2O3 (SPM1) and Ag/Ga2O3 (IMP). In addition, FT-IR measurements have disclosed that Ag/Ga2O3 (IMP) obtains a larger amount of strongly basic sites as a result of the strongest interaction between Ag and Ga2O3. Although the amount of the adsorbed CO2 is different in each Ag/Ga2O3 sample, in the following formation process of bidentate formate species, no remarkable difference is detected among all samples. The bidentate formate species are likely to interact with H2O molecules to produce CO under photoirradiation, and this process would be affected by the strength of the Ag-Ga2O3 interaction, because this reaction hardly proceeds over Ag/Ga2O3 (SPM2) having the weakest Ag-Ga2O3 interaction.

  16. Er3+ diffusion in LiTaO3 crystal

    NASA Astrophysics Data System (ADS)

    Zhang, De-Long; Zhang, Qun; Wong, Wing-Han; Pun, Edwin Yue-Bun

    2015-12-01

    Some Er3+-doped LiTaO3 plates were prepared by in-diffusion of Er-metal film locally coated onto congruent Z-cut substrate in air at a wide temperature range from 1000 to 1500 °C. After diffusion, Er3+-doping effect on LiTaO3 refractive index and Li2O out-diffusion arising from Er3+ in-diffusion were studied at first. Refractive indices at the doped and undoped surface parts were measured by prism coupling technique and the surface composition was estimated. The results show that Er3+ dopant has small contribution to the LiTaO3 index. Li2O out-diffusion is slight (Li2O content loss <0.3 mol%) for the temperature below 1300 °C while is moderate (Li2O content loss <0.6 mol%) for the temperature above 1400 °C. The Er3+ profile was studied by secondary ion mass spectrometry. The study shows that the diffused Er3+ ions follow either a complementary error function or a Gaussian profile. Characteristic parameters including diffusivity, diffusion constant, activation energy, solubility, solubility constant and heat of solution were obtained and compared with the LiNbO3 case. The comparison shows that the diffusivity and solubility in LiTaO3 are considerably smaller than in LiNbO3 because of the difference of Ta and Nb in atomic weight.

  17. FoxO3a and disease progression

    PubMed Central

    Nho, Richard Seonghun; Hergert, Polla

    2014-01-01

    The Forkhead box O (FoxO) family has recently been highlighted as an important transcriptional regulator of crucial proteins associated with the many diverse functions of cells. So far, FoxO1, FoxO3a, FoxO4 and FoxO6 proteins have been identified in humans. Although each FoxO family member has its own role, unlike the other FoxO families, FoxO3a has been extensively studied because of its rather unique and pivotal regulation of cell proliferation, apoptosis, metabolism, stress management and longevity. FoxO3a alteration is closely linked to the progression of several types of cancers, fibrosis and other types of diseases. In this review, we will examine the function of FoxO3a in disease progression and also explore FoxO3a’s regulatory mechanisms. We will also discuss FoxO3a as a potential target for the treatment of several types of disease. PMID:25225602

  18. FoxO3 suppresses Myc-driven lymphomagenesis

    PubMed Central

    Vandenberg, C J; Motoyama, N; Cory, S

    2016-01-01

    This study demonstrates, for the first time, that loss of a single forkhead box class O (FoxO) transcription factor, can promote lymphomagenesis. Using two different mouse models, we show that FoxO3 has a significant tumour-suppressor function in the context of Myc-driven lymphomagenesis. Loss of FoxO3 significantly accelerated myeloid tumorigenesis in vavP-MYC10 transgenic mice and B lymphomagenesis in Eμ-myc transgenic mice. Tumour analysis indicated that the selective pressure for mutation of the p53 pathway during Eμ-myc lymphomagenesis was not altered. Frank tumours were preceded by elevated macrophage numbers in FoxO3−/− vavP-MYC10 mice but, surprisingly, pre-B-cell numbers were relatively normal in healthy young FoxO3−/−Eμ-myc mice. In vitro assays revealed enhanced survival capacity of Myc-driven cells lacking FoxO3, but no change in cell cycling was detected. The loss of FoxO3 may also be affecting other tumour-suppressive functions for which FoxO1/4 cannot fully compensate. PMID:26764572

  19. Electronic structure of the [MgO3]+ cation

    NASA Astrophysics Data System (ADS)

    Ben Houria, A.; Yazidi, O.; Jaidane, N.; Senent, M. L.; Hochlaf, M.

    2012-01-01

    Accurate ab initio calculations are performed to investigate the stable isomers of [MgO3]+ and its lowest electronic states at both molecular and asymptotic regions. The calculations are done using large basis sets and configuration interaction methods including the complete active space self-consistent field, the internally contracted multi-reference configuration interaction, the standard coupled cluster (RCCSD(T)) approaches and the newly implemented explicitly correlated coupled cluster method (RCCSD(T)-F12). The presence of three stable forms is predicted: a cyclic global minimum c-MgO3+, which is followed by a quasi-linear isomer, l2-MgO3+. A third isomer of Cs symmetry (l1-MgO3+) is also found. Moreover, we computed the one-dimensional cuts of the six-dimensional potential energy surfaces of the lowest doublet and quartet electronic states of [MgO3]+ along the RMgO and ROO stretching coordinates covering both the molecular and the asymptotic regions. These curves are used later for discussing the metastability of this cation and to propose plausible mechanisms for the Mg+ + O3 atmospherically important ion-molecule reaction and related reactive channels.

  20. Phonon dispersion relation in PbTiO3

    NASA Astrophysics Data System (ADS)

    Tomeno, Izumi; Fernandez-Baca, Jaime; Marty, Karol; Oka, Kunihiko; Tsunoda, Yorihiko

    2013-03-01

    The phonon dispersion relations for cubic PbTiO3 (Tc = 763 K) have been determined along the high symmetry directions at T = 793 K using inelastic neutron scattering. A set of the TO branches drops significantly toward the zone center. This is quite different from the soft mode anomaly in the Pb-based relaxors, named as the waterfall phenomenon. The zone-center TO mode energy softens with decreasing temperature from 1173 to 793 K. The TA branch along [ ξ , ξ , ξ ] shows significant softening around ξ = 0.25 and 0.5. These two anomalies persist up to 1173 K and are weakly temperature dependent. Moreover, the TA branches along [1,0,0] and [1,1,0] soften in the entire q range as the temperature approaches Tc. Although the phonon softening occurs simultaneously, the softening of the zone center TO mode plays an important role in the single phase transition. The phonon dispersion relations for cubic and tetragonal PbTiO3 are discussed in connection with BaTiO3, KTaO3, Pb(Zn1/3Nb2/3)O3, and Pb(Mg1/3Nb2/3)O3. U.S.-Japan cooperative program on neutron scattering

  1. Linking large piezoelectric coefficients to highly flexible polarization of lead free BaTiO3-CaTiO3-BaZrO3 ceramics

    NASA Astrophysics Data System (ADS)

    Benabdallah, F.; Simon, A.; Khemakhem, H.; Elissalde, C.; Maglione, M.

    2011-06-01

    We report a large d31 piezoelectric coefficient and corresponding electromechanical coupling factor, Kp, of 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 (BCTZ50) and 0.68Ba(Zr0.2Ti0.8)O3-0.32(Ba0.7Ca0.3)TiO3 (BCTZ32) lead-free piezoceramics. The piezoelectric coefficient, d31, reaches a high value of 200 pC/N for BCTZ50 at room temperature which is comparable to the one of the soft PZT. This confirms the previously reported d33 for the same material. A useful way to achieve such performances at the expense of a smaller thermal budget is suggested, enabling better control of the ceramics composition and microstructure. Based on pyroelectric and ferroelectric hysteresis loops measurements, we show that such outstanding properties are likely due to the high flexibility of polarization under thermal and electric stresses.

  2. Roles of γ-Fe 2O 3 in fly ash for mercury removal: Results of density functional theory study

    NASA Astrophysics Data System (ADS)

    Guo, Pan; Guo, Xin; Zheng, Chuguang

    2010-09-01

    First-principle calculations based on density function theory (DFT) are used to clarify the roles of γ-Fe 2O 3 in fly ash for removing mercury from coal-fired flue gases. In this study, the structure of key surface of γ-Fe 2O 3 is modeled and spin-polarized periodic boundary conditions with the partial relaxation of atom positions are employed. Binding energies of Hg on γ-Fe 2O 3 (0 0 1) perfect and defective surfaces are calculated for different adsorption sites and the potential adsorption sites are predicted. Additionally, electronic structure is examined to better understand the binding mechanism. It is found that mercury is preferably adsorbed on the bridge site of γ-Fe 2O 3 (0 0 1) perfect surface, with binding energy of -54.3 kJ/mol. The much stronger binding occurs at oxygen vacancy surface with binding energy of -134.6 kJ/mol. The calculations also show that the formation of hybridized orbital between Hg and Fe atom of γ-Fe 2O 3 (0 0 1) is responsible for the relatively strong interaction of mercury with the solid surface, which suggests that the presently described processes are all noncatalytic in nature. However, this is a reflection more of mercury's amalgamation ability.

  3. Structural and dynamical studies of δ-Bi2O3 oxide ion conductors . IV. An EXAFS investigation of (Bi2O3)1-x(M2O3)x for M = Y, Er, and Yb

    NASA Astrophysics Data System (ADS)

    Battle, P. D.; Catlow, C. R. A.; Chadwick, A. V.; Cox, P.; Greaves, G. N.; Moroney, L. M.

    1987-08-01

    The local structural environments of Bi 3+ and dopant cations in the fluorite-structured solid solutions ( M2O 3) x(Bi 2O 3) 1- x ( M = Y, Er, Yb) have been studied using extended X-ray absorption fine structure techniques. The results show that the BiO shell is heavily disordered with an asymmetric radial distribution function. The Bi 3+ ion tends to be displaced from its centrosymmetric, cube center site. The first coordination shell of the dopant is comparatively ordered. Varying the dopant cation has a small effect on the local structural environment and increasing the dopant concentration causes a small increase in the degree of local order. Data obtained over a range of temperatures show that the large anisotropy in the BiO shell is attributable to static displacements from the perfect lattice sites. The degree of correlation between the thermal vibrations of the anion sublattice and those of the Bi atoms differs from that observed between those of the anion sublattice and the dopant atoms; the significance of this for ionic conductivity is discussed.

  4. Ferroelectric Metal in Tetragonal BiCoO3/BiFeO3 Bilayers and Its Electric Field Effect.

    PubMed

    Yin, Li; Mi, Wenbo; Wang, Xiaocha

    2016-02-03

    By first-principles calculations we investigate the electronic structure of tetragonal BiCoO3/BiFeO3 bilayers with different terminations. The multiferroic insulator BiCoO3 and BiFeO3 transform into metal in all of three models. Particularly, energetically favored model CoO2-BiO exhibits ferroelectric metallic properties, and external electric field enhances the ferroelectric displacements significantly. The metallic character is mainly associated to eg electrons, while t2g electrons are responsible for ferroelectric properties. Moreover, the strong hybridization between eg and O p electrons around Fermi level provides conditions to the coexistence of ferroelectric and metallic properties. These special behaviors of electrons are influenced by the interfacial electronic reconstruction with formed Bi-O electrovalent bond, which breaks OA-Fe/Co-OB coupling partially. Besides, the external electric field reverses spin polarization of Fe/Co ions efficiently, even reaching 100%.

  5. Ferroelectric Metal in Tetragonal BiCoO3/BiFeO3 Bilayers and Its Electric Field Effect

    PubMed Central

    Yin, Li; Mi, Wenbo; Wang, Xiaocha

    2016-01-01

    By first-principles calculations we investigate the electronic structure of tetragonal BiCoO3/BiFeO3 bilayers with different terminations. The multiferroic insulator BiCoO3 and BiFeO3 transform into metal in all of three models. Particularly, energetically favored model CoO2-BiO exhibits ferroelectric metallic properties, and external electric field enhances the ferroelectric displacements significantly. The metallic character is mainly associated to eg electrons, while t2g electrons are responsible for ferroelectric properties. Moreover, the strong hybridization between eg and O p electrons around Fermi level provides conditions to the coexistence of ferroelectric and metallic properties. These special behaviors of electrons are influenced by the interfacial electronic reconstruction with formed Bi-O electrovalent bond, which breaks OA-Fe/Co-OB coupling partially. Besides, the external electric field reverses spin polarization of Fe/Co ions efficiently, even reaching 100%. PMID:26839049

  6. Charge transfer and hybrid ferroelectricity in (YFeO3)n/(YTiO3)n magnetic superlattices

    NASA Astrophysics Data System (ADS)

    Zhang, Huimin; Weng, Yakui; Yao, Xiaoyan; Dong, Shuai

    2015-05-01

    Interfaces in oxide heterostructures always provide a fertile ground for emergent properties. Charge transfer from a high energy band to a low energy opponent is naturally expected, as occurring in semiconductor p -n junctions. In this study, several exceptional physical phenomena have been predicted in (YFeO3)n/(YTiO3)n superlattices. First, the charge transfer between these Mott insulators is in opposition to the intuitive band alignment scenario. Second, hybrid ferroelectricity with a moderate polarization is generated in the n =2 magnetic superlattice. Furthermore, the ferroelectric-type distortion can persist even if the (A B O3 )2/(A B'O3 )2 system turns out to be metallic, rending possible metallic ferroelectricity.

  7. Micrometer-Scale Ballistic Transport of Electron Pairs in LaAlO3/SrTiO3 Nanowires

    NASA Astrophysics Data System (ADS)

    Tomczyk, Michelle; Cheng, Guanglei; Lee, Hyungwoo; Lu, Shicheng; Annadi, Anil; Veazey, Joshua P.; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Eom, Chang-Beom; Levy, Jeremy

    2016-08-01

    High-mobility complex-oxide heterostructures and nanostructures offer new opportunities for extending the paradigm of quantum transport beyond the realm of traditional III-V or carbon-based materials. Recent quantum transport investigations with LaAlO3/SrTiO3 -based quantum dots reveal the existence of a strongly correlated phase in which electrons form spin-singlet pairs without becoming superconducting. Here, we report evidence for the micrometer-scale ballistic transport of electron pairs in quasi-1D LaAlO3/SrTiO3 nanowire cavities. In the paired phase, Fabry-Perot-like quantum interference is observed, in sync with conductance oscillations observed in the superconducting regime (at a zero magnetic field). Above a critical magnetic field Bp, the electron pairs unbind and the conductance oscillations shift with the magnetic field. These experimental observations extend the regime of ballistic electronic transport to strongly correlated phases.

  8. Are lithium niobate (LiNbO3) and lithium tantalate (LiTaO3) ferroelectrics bioactive?

    PubMed

    Vilarinho, Paula Maria; Barroca, Nathalie; Zlotnik, Sebastian; Félix, Pedro; Fernandes, Maria Helena

    2014-06-01

    The use of functional materials, such as ferroelectrics, as platforms for tissue growth in situ or ex situ, is new and holds great promise. But the usage of materials in any bioapplication requires information on biocompatibility and desirably on bioactive behavior when bone tissue engineering is envisaged. Both requirements are currently unknown for many ferroelectrics. Herein the bioactivity of LiNbO3 and LiTaO3 is reported. The formation of apatite-like structures on the surface of LiNbO3 and LiTaO3 powders after immersion in simulated body fluid (SBF) for different soaking periods indicates their bioactive potential. The mechanism of apatite formation is suggested. In addition, the significant release of lithium ions from the ferroelectric powders in the very first minutes of soaking in SBF is examined and ways to overcome this likely hurdle addressed.

  9. Micrometer-Scale Ballistic Transport of Electron Pairs in LaAlO_{3}/SrTiO_{3} Nanowires.

    PubMed

    Tomczyk, Michelle; Cheng, Guanglei; Lee, Hyungwoo; Lu, Shicheng; Annadi, Anil; Veazey, Joshua P; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Eom, Chang-Beom; Levy, Jeremy

    2016-08-26

    High-mobility complex-oxide heterostructures and nanostructures offer new opportunities for extending the paradigm of quantum transport beyond the realm of traditional III-V or carbon-based materials. Recent quantum transport investigations with LaAlO_{3}/SrTiO_{3}-based quantum dots reveal the existence of a strongly correlated phase in which electrons form spin-singlet pairs without becoming superconducting. Here, we report evidence for the micrometer-scale ballistic transport of electron pairs in quasi-1D LaAlO_{3}/SrTiO_{3} nanowire cavities. In the paired phase, Fabry-Perot-like quantum interference is observed, in sync with conductance oscillations observed in the superconducting regime (at a zero magnetic field). Above a critical magnetic field B_{p}, the electron pairs unbind and the conductance oscillations shift with the magnetic field. These experimental observations extend the regime of ballistic electronic transport to strongly correlated phases. PMID:27610871

  10. Origin of the enhanced piezoelectric thermal stability in BiScO3-PbTiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Kong, Lingping; Liu, Gang; Zhang, Shujun; Yang, Wenge

    2015-06-01

    BiScO3-PbTiO3 single crystals were reported to possess high piezoelectric coefficient of 1200 pC/N and Curie temperature of >400 °C, exhibiting excellent thermal stability of properties up to 350 °C. However, the origin of the thermal stability is yet unclear. In this research, high resolution synchrotron-based technique was used to study the temperature driven structural evolution in BiScO3-PbTiO3 system, where two competing symmetries and local distortion were observed, accounting for the high piezoelectric activity. A strong correlation between thermal stability of structure and temperature-dependent properties was established, which will benefit the design of ferroelectric materials with broad temperature usage range.

  11. Sputtering of Al2O3 and LiNbO3 in the electronic stopping region

    NASA Technical Reports Server (NTRS)

    Qiu, Y.; Griffith, J. E.; Tombrello, T. A.

    1982-01-01

    Because of recent interest in the role played by the thermal properties of materials that exhibit high energy sputtering, Al2O3 and LiNbO3 were sputtered with chlorine ions at energies between 3 MeV and 25 MeV. To detect the sputtered Al and Nb we employ thin carbon catcher foils, which are analyzed with Rutherford scattering in the forward direction. Al surface densities of 10 to the 14th/sq cm and Nb surface densities of 10 to the 13th/sq cm are easily measured. The sputtering yields for both Al2O3 and LiNbO3 increase rapidly with increasing chlorine energy, and the Al and Nb yields are both approximately 0.2 at 20 MeV. Tests for dose, beam current, and contamination effects will be discussed.

  12. The gas sensitive material Cr (2-x) Ti (x) O3

    NASA Astrophysics Data System (ADS)

    Niemeyer, Dirk

    multiplet splitting, proposed to originate from local magnetic moments at the Cr site. A CrVI state is also detected. Substituting titanium decreases the proportion of surface CrVI and reduces the splitting of the Cr 2p3/2 state. A reappearance of the splitting at higher Ti concentrations was observed, speculatively attributed to ordering of the surface structure. Although currently used solely in oxygen-containing environments CTO can also detect gases in a nitrogen atmosphere. Decreasing oxygen partial pressure caused a large decline in conductivity that is explained by removal of oxygen surface acceptor states. Whilst carbon monoxide and ethanol react with the few remaining acceptor states causing a large gas response, H2S sulphates the surface. The stable gas response to H2S is caused by reversible adsorption of H2S molecules on a CrIII site, forming a new surface trap state. Replacing titanium in CTO by vanadium, iron, magnesium or manganese resulted in a significantly reduced gas response to carbon monoxide. These elements did not form a solid solution with the Cr2O3 lattice. However, if introduced as additional elements in CTO manganese and iron dopants crystallised as MnCr2O4 and (Cr0.4Fe0.6)2O3 impurity phases and reduced the amount of chromium. A significantly reduced response to water vapour relative to the response to carbon monoxide was observed with these materials.

  13. Impedance spectroscopy of V2O5-Bi2O3-BaTiO3 glass-ceramics

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

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

  14. Stomata open at night in pole-sized and mature ponderosa pine: implications for O3 exposure metrics.

    PubMed

    Grulke, N E; Alonso, R; Nguyen, T; Cascio, C; Dobrowolski, W

    2004-09-01

    Ponderosa pine (Pinus ponderosa Dougl. ex Laws.) is widely distributed in the western USA. We report the lack of stomatal closure at night in early summer for ponderosa pine at two of three sites investigated. Trees at a third site with lower nitrogen dioxide and nitric acid exposure, but greater drought stress, had slightly open stomata at night in early summer but closed stomata at night for the rest of the summer. The three sites had similar background ozone exposure during the summer of measurement (2001). Nighttime stomatal conductance (gs) ranged from one tenth to one fifth that of maximum daytime values. In general, pole-sized trees (< 40 years old) had greater nighttime gs than mature trees (> 250 years old). In late summer, nighttime gs was low (< 3.0 mmol H2O m(-2) s(-1)) for both tree size classes at all sites. Measurable nighttime gs has also been reported in other conifers, but the values we observed were higher. In June, nighttime ozone (O3) uptake accounted for 9, 5 and 3% of the total daily O3 uptake of pole-sized trees from west to east across the San Bernardino Mountains. In late summer, O3 uptake at night was < 2% of diel uptake at all sites. Nocturnal O3 uptake may contribute to greater oxidant injury development, especially in pole-sized trees in early summer. PMID:15234897

  15. Epitaxial strain and its relaxation at the LaAlO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Liu, Guozhen; Lei, Qingyu; Wolak, Matthäus A.; Li, Qun; Chen, Long-Qing; Winkler, Christopher; Sloppy, Jennifer; Taheri, Mitra L.; Xi, Xiaoxing

    2016-08-01

    A series of LaAlO3 thin films with different thicknesses were deposited by pulsed laser deposition at temperatures from 720 °C to 800 °C. The results from grazing incidence x-ray diffraction and reciprocal space mapping indicate that a thin layer of LaAlO3 adjacent to the SrTiO3 substrate remains almost coherently strained to the substrate, while the top layer starts to relax quickly above a certain critical thickness, followed by a gradual relaxation at larger film thickness when they are grown at lower temperatures. The atomic force microscopy results show that the fast relaxation is accompanied by the formation of cracks on the film surface. This can be ascribed to the larger energy release rate when compared with the resistance of LaAlO3 to cracking, according to calculations from the Griffith fracture theory. For films grown at 720 °C, a drop in sheet resistance by two orders of magnitude is observed when the top layer starts to relax, indicating a relationship between the strain and the conductivity of the two-dimensional electron gas at the LaAlO3/SrTiO3 interface. The strain engineered by growth temperature provides a useful tool for the manipulation of the electronic properties of oxide heterointerfaces.

  16. Spin injection and spin-charge conversion in LaAlO3/SrTiO3

    NASA Astrophysics Data System (ADS)

    Bibes, Manuel; Lesne, Edouard; Rojas Sanchez, Juan Carlos; Oyarzun, Simon; Fu, Yu; Reyren, Nicolas; Jamet, Mathieu; Jacquet, Eric; Barthelemy, Agnes; George, Jean-Marie; Fert, Albert; Jaffres, Henri; Vila, Laurent

    2015-03-01

    The perovskite oxides family provides materials to efficiently generate and control spin polarized currents using respectively half-metallic ferromagnets such as mixed-valence manganites or ferroelectrics and multiferroics. More recently channel materials to transport spin information have also emerged. These include the LaAlO3/SrTiO3 two-dimensional electron system (2DES) which, in addition, possesses a gate-tunable spin-orbit coupling. A limitation of this system is however the minimum LaAlO3 thickness of 4 uc required for 2DES formation. In this presentation we will show that this thickness can be reduced if the LaAlO3 is capped by appropriate metals. We will also present different approaches to inject spins in these engineered LaAlO3/SrTiO3 2DES and introduce detection schemes taking advantage of efficient spin-charge conversion via interfacial spin-orbit effects. Support by ERC Consolidator Grant MINT (No. 615759) is acknowledged.

  17. Stoichiometry-driven metal-to-insulator transition in NdTiO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Xu, Peng; Phelan, Daniel; Seok Jeong, Jong; Andre Mkhoyan, K.; Jalan, Bharat

    2014-02-01

    By controlling stoichiometry via a hybrid molecular beam epitaxy approach, we report on the study of thin film growth and the electronic transport properties of phase-pure, epitaxial NdTiO3/SrTiO3 heterostructures grown on (001) (La0.3Sr0.7)(Al0.65Ta0.35)O3 (LSAT) substrates as a function of cation stoichiometry in NdTiO3. Despite the symmetry mismatch between bulk NdTiO3 and the substrate, NdTiO3 films grew in an atomic layer-by-layer fashion over a range of cation stoichiometry; however amorphous films resulted in cases of extreme cation non-stoichiometry. Temperature-dependent sheet resistance measurements were consistent with Fermi-liquid metallic behavior over a wide temperature range, but revealed a remarkable crossover from metal-to-insulator (M-I) type behavior at low temperatures for all compositions. A direct correlation between cation stoichiometry, transport behavior, and the temperature of M-I transition is established.

  18. Ultrafast magneto-optical spectroscopy of BiFeO3-BaTiO3 based structures

    NASA Astrophysics Data System (ADS)

    Magill, Brenden A.; Bishop, Michael; McGill, Stephen A.; Zhou, Yuon; Chopra, Anuj; Maurya, Deepam; Song, Hyun-Cheol; Priya, Shashank; Khodaparast, Giti A.

    2015-09-01

    Ultrafast optical spectroscopy can provide insight into fundamental microscopic interactions, dynamics and the coupling of several degrees of freedom. Pump/ probe studies can reveal the answer to questions like "What are the achievable switching speeds in multiferroics?", "What is the influence of the crystallographic orientation and domain states on the available switching states?", and "What is the effect of the hetrostructure on promoting the coupling between the varying field excitations?". In this presentation, we report on two color (400/800nm) ultrafast pump-probe differential reflectance spectroscopy of BiFeO3-BaTiO3 structures to probe the coupling between optical and acoustic phonons to spin waves. The data presented here is a combination of different transient reflectivity measurements to probe both the carrier and spin dynamics. The (001)-BiFeO3-BaTiO3 thin films were prepared using pulsed laser deposition on vicinal SrTiO3 substrates using La0.70 Sr0.30MnO3 bottom electrodes. Crystal orientation and topography were analyzed by x-ray diffraction and atomic force microscopy. . Our results are important to developing devices on the basis of this material system. This work was supported by the AFOSR through grant FA9550-14-1-0376,NSF-Career Award DMR-0846834, and the Virginia Tech Institute for Critical Technology and Applied Science.

  19. Concentration- and Temperature-Induced Phase Transitions in PrAlO3-SrTiO3 System

    NASA Astrophysics Data System (ADS)

    Vasylechko, Leonid; Stepchuk, Roman; Prots, Yuri; Rosner, Helge

    2016-01-01

    Single-phase mixed aluminates-titanates Pr1- x Sr x Al1- x Ti x O3 ( x = 0.1, 0.2, 0.3, 0.5, 0.7) with rhombohedral perovskite structure were prepared by solid-state reaction technique at 1823-1873 K. Morphotropic rhombohedral-to-cubic phase transition in Pr1- x Sr x Al1- x Ti x O3 series is predicted to occur at x = 0.88. The temperature-induced structural phase transition R overline{3} c - Pm overline{3} m in Pr0.5Sr0.5Al0.5Ti0.5O3, detected at 930 K by in situ high-temperature X-ray synchrotron powder diffraction, occurs at considerably lower temperature as the corresponding transformation in the parent compound PrAlO3 (1770 K). Such remarkable drop of the transition temperature is explained by gradual decrease of the perovskite structure deformation in the Pr1- x Sr x Al1- x Ti x O3 series with increasing Sr and Ti contents as a consequence of the increasing Goldschmidt tolerance factor. For Pr0.3Sr0.7Al0.3Ti0.7O3 phase, a sequence of the low-temperature phase transformation R overline{3} c - Immb( C2/ m) - I4/ mcm was detected.

  20. Emergent phenomena in LaAlO3 /GdAlO3 superlattices by breaking inversion symmetry

    NASA Astrophysics Data System (ADS)

    Zhang, Hai-Tian; Haislmaier, Ryan; Lapano, Jason; Gopalan, Venkatraman; Engel-Herbert, Roman

    2015-03-01

    Recently, tremendous interest has been focused on materials by design, where hybrid improper ferroelectricity was proposed from first principles predictions in perovskite superlattice structures (ABO3)n/(A'BO3)m , which is directly coupled to the oxygen octahedral rotations [1]. Such oxygen octahedron rotations are anticipated stable at high temperatures, thus being a potential materials candidate for high temperature piezoelectric sensor and transducer applications. In this talk we will present the homoepitaxial growth of LaAlO3 and GaAlO3 by hybrid molecular beam epitaxy, where a volatile aluminium alkoxide precursor and elemental La/Gd (flux 2 × 1013 cm-2s-1) were co-supplied in the presence of an oxygen plasma (RF plasma power 250 W). Growth mode, film surface morphology and defect type for films grown under La/Gd-rich and Al-rich growth conditions will be discussed and directly related to structure and properties characterization of the LaAlO3 and GaAlO3. Changes in the octahedral tilts, probed by scanning transmission electron microscopy in the proximity of GdAlO3/LaAlO3 interface are discussed and compared to first principle predictions.

  1. Lattice crossover and phase transitions in NdAlO3-GdAlO3 system

    NASA Astrophysics Data System (ADS)

    Vasylechko, L.; Shmanko, H.; Ohon, N.; Prots, Yu.; Hoffmann, S.; Ubizskii, S.

    2013-02-01

    Phase and structural behaviour in the (1-x)NdAlO3-xGdAlO3 system in a whole concentration range has been studied by means of in situ high-resolution X-ray synchrotron powder diffraction technique and differential thermal analysis. Two kinds of solid solutions Nd1-xGdxAlO3 have been found at room temperature: one with rhombohedral (x<0.15) and one with orthorhombic (x≥0.20) symmetry. A morphotropic phase transition occurs at x≈0.15, where the co-existence of both phases was observed. Peculiarity of the orthorhombic solid solution is the lattice parameter crossover at the compositions with x=0.33, 0.49 and 0.62. First-order structural transition Pbnm↔R3¯с has been detected both from in situ powder diffraction and thermal analysis data. Continuous phase transformation R3¯с↔Pm3¯m above 2140 K has been predicted for Nd-rich sample Nd0.85Gd0.15AlO3 from the extrapolation of high-temperature behaviour of the lattice parameter ratio of the rhombohedral phase. Based on the experimental data, the phase diagram of the pseudo-binary system NdAlO3-GdAlO3 has been constructed.

  2. Structural phase transitions in Ti-doped Bi1-xNdxFeO3 ceramics

    NASA Astrophysics Data System (ADS)

    Kalantari, Kambiz; Sterianou, Iasmi; Sinclair, Derek C.; Bingham, Paul A.; Pokorný, Jan; Reaney, Ian M.

    2012-03-01

    Recently, it was demonstrated that donor doping with Ti on the B-site significantly reduces the conductivity in Bi0.85Nd0.15FeO3 ceramics [Kalantari et al., Adv. Funct. Mater. 21, 3737 (2011)]. In this contribution, the phase transitions as a function of Nd concentration are investigated in 3% Ti doped Bi1-xNdxFeO3 ceramics. Paraelectric (PE) to ferroelectric (FE) transitions were observed for compositions with x ≤ 0.125 which manifested themselves as peaks in permittivity. In contrast, PE to antiferroelectric (AFE) transitions for 0.15 ≤ x ≤ 0.20 gave rise to a step-like change in the permittivity with x = 0.25 exhibiting no sharp anomalies and remaining PE until room temperature. The large volume change at the PE to FE/AFE transitions, reported by Levin and co-workers [Phys. Rev. B 81, 020103 (2011)] and observed here by dilatometry, coupled with their first-order character constrain the transitions to occur uniformly throughout the material in an avalanche-like manner. Hence, the anomalies in DSC, permittivity and thermal expansion occur over a commensurately narrow temperature interval. However, despite the large volume change and eye-catching anomalies in DSC, the latent heats for the transitions in Ti-doped Bi1-xNdxFeO3 are similar to Pb(Zr,Ti)O3 (1-3 kJ/mol) with each an order of magnitude greater than BaTiO3 (˜0.2 kJ/mol). A broad frequency dependent dielectric anomaly of unknown origin in the temperature range 250-450 °C was also observed in all samples.

  3. Phase Constitution in Sr and Mg doped LaGaO3 System

    SciTech Connect

    Zheng, F; Bordia, Rajendra K.; Pederson, Larry R.

    2004-01-03

    Sr and Mg doped lanthanum gallate perovskites (La1-xSrxGa1-yMgyO3-delta, shortened as LSGM-XY where X and Y are the doping levels in mole percentage (mol%) at the La- or A-site and the Ga- or B-site, respectively) are promising electrolyte materials for intermediate temperature solid oxide fuel cells (SOFCs). In this study, we have investigated the primary perovskites as well as the secondary phases formed in terms of doping content changes and A/B ratio variations in these materials. Fifteen powder compositions (three doping levels, X = Y = 0, 0.1, and 0.2 mol; and five A/B ratios 0.95, 0.98, 1.00, 1.02, and 1.05) were synthesized by the glycine-nitrate combustion process (GNP). These powders were equilibrated by calcining at 1500 degreesC for 9 h prior to crystalline phase characterization by X-ray powder diffraction (XRD). From the results of this study and the available phase diagrams in the literature on constituent binary oxide systems, we propose a crystalline phase diagram of the La2O3-SrO-Ga2O3-MgO quaternary system at elevated temperature (1500 degreesC). (C) 2003 Elsevier Ltd. All rights reserved

  4. Crystal structures of (Mg1-x,Fex)SiO3postperovskite at high pressures

    PubMed Central

    Yamanaka, Takamitsu; Hirose, Kei; Mao, Wendy L.; Meng, Yue; Ganesh, P.; Shulenburger, Luke; Shen, Guoyin; Hemley, Russell J.

    2012-01-01

    X-ray diffraction experiments on postperovskite (ppv) with compositions (Mg0.9Fe0.1)SiO3 and (Mg0.6Fe0.4)SiO3 at Earth core-mantle boundary pressures reveal different crystal structures. The former adopts the CaIrO3-type structure with space group Cmcm, whereas the latter crystallizes in a structure with the Pmcm (Pmma) space group. The latter has a significantly higher density (ρ = 6.119(1) g/cm3) than the former (ρ = 5.694(8) g/cm3) due to both the larger amount of iron and the smaller ionic radius of Fe2+ as a result of an electronic spin transition observed by X-ray emission spectroscopy (XES). The smaller ionic radius for low-spin compared to high-spin Fe2+ also leads to an ordered cation distribution in the M1 and M2 crystallographic sites of the higher density ppv structure. Rietveld structure refinement indicates that approximately 70% of the total Fe2+ in that phase occupies the M2 site. XES results indicate a loss of 70% of the unpaired electronic spins consistent with a low spin M2 site and high spin M1 site. First-principles calculations of the magnetic ordering confirm that Pmcm with a two-site model is energetically more favorable at high pressure, and predict that the ordered structure is anisotropic in its electrical and elastic properties. These results suggest that interpretations of seismic structure in the deep mantle need to treat a broader range of mineral structures than previously considered. PMID:22223656

  5. Low temperature hydrothermal synthesis, structure and magnetic properties of RECrO3 (RE = La, Pr, Nd, Sm).

    PubMed

    Wang, Shan; Huang, Keke; Hou, Changmin; Yuan, Long; Wu, Xiaofeng; Lu, Dayong

    2015-10-21

    Perovskite structured rare-earth chromites (RECrO3) are an interesting family of functional materials due to their wide application in numerous areas. Various methods have been used to synthesize this family of materials; however, such methods usually need a high temperature crystallization process above 800 °C, and only produce polycrystalline ceramics. Herein, a series of RECrO3 single crystal samples with uniform particle sizes were prepared via a mild hydrothermal method with temperatures as low as 240-260 °C, and the synthesis conditions were studied in detail. Samples of LaCrO3, PrCrO3, and NdCrO3 were indexed to the Pnma space group, whereas SmCrO3 was indexed to Pbnm. The shapes of the crystals changed from cubic to plate as a result of the crystal lattice distortions induced by the reduction in the size of the A-site rare-earth cation. Raman spectra of the samples showed characteristic vibration modes of CrO6 clusters. Temperature dependent magnetization studies showed a transition from antiferromagnetism to paramagnetism in all the samples. Higher maximum and residual magnetization was achieved in all the hydrothermally prepared samples compared with those prepared by other methods. PMID:26374249

  6. Thermodynamic Studies on NdFeO 3(s)

    NASA Astrophysics Data System (ADS)

    Parida, S. C.; Dash, Smruti; Singh, Ziley; Prasad, R.; Jacob, K. T.; Venugopal, V.

    2002-02-01

    The enthalpy increments and the standard molar Gibbs energy of formation of NdFeO3(s) have been measured using a high-temperature Calvet microcalorimeter and a solid oxide galvanic cell, respectively. A λ-type transition, related to magnetic order-disorder transformation (antiferromagnetic to paramagnetic), is apparent from the heat capacity data at ∼687 K. Enthalpy increments, except in the vicinity of transition, can be represented by a polynomial expression: {H°m(T)-H°m(298.15 K)}/J·mol-1 (±0.7%)=-53625.6+146.0(T/K) +1.150×10-4(T/K)2 +3.007×106(T/K)-1; (298.15≤T/K ≤1000). The heat capacity, the first differential of {H°m(T)-H°m(298.15 K)} with respect to temperature, is given by Cop, m/J·K-1·mol-1=146.0+2.30×10-4(T/K)-3.007×106(T/K)-2. The reversible emf's of the cell, (-) Pt/{NdFeO3(s) +Nd2O3(s)+Fe(s)}//YDT/CSZ//{Fe(s)'FeO'(s)}/Pt(+), were measured in the temperature range from 1004 to 1208 K. It can be represented within experimental error by a linear equation: E/V:(0.1418±0.0003)-(3.890±0.023)×10-5(T/K). The Gibbs energy of formation of solid NdFeO3 calculated by the least-squares regression analysis of the data obtained in the present study, and data for Fe0.95O and Nd2O3 from the literature, is given by ΔfG°m(NdFeO3, s)/kJ·mol-1(±2.0)=-1345.9+0.2542(T/K); (1000≤T/K ≤1650). The error in ΔfG°m(NdFeO3, s, T) includes the standard deviation in emf and the uncertainty in the data taken from the literature. Values of ΔfH°m(NdFeO3, s, 298.15 K) and S°m(NdFeO3, s, 298.15 K) calculated by the second law method are -1362.5 (±6) kJ·mol-1 and 123.9 (±2.5) J·K-1·mol-1, respectively. Based on the thermodynamic information, an oxygen potential diagram for the system Nd-Fe-O was developed at 1350 K.

  7. Investigation of ferromagnetic properties in Fe/Co substituted BaSnO3 perovskite stannates

    NASA Astrophysics Data System (ADS)

    Manju, M. R.; Kumar, V. Punith; Dayal, Vijaylakshmi

    2016-11-01

    We report on structural and magnetic properties in Fe/Co substituted BaSnO3 polycrystalline samples synthesized by conventional nitrate route method. The substitution of Fe/Co at Sn site and the phase formation is confirmed by X-ray diffraction and microstructural measurements. The sample crystallizes to cubic perovskite structure indexed to Pm 3 ̅m space group. Fe/Co substituted BaSnO3 exhibit ferromagnetism at room temperature and ferromagnetic property varies gradually with increase in substitution of Co content. The observed enhancement of ferromagnetism in the studied samples can be explained due to F-Center exchange interactions. The presence of F-centers is evidenced by the electron spin resonance (ESR) spectrum on the studied samples, which also provides supporting evidence for the observed ferromagnetism.

  8. DRIFTS study of CO adsorption on praseodymium modified Pt/Al2O3

    NASA Astrophysics Data System (ADS)

    Tankov, I.; Cassinelli, W. H.; Bueno, J. M. C.; Arishtirova, K.; Damyanova, S.

    2012-10-01

    The effect of PrO2 content (1-20 wt.%) and temperature pretreatment on the structure and surface properties of PrO2-Al2O3-supported Pt catalysts was studied by XRD, XPS and DRIFTS of carbon monoxide adsorption. XRD analysis showed that platinum particle size decreases with the increase of PrO2 content for samples calcined at high temperature of 1023 K. The intensity and position of the infrared bands were strongly dependent on the praseodymium oxide content and reduction temperature. Two kinds of Pt sites (Pt0 and Ptδ+) were recorded in reduced PrO2-containing samples. A better thermal stability of the Ptsbnd CO bond in PrO2-containing samples compared to Pt/Al2O3 was observed.

  9. The effect of strontium doping on the structural and magnetic transition of YMnO3

    NASA Astrophysics Data System (ADS)

    Thakur, Rajesh K.; Thakur, Rasna; Awasthi, A. M.; Ganesan, V.; Gaur, N. K.

    2012-06-01

    A systematic study on the effect of strontium (Sr) doping in YMnO3 has been undertaken. Polycrystalline samples with composition Y1-xSrxMnO3 (x=0, 0.01) were synthesized by using high temperature solid state reaction method. The structural and thermal properties of the prepared samples have been carried out in the wide range of temperature. Our XRD reveals the single phase formation of the reported compounds in hexagonal structure with space group P63cm (JCPDS: 25-1079). The observed pointed kinks in the specific heat study are symptomatic of the probable coupling in between the electric and magnetic orders. Our specific heat curves show that the AFM transition temperature (TN) shifts to higher value with minute Sr doping to Y-site. Further, low temperature study shows independence of specific heat on magnetic field at 8T and 12T.

  10. Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3

    NASA Astrophysics Data System (ADS)

    Dixon, Charlotte A. L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip

    2015-10-01

    The thermal evolution of the crystal structure of the prototypical orthorhombic perovskite LaFeO3 has been studied in detail by powder neutron diffraction in the temperature range 25site cation displacements) are shown to display relatively 'normal' behavior, increasing with decreasing temperature, which contrasts with the anomalous behavior previously shown by the derivative Bi0.5La0.5FeO3. However, an unexpected behavior is seen in the nature of the intra-octahedral distortion, which is used to rationalize the unique occurrence of a temperature dependent crossover of the a and c unit cell metrics in this compound.

  11. Microstructural evolution in NaNbO3-based antiferroelectrics

    NASA Astrophysics Data System (ADS)

    Guo, Hanzheng; Shimizu, Hiroyuki; Randall, Clive A.

    2015-11-01

    Our recent study found that CaZrO3 doping can effectively enhance the antiferroelectric P phase in NaNbO3 ceramics, leading to a double polarization hysteresis loop characteristic of a reversible antiferroelectric ↔ ferroelectric phase transition [Shimizu et al., Dalton Trans. 44, 10763 (2015)]. Here, a thorough transmission electron microscope study was performed to illustrate the CaZrO3 doping-assisted antiferroelectricity stabilization. In parallel to the bright-field imaging and selected area electron diffraction from multiple zone axes, detailed dark-field imaging was utilized to determine the superlattice structural origins, from either oxygen octahedral tilting or antiparallel cation displacements. By analogy with Pb(Zr1-xTix)O3 and rare-earth doped BiFeO3 systems, the chemical substitutions are such as to an induced polar-to-antipolar transition that is consistent with a tolerance factor reduction. The resultant chemical pressure has a similar effect to the compressive hydrostatic pressure where the antiferroelectric state is favored over the ferroelectric state.

  12. High-Pressure Polymorph of NaBiO3.

    PubMed

    Naa, Octavianti; Kumada, Nobuhiro; Miura, Akira; Takei, Takahiro; Azuma, Masaki; Kusano, Yoshihiro; Oka, Kengo

    2016-06-20

    A new high-pressure polymorph of NaBiO3 (hereafter β-NaBiO3) was synthesized under the conditions of 6 GPa and 600 °C. The powder X-ray diffraction pattern of this new phase was indexed with a hexagonal cell of a = 9.968(1) Å and c = 3.2933(4) Å. Crystal structure refinement using synchrotron powder X-ray diffraction data led to RWP = 8.53% and RP = 5.55%, and the crystal structure was closely related with that of Ba2SrY6O12. No photocatalytic activity for phenol decomposition was observed under visible-light irradiation in spite of a good performance for its mother compound, NaBiO3. The optical band-gap energy of β-NaBiO3 was narrower than that of NaBiO3, which was confirmed with density of states curves simulated by first-principles density functional theory calculation. PMID:27243818

  13. Confinement-driven metal-insulator transition and polarity-controlled conductivity of epitaxial LaNiO3/LaAlO3 (111) superlattices

    NASA Astrophysics Data System (ADS)

    Wei, Haoming; Grundmann, Marius; Lorenz, Michael

    2016-08-01

    Recently, topological conductivity has been predicted theoretically in LaNiO3(111)-based superlattices. Here we report high-quality epitaxial LaNiO3/LaAlO3 superlattices on (111)-oriented SrTiO3 and LaAlO3 single crystals. For both substrates a metal-insulator transition with decreasing number of LaNiO3 monolayers is found. While the electrical transport is dominated by two-dimensional variable range hopping for superlattices grown on polar mismatched SrTiO3(111), it switches to a thermally activated single gap behavior on polar matched LaAlO3(111). The gap energy of the polar double-layer LaNiO3 superlattices can be tuned via the thickness of the insulating LaAlO3 layers.

  14. Foliar quality influences tree-herbivore-parasitoid interactions: effects of elevated CO2, O3, and plant genotype.

    PubMed

    Holton, M Kim; Lindroth, Richard L; Nordheim, Erik V

    2003-10-01

    This study examined the effects of carbon dioxide (CO2)-, ozone (O3)-, and genotype-mediated changes in quaking aspen (Populus tremuloides) chemistry on performance of the forest tent caterpillar (Malacosoma disstria) and its dipteran parasitoid (Compsilura concinnata) at the Aspen Free-Air CO2 Enrichment (FACE) site. Parasitized and non-parasitized forest tent caterpillars were reared on two aspen genotypes under elevated levels of CO2 and O3, alone and in combination. Foliage was collected for determination of the chemical composition of leaves fed upon by forest tent caterpillars during the period of endoparasitoid larval development. Elevated CO2 decreased nitrogen levels but had no effect on concentrations of carbon-based compounds. In contrast, elevated O3 decreased nitrogen and phenolic glycoside levels, but increased concentrations of starch and condensed tannins. Foliar chemistry also differed between aspen genotypes. CO2, O3, genotype, and their interactions altered forest tent caterpillar performance, and differentially so between sexes. In general, enriched CO2 had little effect on forest tent caterpillar performance under ambient O3, but reduced performance (for insects on one aspen genotype) under elevated O3. Conversely, elevated O3 improved forest tent caterpillar performance under ambient, but not elevated, CO2. Parasitoid larval survivorship decreased under elevated O3, depending upon levels of CO2 and aspen genotype. Additionally, larval performance and masses of mature female parasitoids differed between aspen genotypes. These results suggest that host-parasitoid interactions in forest systems may be altered by atmospheric conditions anticipated for the future, and that the degree of change may be influenced by plant genotype.

  15. Enhanced spin-orbit coupling and charge carrier density suppression in LaAl1-xCrxO3/SrTiO3 hetero-interfaces

    NASA Astrophysics Data System (ADS)

    Kumar, Pramod; Dogra, Anjana; Bhadauria, P. P. S.; Gupta, Anurag; Maurya, K. K.; Budhani, R. C.

    2015-04-01

    We report a gradual suppression of the two-dimensional electron gas (2DEG) at the LaAlO3/SrTiO3 interface on substitution of chromium at the Al sites. The sheet carrier density at the interface (n□) drops monotonically from ˜2.2 × 1014 cm-2 to ˜2.5 × 1013 cm-2 on replacing ≈60% of the Al sites by Cr and the sheet resistance (R□) exceeds the quantum limit for localization (h/2e2) in the concentrating range 40-60% of Cr. The samples with Cr ⩽40% show a distinct minimum (Tm) in metallic R□(T) whose position shifts to higher temperatures on increasing the substitution. Distinct signatures of Rashba spin-orbit interaction (SOI) induced magnetoresistance (MR) are seen in R□ measured in out of plane field (H⊥) geometry at T ⩽ 8 K. Analysis of these data in the framework of Maekawa-Fukuyama theory allows extraction of the SOI critical field (HSO) and time scale (τSO) whose evolution with Cr concentration is similar as with the increasing negative gate voltage in LAO/STO interface. The MR in the temperature range 8 K ⩽ T ⩽ Tm is quadratic in the field with a +ve sign for H⊥ and -ve sign for H∥. The behaviour of H∥ MR is consistent with Kondo theory which in the present case is renormalized by the strong Rashba SOI at T < 8 K.

  16. Optical properties of epitaxial BiFeO3 thin film grown on SrRuO3-buffered SrTiO3 substrate.

    PubMed

    Xu, Ji-Ping; Zhang, Rong-Jun; Chen, Zhi-Hui; Wang, Zi-Yi; Zhang, Fan; Yu, Xiang; Jiang, An-Quan; Zheng, Yu-Xiang; Wang, Song-You; Chen, Liang-Yao

    2014-01-01

    The BiFeO3 (BFO) thin film was deposited by pulsed-laser deposition on SrRuO3 (SRO)-buffered (111) SrTiO3 (STO) substrate. X-ray diffraction pattern reveals a well-grown epitaxial BFO thin film. Atomic force microscopy study indicates that the BFO film is rather dense with a smooth surface. The ellipsometric spectra of the STO substrate, the SRO buffer layer, and the BFO thin film were measured, respectively, in the photon energy range 1.55 to 5.40 eV. Following the dielectric functions of STO and SRO, the ones of BFO described by the Lorentz model are received by fitting the spectra data to a five-medium optical model consisting of a semi-infinite STO substrate/SRO layer/BFO film/surface roughness/air ambient structure. The thickness and the optical constants of the BFO film are obtained. Then a direct bandgap is calculated at 2.68 eV, which is believed to be influenced by near-bandgap transitions. Compared to BFO films on other substrates, the dependence of the bandgap for the BFO thin film on in-plane compressive strain from epitaxial structure is received. Moreover, the bandgap and the transition revealed by the Lorentz model also provide a ground for the assessment of the bandgap for BFO single crystals.

  17. Hardening of the soft phonon in bulk SrTiO3 interfaced with LaAlO3 and SrRuO3

    NASA Astrophysics Data System (ADS)

    Nucara, A.; Ortolani, M.; Baldassarre, L.; Mohamed, W. S.; Schade, U.; Aurino, P. P.; Kalaboukhov, A.; Winkler, D.; Khare, A.; Miletto Granozio, F.; Calvani, P.

    2016-06-01

    The low-temperature softening of the TO1 phonon of SrTiO3 (STO), which determines its incipient ferroelectricity, is known to be partially hindered either in the bulk under strong electric fields, or in thin STO films. Here we show, by terahertz (THz) reflectivity measurements, that a similar effect is produced in bulk STO and at zero static field by ultrathin metallic films on its surface, like a 10-nm-thick film of SrRuO3 (SRO), or the two-dimensional electron system (2DES) present at the interface with LaAlO3. In SRO/STO, the observed hardening is well explained by the depolarizing action of the SRO free electrons which follow adiabatically the ion motion. In LAO/STO, a weaker TO1 hardening could be detected by patterning the 2DES in the form of microstripes and using a polarized THz field parallel (E⃗∥) or orthogonal (E⃗⊥) to the stripes. At 10 K, when TO1 is excited together with the free electrons by E⃗∥, its absorbance is harder by about 7 cm-1 than that measured when TO1 is coupled to the plasmon-polariton confined within the stripes, being excited by E⃗⊥.

  18. High-Temperature Thermometer Using Cr-Doped GdAlO3 Broadband Luminescence

    NASA Technical Reports Server (NTRS)

    Eldridge, Jeffrey; Chambers, Matthew

    2011-01-01

    A new concept has been developed for a high-temperature luminescence-based optical thermometer that both shows the desired temperature sensitivity in the upper temperature range of present state-of-the-art luminescence thermometers (above 1,300 C), while maintaining substantial stronger luminescence signal intensity that will allow these optical thermometers to operate in the presence of the high thermal background radiation typical of industrial applications. This objective is attained by using a Cr-doped GdAlO3 (Cr:GdAlO3) sensor with an orthorhombic perovskite structure, resulting in broadband luminescence that remains strong at high temperature due to the favorable electron energy level spacing of Cr:GdAlO3. The Cr:GdAlO3 temperature (and pressure) sensor can be incorporated into, or applied onto, a component s surface when a non-contact surface temperature measurement is desired, or alternatively, the temperature sensor can be attached to the end of a fiber-optic probe that can then be positioned at the location where the temperature measurement is desired. In the case of the fiber-optic probe, both the pulsed excitation and the luminescence emission travel through the fiber-optic light guide. In either case, a pulsed light source provides excitation of the luminescence, and the broadband luminescence emission is collected. Real-time temperature measurements are obtain ed using a least-squares fitting algorithm that determines the luminescence decay time, which has a known temperature dependence established by calibration. Due to the broad absorption and emission bands for Cr:GdAlO3, there is considerable flexibility in the choice of excitation wavelength and emission wavelength detection bands. The strategic choice of the GdAlO3 host is based on its high crystal field, phase stability, and distorted symmetry at the Cr3+ occupation sites. The use of the broadband emission for temperature sensing at high temperatures is a key feature of the invention and is

  19. Products and yields from O3 photodissociation at 1576 A

    NASA Technical Reports Server (NTRS)

    Taherian, M. R.; Slanger, T. G.

    1985-01-01

    An analysis has been made of the primary atomic and molecular products arising from O3 photodissociation at 1576 A. The yield of oxygen atoms is 1.90 + or - 0.30, of which 71 percent are O(3P) and 29 percent are O(1D). Since a primary yield greater than unity can only be a consequence of three-fragment dissociation, these results suggest that fragmentation into three O(3P) atoms, and production of O(1D) plus a singlet oxygen molecule, have comparable yields. Observation of prompt emission in the 7300-8100 A spectral region indicates that the singlet O2 is O2(b 1Sigma + g). Vibrational levels in the range v = 0-6 have been detected, the distribution corresponding to a vibrational temperature of 1000 K.

  20. Observation of strontium segregation in LaAlO3/SrTiO3 and NdGaO3/SrTiO3 oxide heterostructures by X-ray photoemission spectroscopy

    NASA Astrophysics Data System (ADS)

    Treske, Uwe; Heming, Nadine; Knupfer, Martin; Büchner, Bernd; Koitzsch, Andreas; Di Gennaro, Emiliano; Scotti di Uccio, Umberto; Miletto Granozio, Fabio; Krause, Stefan

    2014-01-01

    LaAlO3 and NdGaO3 thin films of different thicknesses have been grown by pulsed laser deposition on TiO2-terminated SrTiO3 single crystals and investigated by soft X-ray photoemission spectroscopy. The surface sensitivity of the measurements has been tuned by varying photon energy hν and emission angle Θ. In contrast to the core levels of the other elements, the Sr 3d line shows an unexpected splitting for higher surface sensitivity, signaling the presence of a second strontium component. From our quantitative analysis we conclude that during the growth process Sr atoms diffuse away from the substrate and segregate at the surface of the heterostructure, possibly forming strontium oxide.

  1. Volcanic Ash a Sink for Atmospheric Trace Species? A Laboratory Study of SO2 and O3 Uptake by Ash

    NASA Astrophysics Data System (ADS)

    Maters, E. C.; Delmelle, P.; Rossi, M. J.

    2015-12-01

    The impacts of volcanic activity on atmospheric chemistry have dominantly been viewed in relation to sulphur and halogen gas and aerosol emissions, while volcanic ash has been largely overlooked. However, solid particles in the atmosphere are increasingly recognised to be important in providing surfaces for heterogeneous reaction with trace gases such as SO2, NOx, O3 and organic compounds. Average annual emissions of ash, the <2 mm aluminosilicate particles generated during explosive eruptions, correspond to a surface area roughly equivalent to one-third to one-half of Earth's geometric surface area. Despite the substantial surface presented by airborne ash particles, interactions between ash and gases at ambient temperature have seldom been investigated. Laboratory studies with volcanic ash similar to those conducted with mineral dust from arid and semi-arid regions are much needed to understand and quantify the kinetics and mechanisms involved in heterogeneous reactions. Addressing this gap in knowledge is fundamental to better assess the capacity of ash emissions to affect atmospheric chemistry. We determined the initial uptake coefficient (γM) and the total uptake capacity (NiM) for gaseous SO2 and O3 by a compositional range of ash and glass powders in a Knudsen flow reactor. The volcanic materials exhibited γSO2 and NiSO2 values ranging from 10-3 to 10-2 and from 1011 to 1013 molecules cm-2, respectively. The solids samples also showed γO3 and NiO3 values ranging from 10-3 to 10-2 and from 1012 to 1013 molecules cm-2, respectively. Results of sequential exposure trials (SO2 then O3, O3 then SO2) suggest that SO2 and O3 do not compete for surface sites on the aluminosilicate materials, although O3 may participate in redox reactions with surface adsorbed sulphur species, enhancing the total capacity for O3 uptake by the solid. Differences in reactivity of the samples towards SO2 and O3 may be interpreted in light of variations in types and abundances of

  2. Gas sensing behaviour of Cr2O3 and W6+: Cr2O3 nanoparticles towards acetone

    NASA Astrophysics Data System (ADS)

    Kohli, Nipin; Hastir, Anita; Singh, Ravi Chand

    2016-05-01

    This paper reports the acetone gas sensing properties of Cr2O3 and 2% W6+ doped Cr2O3 nanoparticles. The simple cost-effective hydrolysis assisted co-precipitation method was adopted. Synthesized samples were characterized by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) techniques. XRD revealed that synthesized nanoparticles have corundum structure. The lattice parameters have been calculated by Rietveld refinement; and strain and crystallite size have been calculated by using the Williamson-Hall plots. For acetone gas sensing properties, the nanoparticles were applied as thick film onto alumina substrate and tested at different operating temperatures. The results showed that the optimum operating temperature of both the gas sensors is 250°C. At optimum operating temperature, the response of Cr2O3 and 2% W6+ doped Cr2O3 gas sensor towards 100 ppm acetone was found to be 25.5 and 35.6 respectively. The investigations revealed that the addition of W6+ as a dopant enhanced the sensing response of Cr2O3 nanoparticles appreciably.

  3. Epitaxial growth and thermodynamic stability of SrIrO3/SrTiO3 heterostructures

    NASA Astrophysics Data System (ADS)

    Groenendijk, D. J.; Manca, N.; Mattoni, G.; Kootstra, L.; Gariglio, S.; Huang, Y.; van Heumen, E.; Caviglia, A. D.

    2016-07-01

    Obtaining high-quality thin films of 5d transition metal oxides is essential to explore the exotic semimetallic and topological phases predicted to arise from the combination of strong electron correlations and spin-orbit coupling. Here, we show that the transport properties of SrIrO3 thin films, grown by pulsed laser deposition, can be optimized by considering the effect of laser-induced modification of the SrIrO3 target surface. We further demonstrate that bare SrIrO3 thin films are subject to degradation in air and are highly sensitive to lithographic processing. A crystalline SrTiO3 cap layer deposited in-situ is effective in preserving the film quality, allowing us to measure metallic transport behavior in films with thicknesses down to 4 unit cells. In addition, the SrTiO3 encapsulation enables the fabrication of devices such as Hall bars without altering the film properties, allowing precise (magneto)transport measurements on micro- and nanoscale devices.

  4. Evolution of the electronic structure of SrTiO3/GdTiO3 heterostructures with layer thickness

    NASA Astrophysics Data System (ADS)

    Bjaalie, Lars; Janotti, Anderson; van de Walle, Chris G.

    2014-03-01

    A two-dimensional electron gas (2DEG), with density of 3e14cm-2 (0.5 electrons per interface unit cell), has been observed at the SrTiO3/GdTiO3 interface, with potential applications in electronic devices [P. Moetakef, T.A. Cain, D.G. Ouellette, J.Y. Zhang, D.O. Klenov, A. Janotti, C.G. Van de Walle, S. Rajan, S.J. Allen, and S. Stemmer, Appl. Phys. Lett. 99, 232116 (2011)]. Yet, basic properties of the 2DEG is still poorly understood, in particular the variation of the electrical conductivity with the SrTiO3 layer thickness. We performed density functional calculations with a hybrid functional to study the electronic structure of SrTiO3/GdTiO3 superlattices. We address the insulator to metal transition as a function of layer thickness, analyzing the effects of quantum confinement, charge ordering, and lattice distortions. Work supported by NSF and ARO.

  5. Phase equilibria investigations and thermodynamic modeling of the system Bi2O3-Al2O3

    NASA Astrophysics Data System (ADS)

    Oudich, F.; David, N.; Mathieu, S.; Vilasi, M.

    2015-02-01

    The system Bi2O3-Al2O3 has been experimentally investigated above 600 °C by DTA, XRD and EPMA under air and low oxygen pressure. Only two compounds were found to exist in equilibrium, which are Bi2Al4O9(1Bi2O3:2Al2O3) and Bi25AlO39(25:1). The latter exhibits a sillenite structure and does not contain pentavalent bismuth. A peritectoid decomposition of (25:1) and a peritectic melting of (1:2) occur at 775 °C and 1075 °C respectively, while an eutectic transformation was observed at 815 °C for 97 mol% Bi2O3. On the basis of the results obtained within the present work as well as experimental data provided from literature, a thermodynamic modeling where the liquid phase is described by the two-sublattice ionic liquid model was performed according to the Calphad approach. The resulting thermodynamic optimization yielded good agreement with experimental results in the investigated region.

  6. Room-Temperature Multiferroic Hexagonal LuFeO3

    SciTech Connect

    Cheng, Xuemei; Balke, Nina; Chi, Miaofang; Gai, Zheng; Keavney, David; Lee, Ho Nyung; Shen, Jian; Snijders, Paul C; Wang, Wenbin; Ward, Thomas Z; Xu, Xiaoshan; Yi, Jieyu; Zhu, Leyi; Christen, Hans M; Zhao, Jun

    2013-01-01

    We observed the coexistence of ferroelectricity and weak ferromagnetism at room temperature in the hexagonal phase of LuFeO3 stabilized by epitaxial thin film growth. While the ferroelectricity in hexagonal LuFeO3 can be understood as arising from its polar structure, the observation of weak ferromagnetism at room temperature is remarkable considering the frustrated triangular spin structure. An explanation of the room temperature weak ferromagnetism is proposed in terms of a subtle lattice distortion revealed by the structural characterization. The combination of ferroelectricity and weak ferromagnetism in epitaxial films at room temperature offers great potential for the application of this novel multiferroic material in next generation devices.

  7. Ferromagnetic interactions in chromium (III) doped YMnO3

    NASA Astrophysics Data System (ADS)

    Thakur, Rajesh K.; Thakur, Rasna; Kaurav, N.; Okram, G. S.; Gaur, N. K.

    2016-05-01

    Both of the reported compounds with compositions YMn1-xCrxO3 (x = 0.1 and 0.2) are synthesized by using the conventional solid state reaction method and their magnetic properties are analyzed vigilantly. The XRD pattern reveals the hexagonal structure of the reported compounds with space group P63cm (25-1079). The in-depth analysis of the magnetic measurements reveals the enhancement in the ferromagnetic character with Cr doping in YMnO3 compounds. The observed enhancement in the ferromagnetism is found to be due to the increased double exchange interactions among the Cr3+ and Mn3+ ions with Cr doping.

  8. Enhanced ferroelectric properties and thermal stability of nonstoichiometric 0.92(Na0.5Bi0.5)TiO3-0.08(K0.5Bi0.5)TiO3 single crystals

    NASA Astrophysics Data System (ADS)

    Zhang, Haiwu; Chen, Chao; Zhao, Xiangyong; Deng, Hao; Li, Long; Lin, Di; Li, Xiaobing; Ren, Bo; Luo, Haosu; Yan, Jun

    2013-11-01

    Bi deficient, Mn doped 0.92(Na0.5Bi0.5)TiO3-0.08(K0.5Bi0.5)TiO3 single crystals were grown by carefully controlled top-seeded solution growth method. Local structures were investigated by transmission electron microscopy. The site occupation and valence state of manganese were characterized by electron paramagnetic resonance spectrum. The leakage current density in the as-grown single crystals is effectively depressed. The introduced defect complexes suppress the temperature induced phase transformation, increasing the depolarization temperature (165 °C) and thermal stability of ferroelectric properties.

  9. Role of atomic radius and d -states hybridization in the stability of the crystal structure of M2O3 (M =Al , Ga, In) oxides

    NASA Astrophysics Data System (ADS)

    Sabino, F. P.; de Oliveira, Luiz Nunes; Da Silva, Juarez L. F.

    2014-10-01

    We study the stability of the corundum, gallia, and bixbyite structures of Al2O3,Ga2O3 , and In2O3 with density functional theory calculations. To artificially control the relative position of the d states within the band structure, we add a Hubbard-like on-site Coulomb interaction to the d states. We quantitatively show that smaller (larger) atomic radii favor the corundum (bixbyte) structure, which supports empirical models based on the atomic radius ratio between the cation and anions and the spacing-filling condition. Thus, Al2O3 and In2O3 crystallizes in the corundum and bixbyite structures, which is consistent with experimental observations. The empirical models based on atomic radius and space filling would predict a corundum or bixbyite structure for Ga2O3 . However, as expected from experimental observations, we find gallia to be the most stable structure for Ga2O3 . Our results explain why Ga2O3 crystallizes in the gallia structures instead of the corundum or bixbyite as follows. The stability of gallia increases as the hybridization of the Ga d states with the O 2 s states grows and the p -d splitting increases, which is maximized by the presence of fourfold cation sites. The presence of the fourfold cation sites in gallia is a key structural feature that increases its relative stability compared with the corundum and bixbyite structures for Ga2O3 , which contain only sixfold cation sites, so that the effect of the d states is unimportant.

  10. Research Update: Conductivity and beyond at the LaAlO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Gariglio, S.; Gabay, M.; Triscone, J.-M.

    2016-06-01

    In this review, we focus on the celebrated interface between two band insulators, LaAlO3 and SrTiO3, that was found to be conducting, superconducting, and to display a strong spin-orbit coupling. We discuss the formation of the 2-dimensional electron liquid at this interface, the particular electronic structure linked to the carrier confinement, the transport properties, and the signatures of magnetism. We then highlight distinctive characteristics of the superconducting regime, such as the electric field effect control of the carrier density, the unique tunability observed in this system, and the role of the electronic subband structure. Finally we compare the behavior of Tc versus 2D doping with the dome-like behavior of the 3D bulk superconductivity observed in doped SrTiO3. This comparison reveals surprising differences when the Tc behavior is analyzed in terms of the 3D carrier density for the interface and the bulk.

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

    SciTech Connect

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

    2015-04-11

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

  12. Tunnel and electrostatic coupling in graphene-LaAlO3/SrTiO3 hybrid systems

    NASA Astrophysics Data System (ADS)

    Aliaj, I.; Torre, I.; Miseikis, V.; di Gennaro, E.; Sambri, A.; Gamucci, A.; Coletti, C.; Beltram, F.; Granozio, F. M.; Polini, M.; Pellegrini, V.; Roddaro, S.

    2016-06-01

    We report on the transport properties of hybrid devices obtained by depositing graphene on a LaAlO3/SrTiO3 oxide junction hosting a 4 nm-deep 2-dimensional electron system. At low graphene-oxide inter-layer bias, the two electron systems are electrically isolated, despite their small spatial separation. A very efficient reciprocal gating of the two neighboring 2-dimensional systems is shown. A pronounced rectifying behavior is observed for larger bias values and ascribed to the interplay between electrostatic field-effects and tunneling across the LaAlO3 barrier. The relevance of these results in the context of strongly coupled bilayer systems is discussed.

  13. Modulation-Doped SrTiO3/SrTi1-xZrxO3 Heterostructures

    NASA Astrophysics Data System (ADS)

    Kajdos, Adam Paul

    Two-dimensional electron gases (2DEGs) in SrTiO3 have attracted considerable attention for exhibiting a variety of interesting physical phenomena, such as superconductivity and magnetism. So far, most of the literature has focused on interfaces between nonpolar SrTiO3 and polar perovskite oxides (e.g. LaAlO3 or rare-earth titanates), where high carrier density 2DEGs (˜3 x 1014 cm-2) are generated by polar discontinuity. Modulation doping is an alternative approach to generating a 2DEG that has been explored extensively in III-V semiconductors but has not heretofore been explored in complex oxides. This approach involves interfacing an undoped semiconductor with a doped semiconductor whose conduction band edge lies at a higher energy, which results in electrons diffusing into the undoped semiconductor transport channel, where scattering from ionized dopants is minimized. Realizing a high-mobility modulation-doped structure with a SrTiO3 transport channel therefore requires both the optimization of the transport channel by minimizing native defects as well as the development of a perovskite oxide which has a suitable band offset with SrTiO3 and can be electron-doped. The growth of high electron mobility SrTiO3 as a suitable transport channel material was previously demonstrated using the hybrid molecular beam epitaxy (MBE) approach, where Sr is delivered via a solid source and Ti is delivered using a metal-organic precursor, titanium (IV) tetra-isopropoxide (TTIP). Expanding on this, in-situ reflection high-energy electron diffraction (RHEED) is used to track the surface and resulting film cation stoichiometry of homoepitaxial SrTiO3 (001) thin films grown by hybrid MBE. It is shown that films with lattice parameters identical to bulk single-crystal substrates within the detection limit of high-resolution X-ray diffraction (XRD) measurements exhibit an evolution in surface reconstruction with increasing TTIP beam-equivalent pressure. The change in the observed

  14. LaCrO3 heteroepitaxy on SrTiO3(001) by molecular beam epitaxy

    SciTech Connect

    Qiao, Liang; Droubay, Timothy C.; Bowden, Mark E.; Shutthanandan, V.; Kaspar, Tiffany C.; Chambers, Scott A.

    2011-08-09

    Stoichiometric, epitaxial LaCrO3 films have been grown on TiO2-terminated SrTiO3(001) substrates by molecular beam epitaxy using O2 as the oxidant. Film growth occurred in a layer-by-layer fashion, giving rise to structurally excellent films and surfaces which preserve the step-terrace structure of the substrate. The critical thickness is in excess of 500 Å. Near-surface Cr(III) is highly susceptible to further oxidation to Cr(V), leading to the formation of a disordered phase upon exposure to atomic oxygen. Recovery of the original epitaxial LaCrO3 phase is readily achieved by vacuum annealing.

  15. Lattice dynamics and dielectric response of Mg-doped SrTiO3 ceramics in a wide frequency range

    NASA Astrophysics Data System (ADS)

    Tkach, A.; Vilarinho, P. M.; Kholkin, A. L.; Pashkin, A.; Samoukhina, P.; Pokorny, J.; Veljko, S.; Petzelt, J.

    2005-02-01

    Atomic substitutions in the SrTiO3 (ST) perovskite lattice are foreseen to modify the lattice vibration modes, which are apparently sensitive to the site at which the substitution occurs. In order to understand the effect of Mg substitution in the ST lattice, the dielectric properties of Sr1-xMgxTiO3 and SrTi1-yMgyO3-δ ceramics were investigated in radio frequency (rf), microwave, terahertz (THz), and infrared (IR) ranges. Micro-Raman spectroscopy and rf tunability measurements were also conducted on these samples. The micro-Raman spectra and the high-frequency dielectric properties of Sr1-xMgxTiO3, including rf tunability, do not differ considerably from the properties of undoped SrTiO3, confirming only slight (if any) incorporation of Mg into the Sr site of ST perovskite lattice. At the same time, Ti-site Mg doping results in significant stiffening of the soft lattice mode observed in IR reflectivity spectra. Dielectric permittivity and dielectric losses decrease in both rf and THz ranges accompanied by the decrease of the tunability, in accordance with the stiffened ferroelectric soft mode. The appearance in the Raman spectra of the forbidden polar modes TO4 at 545cm-1 and TO2 at 174cm-1 at room temperature and their strengthening on cooling, demonstrate the local loss of the inversion center and the breaking of the cubic symmetry by the substitution of Ti4+ by Mg2+ ions. These results confirm more favorable occupation of Mg at the Ti site of the ST lattice and show the possibility of using Ti-site Mg-doped ST as an active material for low-loss microwave waveguides and resonators.

  16. Local Structure of La1-xSrxCoO3 determined from EXAFS and neutron PDF studies

    SciTech Connect

    Sundaram, N.; Jiang, Y.; Anderson, I. E.; Belanger, D. P.; Booth, C. H.; Bridges, F.; Mitchell, J. F.; Proffen, Th.; Zheng, H.

    2009-01-26

    The combined local structure techniques, extended x-ray absorption fine structure (EXAFS) and neutron pair distribution function analysis, have been used for temperatures 4<= T<= 330 K to rule out a large Jahn-Teller (JT) distortion of the Co-O bond in La1?xSrxCoO3 for a significant fraction of Co sites (x<= 0.35), indicating few, if any, JT-active, singly occupied eg Co sites exist.

  17. Large piezoelectric response of BiFeO3/BaTiO3 polycrystalline films induced by the low-symmetry phase.

    PubMed

    Hou, Y F; Li, W L; Zhang, T D; Wang, W; Cao, W P; Liu, X L; Fei, W D

    2015-05-01

    BaTiO3, BiFeO3 and BiFeO3/BaTiO3 polycrystalline films were prepared by the radio frequency magnetron sputtering on the Pt/Ti/SiO2/Si substrate. The phase structure, converse piezoelectric coefficient and domain structure of BaTiO3, BiFeO3 and BiFeO3/BaTiO3 thin films are characterized by XRD and PFM, respectively. The converse piezoelectric coefficient d33 of BiFeO3/BaTiO3 thin films is 119.5 pm V(-1), which is comparable to that of lead-based piezoelectric films. The large piezoelectric response of BiFeO3/BaTiO3 thin films is ascribed to the low-symmetry T-like phase BiFeO3, because the spontaneous polarization vector of T-like phase (with monoclinic symmetry) BiFeO3 can rotate easily under external field. In addition, the reduced leakage current and major domains with upward polarization are also attributed to the large piezoelectricity.

  18. Thermodynamic investigation of the magnetic phase transitions of CaMnO3 and SrRuO3

    NASA Astrophysics Data System (ADS)

    Neumeier, J. J.; Cornelius, A. L.; Andres, K.

    2001-11-01

    Measurements of the linear thermal expansion Δl/l and molar heat capacity CP at constant pressure are presented on antiferromagnetic CaMnO3 and ferromagnetic SrRuO3 in the neighborhood of their magnetic phase transitions. The jumps in the linear thermal-expansion coefficient α and CP are used to calculate the influence of pressure on the magnetic ordering temperatures Tc through the Ehrenfest relation. Good agreement is obtained with measured values of dTc/dP.

  19. Vapor Pressures in the Al(I)+Al2O3(s) System: Reconsidering Al2O3(s) Condensation

    NASA Technical Reports Server (NTRS)

    Copland, Evan

    2005-01-01

    The vaporization behavior of the A1-O system has been studied on numerous occasions but significant uncertainties remain. The origin of this uncertainty must be understood before A1-O vaporization behavior can be accurately determined. The condensation of A12O3 and clogging of the effusion orifice is a difficult problem for the Knudsen effusion technique that influences the measured vaporization behavior but has only received limited attention. This study reconsiders this behavior in detail. A new theory for A12O3 condensation is proposed together with procedures that will improve the measured thermodynamic properties of A1-O vaporization.

  20. Single-domain multiferroic BiFeO3 films.

    PubMed

    Kuo, C-Y; Hu, Z; Yang, J C; Liao, S-C; Huang, Y L; Vasudevan, R K; Okatan, M B; Jesse, S; Kalinin, S V; Li, L; Liu, H J; Lai, C-H; Pi, T W; Agrestini, S; Chen, K; Ohresser, P; Tanaka, A; Tjeng, L H; Chu, Y H

    2016-01-01

    The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii-Moriya interaction is parallel to the a axis. Furthermore, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3. PMID:27581797

  1. Reactions Of Atomic Oxygen {O(3P)} With Polybutadienes

    NASA Technical Reports Server (NTRS)

    Golub, Morton A.; Lerner, Narcinda R.; Wydeven, Theodore

    1991-01-01

    Report describes experimental study of chemical reactions of atomic oxygen in ground state {O(3P)} with polybutadienes and related polymers. Attention focused on such reactions because of adverse effects of environmental atomic oxygen on polymeric materials in low orbits around Earth.

  2. Electronic Structure of Oxide Interfaces: A Comparative Analysis of GdTiO3/SrTiO3 and LaAlO3/SrTiO3 Interfaces.

    PubMed

    Banerjee, Hrishit; Banerjee, Sumilan; Randeria, Mohit; Saha-Dasgupta, Tanusri

    2015-01-01

    Emergent phases in the two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides have attracted great attention in the past decade. We present ab-initio electronic structure calculations for the interface between a Mott insulator GdTiO3 (GTO) and a band insulator SrTiO3 (STO) and compare our results with those for the widely studied LaAlO3/SrTiO3 (LAO/STO) interface between two band insulators. Our GTO/STO results are in excellent agreement with experiments, but qualitatively different from LAO/STO. We find an interface carrier density of 0.5 e(-)/Ti, independent of GTO thickness in both superlattice and thin film geometries, in contrast to LAO/STO. The superlattice geometry in LAO/STO offers qualitatively the same result as in GTO/STO. On the other hand, for a thin film geometry, the interface carrier density builds up only beyond a threshold thickness of LAO. The positive charge at the vacuum surface that compensates the 2DEG at the interface also exhibits distinct behaviors in the two systems. The compensating positive charge at the exposed surface of GTO charge disproportionates due to correlation effect making the surface insulating as opposed to that in LAO which remains metallic within band theory and presumably becomes insulating due to surface disorder or surface reconstruction. PMID:26689360

  3. Recent progress in Ga2O3 power devices

    NASA Astrophysics Data System (ADS)

    Higashiwaki, Masataka; Sasaki, Kohei; Murakami, Hisashi; Kumagai, Yoshinao; Koukitu, Akinori; Kuramata, Akito; Masui, Takekazu; Yamakoshi, Shigenobu

    2016-03-01

    This is a review article on the current status and future prospects of the research and development on gallium oxide (Ga2O3) power devices. Ga2O3 possesses excellent material properties, in particular for power device applications. It is also attractive from an industrial viewpoint since large-size, high-quality wafers can be manufactured from a single-crystal bulk synthesized by melt-growth methods. These two features have drawn much attention to Ga2O3 as a new wide bandgap semiconductor following SiC and GaN. In this review, we describe the recent progress in the research and development on fundamental technologies of Ga2O3 devices, covering single-crystal bulk and wafer production, homoepitaxial thin film growth by molecular beam epitaxy and halide vapor phase epitaxy, as well as device processing and characterization of metal-semiconductor field-effect transistors, metal-oxide-semiconductor field-effect transistors and Schottky barrier diodes.

  4. Single-domain multiferroic BiFeO3 films

    NASA Astrophysics Data System (ADS)

    Kuo, C.-Y.; Hu, Z.; Yang, J. C.; Liao, S.-C.; Huang, Y. L.; Vasudevan, R. K.; Okatan, M. B.; Jesse, S.; Kalinin, S. V.; Li, L.; Liu, H. J.; Lai, C.-H.; Pi, T. W.; Agrestini, S.; Chen, K.; Ohresser, P.; Tanaka, A.; Tjeng, L. H.; Chu, Y. H.

    2016-09-01

    The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii-Moriya interaction is parallel to the a axis. Furthermore, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3.

  5. Single-domain multiferroic BiFeO3 films

    DOE PAGES

    Kuo, Chang -Yang; Hu, Z.; Yang, J. C.; Liao, S. -C.; Huang, Y. L.; Vasudevan, R. K.; Okatan, M. B.; Jesse, Stephen; Kalinin, Sergei V.; Li, L.; et al

    2016-09-01

    The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With thismore » we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii–Moriya interaction is parallel to the a axis. Moreover, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3.« less

  6. Arabidopsis transcriptional responses differentiate between O3 and herbicides

    EPA Science Inventory

    Using published data based on Affymetrix ATH1 Gene-Chips we characterized the transcriptional response of Arabidopsis thaliana Columbia to O3 and a few other major environmental stresses including oxidative stress . A set of 101 markers could be extracted which provided a compo...

  7. Interface Structure of MoO3 on Organic Semiconductors

    PubMed Central

    White, Robin T.; Thibau, Emmanuel S.; Lu, Zheng-Hong

    2016-01-01

    We have systematically studied interface structure formed by vapor-phase deposition of typical transition metal oxide MoO3 on organic semiconductors. Eight organic hole transport materials have been used in this study. Ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy are used to measure the evolution of the physical, chemical and electronic structure of the interfaces at various stages of MoO3 deposition on these organic semiconductor surfaces. For the interface physical structure, it is found that MoO3 diffuses into the underlying organic layer, exhibiting a trend of increasing diffusion with decreasing molecular molar mass. For the interface chemical structure, new carbon and molybdenum core-level states are observed, as a result of interfacial electron transfer from organic semiconductor to MoO3. For the interface electronic structure, energy level alignment is observed in agreement with the universal energy level alignment rule of molecules on metal oxides, despite deposition order inversion. PMID:26880185

  8. Thin film processing of photorefractive BaTiO3

    NASA Technical Reports Server (NTRS)

    Schuster, Paul R.; Potember, Richard S.

    1991-01-01

    The principle objectives of this ongoing research involve the preparation and characterization of polycrystalline single-domain thin films of BaTiO3 for photorefractive applications. These films must be continuous, free of cracks, and of high optical quality. The two methods proposed are sputtering and sol-gel related processing.

  9. Single-domain multiferroic BiFeO3 films

    PubMed Central

    Kuo, C.-Y.; Hu, Z.; Yang, J. C.; Liao, S.-C.; Huang, Y. L.; Vasudevan, R. K.; Okatan, M. B.; Jesse, S.; Kalinin, S. V.; Li, L.; Liu, H. J.; Lai, C.-H.; Pi, T. W.; Agrestini, S.; Chen, K.; Ohresser, P.; Tanaka, A.; Tjeng, L. H.; Chu, Y. H.

    2016-01-01

    The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii–Moriya interaction is parallel to the a axis. Furthermore, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3. PMID:27581797

  10. Multidimentional Normal Mode Calculations for the OH Vibrational Spectra of (H_2O)_3^+, (H_2O)_3^+Ar, H^+(H_2O)_3, and H^+(H_2O)_3Ar

    NASA Astrophysics Data System (ADS)

    Li, Ying-Cheng; Chuang, Hsiao-Han; Tan, Jake Acedera; Takahashi, Kaito; Kuo, Jer-Lai

    2014-06-01

    Recent experimental observations of (H_2O)_3^+, (H_2O)_3^+Ar, H^+(H_2O)_3, and H^+(H_2O)_3Ar clusters in the region 1400-3800 wn show that the OH stretching vibration has distinct characteristics. Multidimensional normal mode calculations were carried out for OH stretching vibrations in the 1200-4000 wn photon energy range. The potential energy and dipole surfaces were evaluated by using first-principles methods. By comparing the calculated frequencies and intensities of OH stretching vibration with experimental spectra, we found that the assignment of OH strecthing of H_3O^+ moiety and free OH strectching vibration have resonable agreement with experimental data. Jeffrey M. Headrick, Eric G. Diken, Richard S. Walters, Nathan I. Hammer, Richard A. Christie, Jun Cui, Evgeniy M. Myshakin, Michael A. Duncan, Mark A. Johnson, Kenneth D. Jordan, Science, 2005, 17, 1765. Kenta Mizuse, Jer-Lai Kuo and Asuka Fujii, Chem. Sci., 2011, 2, 868 Kenta Mizuse and Asuka Fujii, J. Phys. Chem. A, 2013, 117, 929.

  11. Single-domain multiferroic BiFeO3 films.

    PubMed

    Kuo, C-Y; Hu, Z; Yang, J C; Liao, S-C; Huang, Y L; Vasudevan, R K; Okatan, M B; Jesse, S; Kalinin, S V; Li, L; Liu, H J; Lai, C-H; Pi, T W; Agrestini, S; Chen, K; Ohresser, P; Tanaka, A; Tjeng, L H; Chu, Y H

    2016-09-01

    The strong coupling between antiferromagnetism and ferroelectricity at room temperature found in BiFeO3 generates high expectations for the design and development of technological devices with novel functionalities. However, the multi-domain nature of the material tends to nullify the properties of interest and complicates the thorough understanding of the mechanisms that are responsible for those properties. Here we report the realization of a BiFeO3 material in thin film form with single-domain behaviour in both its magnetism and ferroelectricity: the entire film shows its antiferromagnetic axis aligned along the crystallographic b axis and its ferroelectric polarization along the c axis. With this we are able to reveal that the canted ferromagnetic moment due to the Dzyaloshinskii-Moriya interaction is parallel to the a axis. Furthermore, by fabricating a Co/BiFeO3 heterostructure, we demonstrate that the ferromagnetic moment of the Co film does couple directly to the canted moment of BiFeO3.

  12. Magnetism and metal-insulator transition in oxygen deficient SrTiO3

    NASA Astrophysics Data System (ADS)

    Lopez-Bezanilla, Alejandro; Ganesh, P.; Littlewood, Peter

    2015-03-01

    We report new findings in the electronic structure and magnetism of oxygen vacancies in SrTiO3. By means of first-principles calculations we show that the appearance of magnetism in oxygen-deficient SrTiO3 is not determined solely by the presence of a single oxygen vacancy but by the density of free carriers and the relative proximity of the vacant sites. While an isolated vacancy behaves as a non-magnetic double donor, manipulation of the doping conditions allows the stability of a single donor state with emergent local moments. Strong local lattice distortions enhance the binding of this state. Consequently we find that the free-carrier density and strain are fundamental components to obtaining trapped spin-polarized electrons in oxygen-deficient SrTiO3, which may have important implications in the design of switchable magneto-optic devices. AL-B and PBL were supported by DOE-BES under Contract No. DE-AC02-06CH11357. PG was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT- Battelle, LLC, for the US Department of Energy.

  13. Low Temperature Study of Mechanically Alloyed EuFeO3

    NASA Astrophysics Data System (ADS)

    Khatiwada, Suman; Seifu, Dereje

    2008-03-01

    Rare-earth (R) and transition metal (T) perovskite Oxides RTO3 are of great interest in Physics, besides potential applications in variety of devices. Here, we present study of EuFeO3 synthesized by mechanical alloying. The Mössbauer measurement on EuFeO3 is one of the rare cases where both the R and the T sites are probed in the same compound. Room temperature Mössbauer study is already reported [1], here we report low temperature Mössbauer measurements. Measurements indicate that hyperfine magnetic field increased with decreasing temperature. The ^57Fe Mössbauer spectra depicts that there is only a magnetic sextet at 20K implying pure ferromagnetic state. As temperature increased two non-magnetic states appeared and their propensity increased with temperature. The ^151Eu Mössbauer measurements show that the line width at half maxima has a peak between 50K and 100K. [1] Seifu, D., Takacs, L., Kebede, A., ``^151Eu and ^57Fe Mössbauer study of mechanically alloyed EuFeO3.'' J. of Mag. and Mag. Matt., 302, pp 479 -- 483, 2006.

  14. Isovalent Bi3+ substitution induced structural and magnetic transitions in LaMnO3

    NASA Astrophysics Data System (ADS)

    Joseph, D. Paul; Lin, J. W.; Kumar, N. Pavan; Chen, W. C.; Lin, J. G.

    2016-11-01

    Rare earth perovskite manganites have attracted renewed attention due to scientific aspect and prospective device applications. This work explores the structural and magnetic properties of La(1-x)BixMnO3 (x=0-0.5) with isovalent Bi3+ ions substituted at the La3+site synthesized through solid state reaction method. Doping of 'Bi3+' in LaMnO3 induces transition from orthorhombic to cubic phase for x≥ 0.3. Decrease in the magnetic transition temperature in ZFC-FC data is correlated to the distortion induced by 'Bi3+' doping. Spin glass like feature is witnessed in orthorhombic phase and it diminished appreciably for x≥0.3 in the cubic symmetry. At 10 K, coercivity decreases in orthorhombic phase, whereas it increases marginally in cubic phase. Thus, isovalent Bi3+ doping in LaMnO3 is found to induce structural change from orthorhombic to cubic which is also reflected in the magnetic properties as a change over from hard to soft magnetic phase. In addition, a phenomenological model is applied for fitting the field cooled magnetization data. The results of fitting and the related magneto-caloric effect are also discussed in this paper.

  15. Blending Cr2O3 into a NiO-Ni electrocatalyst for sustained water splitting.

    PubMed

    Gong, Ming; Zhou, Wu; Kenney, Michael James; Kapusta, Rich; Cowley, Sam; Wu, Yingpeng; Lu, Bingan; Lin, Meng-Chang; Wang, Di-Yan; Yang, Jiang; Hwang, Bing-Joe; Dai, Hongjie

    2015-10-01

    The rising H2 economy demands active and durable electrocatalysts based on low-cost, earth-abundant materials for water electrolysis/photolysis. Here we report nanoscale Ni metal cores over-coated by a Cr2 O3 -blended NiO layer synthesized on metallic foam substrates. The Ni@NiO/Cr2 O3 triphase material exhibits superior activity and stability similar to Pt for the hydrogen-evolution reaction in basic solutions. The chemically stable Cr2 O3 is crucial for preventing oxidation of the Ni core, maintaining abundant NiO/Ni interfaces as catalytically active sites in the heterostructure and thus imparting high stability to the hydrogen-evolution catalyst. The highly active and stable electrocatalyst enables an alkaline electrolyzer operating at 20 mA cm(-2) at a voltage lower than 1.5 V, lasting longer than 3 weeks without decay. The non-precious metal catalysts afford a high efficiency of about 15 % for light-driven water splitting using GaAs solar cells. PMID:26307213

  16. Blending Cr2O3 into a NiO-Ni electrocatalyst for sustained water splitting

    DOE PAGES

    Gong, Ming; Zhou, Wu; Kenney, Michael James; Kapusta, Rich; Cowley, Sam; Wu, Yingpeng; Lu, Bingan; Lin, Meng -Chang; Wang, Di -Yan; Yang, Jiang; et al

    2015-08-24

    The rising H2 economy demands active and durable electrocatalysts based on low-cost, earth-abundant materials for water electrolysis/photolysis. Here we report nanoscale Ni metal cores over-coated by a Cr2O3-blended NiO layer synthesized on metallic foam substrates. The Ni@NiO/Cr2O3 triphase material exhibits superior activity and stability similar to Pt for the hydrogen-evolution reaction in basic solutions. The chemically stable Cr2O3 is crucial for preventing oxidation of the Ni core, maintaining abundant NiO/Ni interfaces as catalytically active sites in the heterostructure and thus imparting high stability to the hydrogen-evolution catalyst. The highly active and stable electrocatalyst enables an alkaline electrolyzer operating at 20more » mA cm–2 at a voltage lower than 1.5 V, lasting longer than 3 weeks without decay. Thus, the non-precious metal catalysts afford a high efficiency of about 15 % for light-driven water splitting using GaAs solar cells.« less

  17. First-principles investigation of cubic BaRuO3: A Hund's metal

    NASA Astrophysics Data System (ADS)

    Dasari, Nagamalleswararao; Yamijala, S. R. K. C. Sharma; Jain, Manish; Dasgupta, T. Saha; Moreno, Juana; Jarrell, Mark; Vidhyadhiraja, N. S.

    2016-08-01

    A first-principles investigation of cubic BaRuO3, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte Carlo solver, has been carried out. Nonmagnetic calculations with appropriately chosen on-site Coulomb repulsion U and Hund's exchange J for single-particle dynamics and static susceptibility show that cubic BaRuO3 is in a spin-frozen state at temperatures above the ferromagnetic transition point. A strong redshift with increasing J of the peak in the real frequency dynamical susceptibility indicates a dramatic suppression of the Fermi liquid coherence scale as compared to the bare parameters in cubic BaRuO3. The self-energy also shows clear deviation from Fermi liquid behavior that manifests in the single-particle spectrum. Such a clean separation of energy scales in this system provides scope for an incoherent spin-frozen (SF) phase that extends over a wide temperature range, to manifest in non-Fermi liquid behavior and to be the precursor for the magnetically ordered ground state.

  18. Insight into the effects of different ageing protocols on Rh/Al2O3 catalyst

    NASA Astrophysics Data System (ADS)

    Zhao, Baohuai; Ran, Rui; Cao, Yidan; Wu, Xiaodong; Weng, Duan; Fan, Jun; Wu, Xueyuan

    2014-07-01

    In this work, a catalyst of Rh loaded on Al2O3 was prepared by impregnating method with rhodium nitrate aqueous solution as the Rh precursor. The catalyst was aged under different protocols (lean, rich, inert and cyclic) to obtain several aged samples. All the Rh/Al2O3 samples were characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) method, CO-chemisorption, H2-temperature programmed reduction (H2-TPR), transmission electron microscope (TEM) and X-ray photoelectron spectroscopy (XPS). It was found that a specific ageing treatment could strongly affect the catalytic activity. The N2 aged and the H2 aged samples had a better catalytic activity for CO + NO reaction than the fresh sample while the air aged and the cyclic aged samples exhibited much worse activity. More surface Rh content and better reducibility were obtained in the N2 and the H2 aged samples and the Rh particles existed with an appropriate size, which were all favorable to the catalytic reaction. However, the air and the cyclic ageing protocols induced a strong interaction between Rh species and the Al2O3 support, which resulted in a severe sintering of particles of Rh species and the loss of active sites. The structure evolution scheme of the catalysts aged in different protocols was also established in this paper.

  19. Enhanced spin - Reorientation temperature and origin of magnetocapacitance in HoFeO3

    NASA Astrophysics Data System (ADS)

    Kotnana, Ganesh; Jammalamadaka, S. Narayana

    2016-11-01

    We report on the increase in the spin reorientation temperature in HoFe0.5Cr0.5O3 compound by isovalent substitution (Cr3+) at the Fe-site and the magnetocapacitance in the HoFeO3 compound. Spin reorientation transition is evident around 50 K and 150 K for the x=0 and x=0.5 compounds respectively. The increase in the spin reorientation transition temperature in case of x=0.5 compound can be attributed to the domination of the Ho3+-Fe3+ interaction over the Fe3+-Fe3+ interaction. Decrease in Néel temperature from 643 K (x=0) to 273 K (x=0.5) can be ascribed to the decrease in the interaction between antiferromagnetically aligned Fe3+ moments as a result of the dilution of the Fe3+ moments with the Cr3+ addition. From the magnetization M vs. magnetic field H variation it is evident that the coercivity, HC decreases for x=0.5 compound, hinting the magnetic softening of the HoFeO3 compound. Observed magnetocapacitance could be due to lossy dielectric mechanism in the present compound. Indeed, present results would be helpful in understanding the physics behind rare-earth orthoferrites.

  20. Direct spectroscopic observation of a shallow hydrogenlike donor state in insulating SrTiO3.

    PubMed

    Salman, Z; Prokscha, T; Amato, A; Morenzoni, E; Scheuermann, R; Sedlak, K; Suter, A

    2014-10-10

    We present a direct spectroscopic observation of a shallow hydrogenlike muonium state in SrTiO(3) which confirms the theoretical prediction that interstitial hydrogen may act as a shallow donor in this material. The formation of this muonium state is temperature dependent and appears below ∼ 70K. From the temperature dependence we estimate an activation energy of ∼ 50 meV in the bulk and ∼ 23 meV near the free surface. The field and directional dependence of the muonium precession frequencies further supports the shallow impurity state with a rare example of a fully anisotropic hyperfine tensor. From these measurements we determine the strength of the hyperfine interaction and propose that the muon occupies an interstitial site near the face of the oxygen octahedron in SrTiO(3). The observed shallow donor state provides new insight for tailoring the electronic and optical properties of SrTiO(3)-based oxide interface systems. PMID:25375730

  1. Magnetic characterization of iron oxides formed after thermal treatment of nontronite and the formation of three polymorphs of Fe2O3: α-Fe2O3, γ-Fe2O3, ɛ-Fe2O3

    NASA Astrophysics Data System (ADS)

    Berquo, T. S.; Moskowitz, B. M.

    2011-12-01

    Nontronite is an Fe-rich smectite clay that occurs widely in terrestrial soils, sediments and weathering formations and may also be present in the Martian regolith. The thermal decomposition of nontronite is known to form various magnetic iron oxides but their compositions, magnetic properties, and formation pathways remain poorly understood. The magnetic alteration products of nontronite have been proposed as a source for the magnetic phases in the surface layers and dust on Mars as well as in some archeological fired-bricks and ceramic pottery. One alteration product of nontronite is ɛ-Fe2O3 which is ferrimagnetic with a Curie temperature of ~ 500 K and extremely large coercivity (HC ~ 1-2 T) at 300 K. In this work nontronite samples from eight source localities were heated to 1000°C in air for one hour. The magnetic properties of the alteration products were investigated with low-temperature (LT) magnetization and AC susceptibility curves, hysteresis loops, Mossbauer spectroscopy, and X-ray diffraction. The thermal treatment was effective in converting the nontronite to a combination of different polymorphs of ferric oxide depending on source locality and included: hematite (α-Fe2O3), ɛ-Fe2O3, and a cubic spinel phase that suggest the presence of maghemite (γ-Fe2O3). Mossbauer spectra at 300 K identified hematite and ɛ-Fe2O3 as the main phases in 7 samples with amounts ranging from 26-100% for hematite 0-69% for ɛ-Fe2O3. One sample showed a paramagnetic Fe3+ doublet and a broad sextet characteristic of magnetic relaxation effects. Upon cooling to 4.2 K, the Mossbauer spectrum was consistent with maghemite. In all samples except one, the magnetic hyperfine fields for the hematite phase are slightly reduced as compared with its stoichiometric form indicating some iron substitution with ions such as Al. This is consistent with the observation that all but one sample lacked the characteristic Morin transition for pure hematite on LT-remanence warming curves

  2. Effect of Gd-substitution on the ferroelectric and magnetic properties of BiFeO3 processed by high-energy ball milling

    NASA Astrophysics Data System (ADS)

    Sharma, Shiwani; Mishra, Alok; Saravanan, P.; Pandey, O. P.; Sharma, Puneet

    2016-11-01

    Multiferroic BiFeO3 was synthesized by means of high-energy ball milling (HEBM) followed by thermal annealing at various temperatures and the effect of Gd3+ substitution (x=0.0-0.20) at Bi3+ site was investigated in this study. It is found that the Gd-substitution tends to decrease the impurity phases and the crystallization of single phase BiFeO3 is observed at x=0.1. Scanning electron micrograph of Bi1-xGdxFeO3 sintered sample indicated a decrease in particle size and change in shape with increasing x. For all the studied samples, the measured dielectric constant values tend to increase from 110 (x=0.0) to 250 (x=0.10). The dielectric loss is found to be more for the pure BiFeO3 as compared to the Bi1-xGdxFeO3. Ferroelectric loops show a maximum polarization of 1.63 μC/cm2 for the Bi0.9Gd0.1FeO3. Magnetization (M) versus magnetic field (H) hysteresis loops at 300 K BiFeO3 and Bi0.9Gd0.1FeO3 demonstrated non-saturated loops, suggesting the antiferromagnetic nature of the samples. The M-H behavior of the Bi1-xGdxFeO3 at 300 K shows the antiferromagnetic nature of the samples. The estimated magnetization value at 10 kOe for the Bi0.9Gd0.1FeO3 sample (0.23 emu/g) is found to be higher than that of the pure BiFeO3 (0.037 emu/g).

  3. Anomalous enhancement of Neel temperature and magnetic coupling for Bi0.9Ca0.1FeO3-δ and Bi0.9Pb0.1FeO3

    NASA Astrophysics Data System (ADS)

    Dwivedi, Gopeshmwar-Dhar; Yang, Kung-Shang; Chen, Bo-Yu; Chou, Hsiung

    Temperature dependent neutron diffraction patterns of the Ca-doped BiFeO3 and Pb-doped BiFeO3 show that their Neel temperatures (TN) increase to 710 K and 680 K, while pure BiFeO3 has a TN ~643 K. X-ray absorption spectra clearly shows that there is no evidence of mixed valence states despite divalent cation doping in trivalent Bi-sites. X-ray photoemission spectroscopy study revealed that divalent doping has introduced oxygen vacancies in the system. Oxygen deficiency plays a significant role in contracting Fe-O bond length in Fe-O6 octahedra and hence increasing the Fe-O-Fe bond angle in Bi0.9Ca0.1FeO3-δ and Bi0.9Pb0.1FeO3-δ. The decreased Fe-O bond length and increased Fe-O-Fe bond angle favors the Goodenough-Kanamori-Anderson (GKA) coupling. The GKA coupling increases the magnetic interaction between the spins and hence increases the TN. Additionally, doping of divalent cations (Ca2+ and Pb2+) results in the destruction of cycloidal spin structure and formation of a simple antiferromagnetic (AFM) structure. This structure can easily be canted near the heterogeneous interface with a ferromagnetic layer to induce the Dzyaloshinskii-Moriya (DM) interaction and enhance the magneto-electric (M-E) coupling. Corresponding Author.

  4. Structure and defect studies of In2O3:Zn,Zr for higher stability TCO

    NASA Astrophysics Data System (ADS)

    Herwadkar, Aditi; Kim, Kwiseon

    2010-03-01

    The defects structures among the transparent conducting oxides (TCO) plays a major role in determining stability of the oxide over a temperature range and in tuning electrical and optical properties for the different TCO applications In2O3 crystallizes in the cubic bixbyite structure. The structure can be derived from the related fluorite structure by removing one fourth of the anions and allowing for small shifts of the ionic positions. In2O3 has two non-equivalent six-fold coordinated cation sites. For one of the sites, the cation is bounded by two structural vacancy along the body diagonal and for the other non-equivalent site the vacancies lie along the face diagonal. These vacancies are actually empty oxygen vacancy positions. Indium is in +3 charge state. ZnO on the other hand crystallizes to form wurtzite structure with four-fold coordination for Zn and is in +2 charge state where as the crystal structure of ZrO is rulite with Zr in +4 charge state and is four fold coordinated. Co-doping of Zn and Zr with each substituting the In atom satisfies the octet rule and is lower in energy then the individual substitutions with overall neutrality. The formation enthalpy as a function of pair (Zn, Zr) shows a minimum at experimental composition of In2(Zn,Zr)3O24. We in this work present the electronic structure optimization and study the defect states in this material.

  5. Magnetic and magnetocaloric properties of Ba and Ti co-doped SrRuO3

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    Temperature evolution of magnetic properties in Ba and Ti doped SrRuO3 has been investigated to observe the effects of larger ionic radius Ba at Sr site and isovalent nonmagnetic impurity Ti at Ru site. Ionic radius mismatch and different electronic configuration in comparison with Ru modify Sr(Ba)-O and Ru(Ti)-O bond lengths and Ru-O-Ru bond angle. The apical and basal Ru-O-Ru bond angles vary significantly with Ti doping. Ferromagnetic Curie temperature decreases from 161 K to 149 K monotonically with Ba (10%) and Ti (10%) substitutions at Sr and Ru sites. The zero field cooled (ZFC) magnetization reveals a prominent peak which shifts towards lower temperature with application of magnetic field. The substitution of tetravalent Ti with localized 3d0 orbitals for Ru with more delocalized 4d4 orbitals leads to a broad peak in ZFC magnetization. A spontaneous ZFC magnetization becomes negative below 160 K for all the compositions. The occurrence of both normal and inverse magnetocaloric effects in Ba and Ti co-doped SrRuO3 makes the system more interesting.

  6. Moessbauer spectroscopy of Mg(0.9)Fe(0.1)SiO3 perovskite

    NASA Technical Reports Server (NTRS)

    Jeanloz, Raymond; O'Neill, Bridget; Pasternak, Moshe P.; Taylor, R. D.; Bohlen, Steven R.

    1992-01-01

    Ambient pressure Moessbauer spectra of Mg(0.9)Fe-57(0.1)SiO3 perovskite synthesized at pressure-temperature conditions of about 50 GPa and 1700 K show that the iron is entirely high-spin Fe(2+) and appears to be primarily located in the octahedral site within the crystal structure. We observe broad Moessbauer lines, suggesting a distribution of electric-field gradients caused by disorder associated with the Fe ions. Also, the perovskite exhibits magnetic ordering at temperatures lower than 5 K, implying that there is a magnetic contribution to the absolute ('third-law') entropy of this phase.

  7. Composition dependence of photoluminescence properties of poly(9,9-di-n-hexylfluorenyl-2,7-diyl) with perovskite-structured SrTiO3 nanocomposites

    NASA Astrophysics Data System (ADS)

    Din, U. K. N.; Salleh, M. M.; Aziz, T. H. T.; Umar, A. A.

    2016-05-01

    Nanocomposite thin films of poly(9,9-di-n-hexylfluorenyl-2,7-diyl) (PHF) with 10-50 wt% perovskite-structured SrTiO3 nanoparticles (designated as PHF:SrTiO3) were prepared by spin coating. The photoluminescence (PL) properties of the nanocomposites thin films were studied. The incorporation of SrTiO3 nanoparticles into the nanocomposite thin films enhanced the original PL intensities of the host PHF thin films. The intensities of the PL peak for the nanocomposite thin films were dependent on the amount of SrTiO3 nanoparticles in the films and the homogeneity of the nanoparticle distribution. The distribution of the SrTiO3 nanoparticles contributed to the overlapping molecular orbital sites in PHF:SrTiO3, which promoted the excited electrons from the conduction band of SrTiO3 transferred to the excited energy level of the PHF host material. In this case, the perovskite-structured SrTiO3 nanoparticles act as sensitizers.

  8. Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, PbZrO3 and BaZrO3 (001), (011) and (111) surfaces as well as F centers, polarons, KTN solid solutions and Nb impurities therein

    NASA Astrophysics Data System (ADS)

    Eglitis, R. I.

    2014-03-01

    In this paper, the review of recent results of calculations of surface relaxations, energetics, and bonding properties for ABO3 perovskite (001), (011) and (111) surfaces using mostly a hybrid description of exchange and correlation is presented. Both AO and BO2-terminations of the nonpolar (001) surface and A, BO, and O terminations of the polar (011) surface, as well as B and AO3-terminations of the polar (111) surface were considered. On the AO-terminated (001) surface, all upper-layer A atoms relax inwards, while all second layer atoms relax outwards. For the BO2-terminated (001) surface, in most cases, the largest relaxations are on the second-layer metal atoms. For almost all ABO3 perovskites, the surface rumpling is much larger for the AO-terminated than for the BO2-terminated (001) surface, but their surface energies are always quite similar. In contrast, different terminations of the (011) ABO3 surface lead to very different surface energies for the O-terminated, A-terminated, and BO-terminated (011) surface, respectively. A considerable increase in the Ti-O or Zr-O, respectively, chemical bond covalency near the (011) surface as compared both to the bulk and to the (001) surface in ABO3 perovskites were predicted. According to the results of ab initio calculations for Nb doped SrTiO3, Nb is a shallow donor; six nearest O ions are slightly displaced outwards from the Nb ion. The F center in ABO3 perovskites resembles electron defects in the partially-covalent SiO2 crystal rather than usual F centers in ionic crystals like MgO and alkali halides. The results of calculations for several perovskite KNbxTa1-xO3 (KTN) solid solutions, as well as hole and electron polarons in ABO3 perovskites are analyzed.

  9. Enhanced magnetoelectric properties of BiFeO3 on formation of BiFeO3/SrFe12O19 nanocomposites

    NASA Astrophysics Data System (ADS)

    Das, Anusree; Chatterjee, Souvik; Bandyopadhyay, Sudipta; Das, Dipankar

    2016-06-01

    Nanocomposites (NCs) comprising (1-x) BiFeO3 (BFO) and x SrFe12O19 (SRF) (x = 0.1, 0.2, 0.3, and 0.4) have been prepared by a sol-gel route. Presence of pure phases of both BiFeO3 (BFO) and SrFe12O19 (SRF) in the NCs for x = 0.3 and 0.4 has been confirmed by Rietveld analysis of XRD data though a minor impurity phase is observed in the case of x = 0.1 and 0.2 NCs. Transmission electron micrographs of the NCs show that particles are mostly spherical with average size of 30 nm. M-H measurements at 300 and 10 K indicate predominantly ferrimagnetic behavior of all the NCs with an increasing trend of saturation magnetization values with increasing content of SRF. Dielectric constant (ɛr) of the NCs at room temperature shows a dispersive behavior with frequency and attains a constant value at higher frequency. ɛr - T measurements reveal an increasing trend of dielectric constant of the NCs with increasing temperature and show an anomaly around the antiferromagnetic transition temperature of BFO, which indicates magnetoelectric coupling in the NCs. The variation of capacitance in the presence of magnetic field confirms the enhancement of magnetoelectric effect in the NCs. 57Fe Mössbauer spectroscopy results indicate the presence of only Fe3+ ions in usual crystallographic sites of BFO and SRF.

  10. Structural, morphological and optical investigations on electron-beam irradiated PbF2-TeO2-B2O3-Eu2O3 glasses

    NASA Astrophysics Data System (ADS)

    Wagh, Akshatha; Petwal, Vikash; Dwivedi, Jishnu; Upadhyaya, V.; Raviprakash, Y.; Kamath, Sudha D.

    2016-09-01

    Combined structural, optical and morphological studies were carried out on Eu2O3 doped PbF2-TeO2-B2O3 glass samples, before and after being subjected to electron beam of energy 7.5 MeV. XRD confirmed the amorphous nature of the glasses even after 150 kGy electron beam irradiation. Densities of the irradiated samples showed slightly greater values when compared to their respective values before irradiation, which proved the increase in the compaction of the network. The intensities of the three prominent bands; B-O-B linkages, BO4 units and BO3 units of FT-IR spectra, of the titled glasses, showed slight decrease after electron beam irradiation. The decrement in the values of energy band gap and shift in cut-off wavelength towards red edge, proved the formation of color centers in the glass network after irradiation. The change in Hunter L values, through color measurement was a proof for the Farbe/color/absorption centers created in the glass sites after irradiation.

  11. Tailoring a two-dimensional electron gas at the LaAlO3/SrTiO3 (001) interface by epitaxial strain

    PubMed Central

    Bark, C. W.; Felker, D. A.; Wang, Y.; Zhang, Y.; Jang, H. W.; Folkman, C. M.; Park, J. W.; Baek, S. H.; Zhou, H.; Fong, D. D.; Pan, X. Q.; Tsymbal, E. Y.; Rzchowski, M. S.; Eom, C. B.

    2011-01-01

    Recently a metallic state was discovered at the interface between insulating oxides, most notably LaAlO3 and SrTiO3. Properties of this two-dimensional electron gas (2DEG) have attracted significant interest due to its potential applications in nanoelectronics. Control over this carrier density and mobility of the 2DEG is essential for applications of these unique systems, and may be achieved by epitaxial strain. However, despite the rich nature of strain effects on oxide materials properties, such as ferroelectricity, magnetism, and superconductivity, the relationship between the strain and electrical properties of the 2DEG at the LaAlO3/SrTiO3 heterointerface remains largely unexplored. Here, we use different lattice constant single-crystal substrates to produce LaAlO3/SrTiO3 interfaces with controlled levels of biaxial epitaxial strain. We have found that tensile-strained SrTiO3 destroys the conducting 2DEG, while compressively strained SrTiO3 retains the 2DEG, but with a carrier concentration reduced in comparison to the unstrained LaAlO3/SrTiO3 interface. We have also found that the critical LaAlO3 overlayer thickness for 2DEG formation increases with SrTiO3 compressive strain. Our first-principles calculations suggest that a strain-induced electric polarization in the SrTiO3 layer is responsible for this behavior. The polarization is directed away from the interface and hence creates a negative polarization charge opposing that of the polar LaAlO3 layer. This behavior both increases the critical thickness of the LaAlO3 layer, and reduces carrier concentration above the critical thickness, in agreement with our experimental results. Our findings suggest that epitaxial strain can be used to tailor 2DEGs properties of the LaAlO3/SrTiO3 heterointerface.

  12. Light induced suppression of Kondo effect at amorphous LaAlO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Liu, G. Z.; Qiu, J.; Jiang, Y. C.; Zhao, R.; Yao, J. L.; Zhao, M.; Feng, Y.; Gao, J.

    2016-07-01

    We report photoelectric properties of two-dimensional electron gas (2DEG) at an amorphous LaAlO3/SrTiO3 interface. Under visible light illumination (650 nm), an enhancement of electric conductivity is observed over the temperature range from 2 to 300 K. Particularly, a resistance upturn appearing below 25 K, which is further proved to from the Kondo effect, is suppressed by the 650 nm visible light. From the results of light-assisted Hall measurements, light irradiation increases the carrier mobility rather than carrier density in the Kondo regime. It is suggested that light induces the decoherence effect of localized spin states, hence the electron scattering is weakened and the carrier mobility is improved accordingly. Moreover, the enhancement of electrical conductivity by visible light verifies that in-gap states located in the SrTiO3 side of the interface play an important role in the electrical transport of the amorphous SrTiO3-based oxide 2DEG system. Our results provide deeper insight into the photoinduced effects in the 2DEG system, paving the way for the design of optoelectronic devices based on oxides.

  13. Aqueous chemical growth of alpha-Fe2O3-alpha-Cr2O3 nanocomposite thin films.

    PubMed

    Vayssieres, L; Guo, J; Nordgren, J

    2001-12-01

    We are reporting here on the inexpensive fabrication and optical properties of an iron(III) oxide-chromium(III) oxide nanocomposite thin film of corundum crystal structure. Its novel and unique-designed architecture consists of uniformed, well-defined and oriented nanorods of Hematite (alpha-Fe2O3) of 50 nm in diameter and 500 nm in length and homogeneously distributed nonaggregated monodisperse spherical nanoparticles of Eskolaite (alpha-Cr2O3) of 250 nm in diameter. This alpha-Fe2O3-alpha-Cr2O3 nanocomposite thin film is obtained by growing, directly onto transparent polycrystalline conducting substrate, an oriented layer of hematite nanorods and growing subsequently, the eskolaite layer. The synthesis is carried out by a template-free, low-temperature, multilayer thin film coating process using aqueous solution of metal salts as precursors. Almost 100% of the light is absorbed by the composite film between 300 and 525 nm and 40% at 800 nm which yields great expectations as photoanode materials for photovoltaic cells and photocatalytic devices. PMID:12914078

  14. Electronic transport in (La,Sr)MnO3-ferroelectric-(La,Sr)MnO3 epitaxial structures

    NASA Astrophysics Data System (ADS)

    Boni, A. G.; Pintilie, I.; Pintilie, L.; Preziosi, D.; Deniz, H.; Alexe, M.

    2013-06-01

    The leakage current in all oxide epitaxial (La,Sr)MnO3-ferroelectric-(La,Sr)MnO3 structures, where the ferroelectric layer is either BaTiO3 or Pb(Zr0.2Ti0.8)O3, was analyzed on a broad range of temperatures and for different thicknesses of the ferroelectric layer. It was found that, although the structures are nominally symmetric, the current-voltage (I-V) characteristics are asymmetric. The leakage current depends strongly on the thicknesses of the ferroelectric layer, on temperature and on the polarity of the applied voltage. Simple conduction mechanisms such as space charge limited currents or thermionic emission cannot explain in the same time the voltage, temperature, and thickness dependence of the experimentally measured leakage currents. A combination between interface limited charge injection and bulk controlled drift-diffusion (through hopping in the case of BTO and through band mobility in the case of PZT) is qualitatively explaining the experimental I-V characteristics.

  15. Aharanov-Bohm quantum interference in LaAlO3/SrTiO3 Hall bar structures

    NASA Astrophysics Data System (ADS)

    Irvin, Patrick; Lu, Shicheng; Annadi, Anil; Cheng, Guanglei; Tomczyk, Michelle; Huang, Mengchen; Levy, Jeremy; Lee, Hyungwoo; Eom, Chang-Beom

    Aharanov-Bohm (AB) interference can arise in transport experiments when magnetic flux threads through two or more transport channels. The existence of this behavior requires long-range ballistic transport and is typically observed only in exceptionally clean materials. We observe AB interference in wide (w ~ 100 nm) channels created at the LaAlO3/SrTiO3 interface using conductive AFM lithography. Interference occurs above a critical field B ~ 4 T and increases in magnitude with increasing magnetic field. The period of oscillation implies a ballistic length that greatly exceeds the micron-scale length of the channel, consistent with Fabry-Perot interference in 1D channels. The conditions under which AB oscillations are observed will be discussed in the context of the electron pairing mechanism in LaAlO3/SrTiO3. We gratefully acknowledge financial support from AFOSR (FA9550-10-1-0524 (JL), FA9550-12-1-0268 (JL), and FA9550-12-1-0342 (CBE)) and NSF (DMR-1124131 (JL), DMR-1104191 (JL), and DMR-1234096 (CBE)).

  16. Structure analysis of new homologous compounds Ga2O3(ZnO)m (m = integer) by high-resolution analytical transmission electron microscopy.

    PubMed

    Li; Bando; Nakamura; Kurashima; Kimizuka

    1999-06-01

    The crystal structure of a new homologous compound series, Ga(2)O(3)(ZnO)(m) (m = integer), is determined by high-resolution lattice imaging and high spatial resolution energy-dispersive X-ray spectroscopy (EDS) analysis in a field-emission analytical transmission electron microscope. This work was carried out mainly on the compound with m = 9 (digallium nonazinc dodecaoxide), which belongs to the orthorhombic system and has lattice constants a(o) = 0.33, b(o) = 2.0 and c(o) = 3.4 nm. From the extinction rules three possible space groups are selected and from them a unique space group is assigned as noncentrosymmetric Cmc2(1) (No. 36) on the basis of structural requirements. Ga(2)O(3)(ZnO)(m) is a layered structure consisting of Ga-O and m + 1 Ga/Zn-O layers stacked alternately along the c axis. It is shown that the structure of Ga(2)O(3)(ZnO)(m) differs from that of M(2)O(3)(ZnO)(m) (M = In, Fe; m = integer) reported previously. In Ga(2)O(3)(ZnO)(m) the Ga atoms occupy the tetrahedral sites in the Ga-O layers, whereas the M atoms in the M-O layers occupy the octahedral sites in M(2)O(3)(ZnO)(m) (M = In, Fe).

  17. Fundamental Bulk/Surface Structure Photoactivity Relationships of Supported (Rh2-yCryO3)/GaN Photocatalysts

    SciTech Connect

    Phivilay, Somphonh; Roberts, Charles; Puretzky, Alexander A; Domen, Kazunari Domen; Wachs, Israel

    2013-01-01

    ABSTRACT. The supported (Rh2-yCryO3)/GaN photocatalyst was examined as a model nitride photocatalyst system to assist in the development of fundamental structure photoactivity relationships for UV activated water splitting. Surface characterization of the outermost surface layers by High Sensitivity-LEIS and High Resolution-XPS revealed for the first time that the GaN support consists of a GaOx outermost surface layer and a thin film of GaOxNy in the surface region. HR-XPS also demonstrates that the supported (Rh2-yCryO3) mixed oxide nanoparticles (NPs) exclusively consist of Cr+3 and Rh+3 cations and are surface enriched for the supported (Rh2-yCryO3)/GaN photocatalyst. Bulk analysis by Raman and UV-vis spectroscopy show that the bulk molecular and electronic structures, respectively, of the GaN support are not perturbed by the deposition of the (Rh2-yCryO3) mixed oxide NPs. The function of the GaN bulk lattice is to generate photoexcited electrons/holes, with the electrons harnessed by the surface Rh+3 sites for evolution of H2 and the holes trapped at the Ga oxide/oxynitride surface sites for splitting of water and evolving O2. These new structure-photoactivity relationships for supported (Rh2-yCryO3)/GaN also extend to the best performing visible light activated supported (Rh2-yCryO3)/(Ga1-xZnx)(N1-xOx) photocatalyst.

  18. High Thermal Stability of La2O3- and CeO2-Stabilized Tetragonal ZrO2.

    PubMed

    Wang, Shichao; Xie, Hong; Lin, Yuyuan; Poeppelmeier, Kenneth R; Li, Tao; Winans, Randall E; Cui, Yanran; Ribeiro, Fabio H; Canlas, Christian P; Elam, Jeffrey W; Zhang, Hongbo; Marshall, Christopher L

    2016-03-01

    Catalyst support materials of tetragonal ZrO2, stabilized by either La2O3 (La2O3-ZrO2) or CeO2 (CeO2-ZrO2), were synthesized under hydrothermal conditions at 200 °C with NH4OH or tetramethylammonium hydroxide as the mineralizer. From in situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La2O3-ZrO2 and CeO2-ZrO2 supports were nonporous nanocrystallites that exhibited rectangular shapes with a thermal stability of up to 1000 °C in air. These supports had an average size of ∼ 10 nm and a surface area of 59-97 m(2)/g. The catalysts Pt/La2O3-ZrO2 and Pt/CeO2-ZrO2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3 to 12.4 wt %. Monodispersed Pt nanoparticles of ∼ 3 nm were obtained for these catalysts. The incorporation of La2O3 and CeO2 into the t-ZrO2 structure did not affect the nature of the active sites for the Pt/ZrO2 catalysts for the water-gas shift reaction.

  19. Interaction of SO2 and CO with the Ti2O3(101¯2) surface

    NASA Astrophysics Data System (ADS)

    Smith, Kevin E.; Henrich, Victor E.

    1985-10-01

    The interaction of sulfur dioxide with the nearly perfect (101¯2) surface of the corundum transition-metal oxide Ti2O3 has been studied using ultraviolet and x-ray photoemission spectroscopies and low-energy electron diffraction. The reaction of SO2 with Ti2O3 is found to be extremely vigorous, with SO2 adsorbing dissociatively and catalyzing the complete oxidation of the surface to TiO2 and TiS2. This result is significant since exposure to large amounts of O2 does not result in the production of large amounts of TiO2 at the Ti2O3 surface. Dissociative adsorption of SO2 continues for exposures up to at least 104 L (1 L=10-6Torr sec). The reaction is accompanied by large scale surface disorder and by an increase in the work function of 1.32 eV. In contrast, CO adsorbs molecularly for exposures >=105 L, with an extramolecular relaxation-polarization shift of 3.0 eV. For CO exposures <=104 L, the chemisorption mechanism is tentatively identified as dissociative adsorption at defect sites. Inclusive of this study, the interaction of four oxygen-containing molecules (SO2, CO, H2O, and O2) with Ti2O3(101¯2) surfaces has been studied, and their behavior is compared and trends isolated with a view to understanding the oxidation of Ti2O3.

  20. High thermal stability of La2O3 and CeO2-stabilized tetragonal ZrO2

    DOE PAGES

    Wang, Shichao; Xie, Hong; Lin, Yuyuan; Poeppelmeier, Kenneth R.; Li, Tao; Winans, Randall E.; Cui, Yanran; Ribeiro, Fabio H.; Canlas, Christian P.; Elam, Jeffrey W.; et al

    2016-02-15

    Catalyst support materials of tetragonal ZrO2, stabilized by either La2O3 (La2O3-ZrO2) or CeO2 (CeO2-ZrO2), were synthesized under hydrothermal conditions at 200 °C with NH4OH or tetramethylammonium hydroxide as the mineralizer. From In Situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La2O3-ZrO2 and CeO2-ZrO2 supports were nonporous nanocrystallites that exhibited rectangular shapes with thermal stability up to 1000 °C in air. These supports had an average size of ~10 nm and a surface area of 59-97 m2/g. The catalysts Pt/La2O3-ZrO2 and Pt/CeO2-ZrO2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3-12.4 wt %.more » Mono-dispersed Pt nanoparticles of ~3 nm were obtained for these catalysts. As a result, the incorporation of La2O3 and CeO2 into the t-ZrO2 structure did not affect the nature of the active sites for the Pt/ZrO2 catalysts for the water-gas-shift (WGS) reaction.« less

  1. Structural properties of Y2O3–Al2O3 liquids and glasses: An overview

    SciTech Connect

    Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.; Benmore, Chris J.; Weber, J. K.R.; Deschamps, Thierry; Champagnon, Bernard

    2015-01-01

    Liquids in the system Y2O3- Al2O3 have been the subject of considerable study because of the reported occurrence of a first-order density and entropy-driven liquid-liquid phase transition (LLPT) in the supercooled liquid state. The observations have become controversial because of the presence of crystalline material that can be formed simultaneously and that can mask the nucleation and growth of the lower density liquid. The previous work is summarized here along with arguments for and against the different viewpoints. Also two studies have been undertaken to investigate the LLPT in this refractory system with emphasis on determining the structure of unequivocally amorphous materials. These include the in situ high energy X-ray diffraction (HEXRD) of supercooled Y2O3 - Al2O3 liquids and the low frequency vibrational dynamics of recovered glasses. Manybody molecular dynamics simulations are also used to interpret the results of both studies. The HEXRD measurements, combined with aerodynamic levitation and rapid data acquisition techniques, show that for the 20 mol% Y2O3 (i.e. AlY20) liquid there is a shift in the position of the first peak in the diffraction pattern over a narrow temperature range (2100-1800 K) prior to crystallization. Microbeam Raman spectroscopy measurements made on AlY20 glasses clearly show contrasting spectra in the low frequency part of the spectrum for low(LDA) and high-density (HDA) glassy regions. The molecular dynamics simulations identify contrasting coordination environments around oxygen anions for the high- (HDL) and low-density (LDL) liquids. (C) 2014 Elsevier B.V. All rights reserved.

  2. Improved high temperature integration of Al2O3 on MoS2 by using a metal oxide buffer layer

    NASA Astrophysics Data System (ADS)

    Son, Seokki; Yu, Sunmoon; Choi, Moonseok; Kim, Dohyung; Choi, Changhwan

    2015-01-01

    We deposited a metal oxide buffer layer before atomic layer deposition (ALD) of Al2O3 onto exfoliated molybdenum disulfide (MoS2) in order to accomplish enhanced integration. We demonstrate that even at a high temperature, functionalization of MoS2 by means of a metal oxide buffer layer can effectively provide nucleation sites for ALD precursors, enabling much better surface coverage of Al2O3. It is shown that using a metal oxide buffer layer not only allows high temperature ALD process, resulting in highly improved quality of Al2O3/MoS2 interface, but also leaves MoS2 intact.

  3. Effect of ionic radii on the Curie temperature in Ba1-x-ySrxCayTiO3 compounds

    PubMed Central

    Berenov, A.; Le Goupil, F.; Alford, N.

    2016-01-01

    A series of Ba1-x-ySrxCayTiO3 compounds were prepared with varying average ionic radii and cation disorder on A-site. All samples showed typical ferroelectric behavior. A simple empirical equation correlated Curie temperature, TC, with the values of ionic radii of A-site cations. This correlation was related to the distortion of TiO6 octahedra observed during neutron diffraction studies. The equation was used for the selection of compounds with predetermined values of TC. The effects of A-site ionic radii on the temperatures of phase transitions in Ba1-x-ySrxCayTiO3 were discussed. PMID:27324841

  4. Off-centering of rare-earth ion in (Ba,R)(Ti,Mg)O3 (R = Gd, Dy)

    NASA Astrophysics Data System (ADS)

    Takeda, Shoichi; Yasuda, Satoshi; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Honda, Atsushi; Inoue, Noriyuki; Higai, Shin'ichi; Ando, Akira

    2016-10-01

    To investigate the off-centering behavior of rare-earth ions that were partially substituted for A site ions in ABO3-type crystals, accurate crystal structure analyses of (Ba,R)(Ti,Mg)O3 (R = Gd, Dy) were performed by high-energy synchrotron radiation X-ray powder diffraction analysis and the maximum entropy method (MEM)/Rietveld method. The R ions were observed at the six equivalent off-center sites in the <100> directions from the corner of a unit cell in the cubic phase. In the tetragonal phase, the R ions occupied one off-center site along the [001] direction. The R off-centering can be attributed to the covalent nature of the bond between the R and O ions in (Ba,R)(Ti,Mg)O3 crystals.

  5. Microstructural Characterization and Strengthening-Toughening Mechanism of Plasma-Sprayed Al2O3-Cr2O3 Composite Coatings

    NASA Astrophysics Data System (ADS)

    Yang, Kai; Feng, Jingwei; Zhou, Xiaming; Tao, Shunyan

    2012-09-01

    In this study, Al2O3, Cr2O3, and Al2O3-Cr2O3 coatings were fabricated by plasma spraying. X-ray diffraction was employed to determine the phase composition of powders and coatings. The morphologies and microstructures of the coatings were characterized using electron probe microanalyzer and transmission electron microscopy. Vickers hardness, fracture toughness, and bending strength of the coatings were measured. Al2O3-Cr2O3 composite coatings show better comprehensive mechanical properties than the individual Al2O3 and Cr2O3 coatings, which are attributed to the former's larger intersplat adhesion or interlamellar cohesion and lower porosity. Solid solution strengthens the phase interfaces and grain boundaries, which is beneficial to improve the mechanical performance of the composite coatings.

  6. Roles of Fe2+, Fe3+, and Cr3+ Surface Sites in the Oxidation of NO on the (Fe,Cr)3O4(1 1 1) Surface Termination of an α-(Fe,Cr)2O3(0 0 0 1) Mixed Oxide

    SciTech Connect

    Henderson, Michael A.

    2014-10-01

    The oxidation and photooxidation reactions of nitric oxide were explored on a mixed Fe and Cr mixed oxide surface using temperature programmed desorption (TPD). The mixed oxide surface examined initially had a corundum (0001) structure with a nominal cation composition of 75% Fe and 25% Cr, but after sputter/anneal cleaning was transformed into a magnetite-like (111) surface structure enriched with Cr (~40%). TPD studies of nitric oxide on the (Fe,Cr)3O4(111) surface revealed two main desorption states at 220 and 370 K, along with a third minor desorption state at ~310 K. Similarly, O2 TPD occurred in two main TPD states (100 and 230 K) and a minor state (155 K). The more strongly and weakly bound NO and O2 molecules were assigned to adsorption at Fe2+ and Fe3+ sites, respectively, with the minor desorption states assigned to Cr3+ sites. No thermal decomposition or surface chemistry was detected in TPD for adsorbed NO (e.g., no N2 or N2O formation), whereas ~10% of the adsorbed O2 irreversibly dissociated at Fe2+ sites. These dissociated oxygen species did not react with coadsorbed NO, but instead blocked NO adsorption at the Fe2+ sites, but had no effect on NO adsorption at Fe3+ sites. In contrast, NO reacted with preadsorbed O2 molecules to generate an adsorbed nitrate/nitrite species that decomposed in TPD to liberate NO at 425 K, leaving an O atom on the surface. Coadsorption of 15N18O with 16O2 suggests the oxidized species was a nitrate based on the detected level of oxygen scrambling. Preadsorption of O2 was required for nitrate formation as preadsorbed NO blocked both O2 adsorption and the oxidation reaction. Irradiation of adsorbed NO with 460 nm light at 40 K resulted in rapid photodesorption of NO without generation of any new surface species. Irradiation of the coadsorbed NO+O2 system did not promote additional NO oxidation, but limited the extent of thermal NO oxidation (in subsequent TPD) by photodepleting the surface of adsorbed NO. Preheating the NO

  7. Impedance-based interpretations in 2-dimensional electron gas conduction formed in the LaAlO3/SrxCa1-xTiO3/SrTiO3 system

    NASA Astrophysics Data System (ADS)

    Park, Chan-Rok; Moon, Seon Young; Park, Da-Hee; Kim, Shin-Ik; Kim, Seong-Keun; Kang, Chong-Yun; Baek, Seung-Hyub; Choi, Jung-Hae; Kim, Jin-Sang; Choi, Eunsoo; Hwang, Jin-Ha

    2016-06-01

    Frequency-dependent impedance spectroscopy was applied to the 2-dimensioanl conduction transport in the LaAlO3/SrxCa1-xTiO3/SrTiO3 system. The 2-dimensional conduction modifies the electrical/dielectric responses of the LaAlO3/SrxCa1-xTiO3/SrTiO3 depending on the magnitude of the interfacial 2-dimensional resistance. The high conduction of the 2-dimensional electron gas (2DEG) layer can be described using a metallic resistor in series with two parallel RC circuits. However, the high resistance of the 2-dimensional layer drives the composite system from a finite low resistor in parallel with the surrounding dielectrics composed of LaAlO3 and SrTiO3 materials to a dielectric capacitor. This change in the resistance of the 2-dimensional layers modifies the overall impedance enabled by the presence of the interfacial layer due to SrxCa1-xTiO3, which alters the charge transport of the 2-dimensional layer from metallic to semiconducting conduction. A noticeable change is observed in the capacitance Bode plots, indicating highly amplified dielectric constants compared with the pristine SrTiO3 substrates and SrxCa1-xTiO3 with a greater Ca content.

  8. Effects of Hexagonal BaTiO3 Addition on Textured BaTiO3 Thick Films Prepared by Screen Printing

    NASA Astrophysics Data System (ADS)

    Sakai, Yuichi; Futakuchi, Tomoaki

    2013-09-01

    The effects of hexagonal BaTiO3 addition to BaTiO3 thick films were examined. A- and c-axis-preferred BaTiO3 thick films were prepared by hexagonal BaTiO3 addition. The addition of the hexagonal Ba(Ti0.96Mn0.04)O3 was more effective for preparing the a- and c-axis-preferred thick films than the addition of the hexagonal BaTiO3 prepared by reducing BaTiO3 in a 3% H2-N2 atmosphere. According to increases in the firing time at 1370 °C, the Mn of Ba(Ti0.96Mn0.04)O3 in the Ba(Ti0.96Mn0.04)O3-added BaTiO3 thick films was diffused, and the hexagonal phase in the thick films changed to the tetragonal phase. The degree of the preferred orientation of the Ba(Ti0.96Mn0.04)O3-added BaTiO3 thick films increased with increasing firing time. The hexagonal-phase ratio of the reduced BaTiO3-added BaTiO3 thick films decreased markedly when the firing temperature was above 1000 °C. The existence of the hexagonal phase at 1370 °C in which the grain growth advanced could be important in obtaining highly oriented thick films. The tan δ values of the Ba(Ti0.96Mn0.04)O3-added BaTiO3 thick films were lower than 3%. The remanent polarizations of the thick films were greater than 7 µC/cm2.

  9. Non-polar electromagnon in hexa- YMnO3

    NASA Astrophysics Data System (ADS)

    Simpson, J. R.; Sushkov, A. B.; Drew, H. D.; Mostovoy, M.; Gozar, A.; Blumberg, G.; Lee, N.; Cheong, S.-W.

    2011-03-01

    Coupled magnon-phonon excitations in magnetic materials have been observed in multiferroic materials and involve the polar optical phonons. Such excitations may be more general, occurring in non-ferroelectric magnets and involving non-polar (Raman or silent) phonons. Temperature-dependent Raman spectra of low-frequency excitations in single-crystal h- YMn O3 are measured using a triple-grating spectrometer. We compare the spectral intensity of magnons to changes in the Raman-active phonons above and below the Neel temperature. Raman and infrared experimental results on h-YMnO3 demonstrate that the 5 meV hybrid mode observed in neutron scattering is an example of a Raman electromagnon.

  10. Structure of Gd2O3 nanoparticles at high temperature

    NASA Astrophysics Data System (ADS)

    Jamnezhad, H.; Jafari, M.

    2016-06-01

    The present study aimed to investigate the structure of Gd2O3 nanoparticles by X-ray diffraction between 25 °C and 1000 °C and compare it with the bulk sample. For the nanoparticles at room temperature, the structure was monoclinic; with an increase in temperature, mixed phases containing the monoclinic and cubic phases were observe between 500 °C and 1000 °C, whereas the bulk sample was transformed from cubic (at room temperature) into hexagonal structures at high pressure. The trends observed for nanoparticles and bulk materials may be different. The scanning electron microscope (SEM) analyses confirmed the existence of Gd2O3 nanoparticles. Moreover, since this material has the magnetic properties, especially during the phase transition, so it was one of the point of our attention in this paper.

  11. 55 Mn NMR for Antiferromagnetic α- Mn2 O 3

    NASA Astrophysics Data System (ADS)

    Jo, Euna; Kim, Changsoo; Lee, Soonchil

    2011-03-01

    The zero-field 55 Mn NMR spectrum for antiferromagnetic α - Mn 2 O3 was measured at low temperatures. Manganese sesquioxide (Mn 2 O3) is used in combustion catalysis, a method of reducing the emissions of organic compounds and nitrous oxide from waste gas, as an environmentally - friendly and inexpensive catalyzer instead of Pt and Pd. The magnetic moment estimated from the resonance frequency was 2.6 μB per Mn 3+ ion. The temperature dependence of the sublattice magnetization fits not Bloch's T2 law well but the exponential form applicable because there is an initial energy gap in the dispersion relation of the spin wave. From the fitting, an energy gap of 1.82 meV and an anisotropy energy of 0.22 meV were obtained. The spin-spin relaxation rate was measured as a function of the frequency and the Suhl-Nakamura interaction is suppressed by this energy gap.

  12. Fast neutron detection with Al 2O 3 thermoluminescence dosimeter

    NASA Astrophysics Data System (ADS)

    Ranogajec-Komor, Maria; Osvay, Margit; Dvornik, Igor; Biró, Tamàs

    1983-07-01

    The technique of thermoluminescent (TL) dosimeter activation can be used to detect any radiation making TL dosimeters radioactive. In the experiment discussed in this paper Al2O3:Mg, Y TL dosimeters were irradiated by cyclotron neutrons with 5±1 MeV mean energy and by accompanying gamma rays. The gamma and the fast neutron component can be separately measured by the same dosimeter. Because of low neutron sensitivity of Al2O3 the gamma dose can be determined by the first TL reading while the 27Al(n, α)24 Na reaction provides the possibility of fast neutron detection by the subsequent reading of thermoluminescence induced in the TL material by the decay of 24Na.

  13. Cation self-diffusion in Fe2O3

    NASA Astrophysics Data System (ADS)

    Hoshino, K.; Peterson, N. L.

    Self-diffusion of Fe(59) in single crystals of Fe2O3 parallel to the c-axis has been measured as a function of temperature (1150 to 1340 C) and oxygen partial pressure 0.002 less than or equal to Po2 less than or equal to 1 atm). The oxygen partial pressure dependence of the diffusivity indicates that cation self-diffusion occurs by an interstitial-type mechanism. The simultaneous diffusion of Fe(52) and Fe(59) was measured in Fe2O3 at 1251 C and Po2 = .0191 atm. The small value of the isotope effect (f(DELTA)K = 0.067 + or - 0.016) is consistent with diffusion of Fe ions by an interstitially mechanism.

  14. Possible magnetic structures of EuZrO3

    NASA Astrophysics Data System (ADS)

    Hu, Ai-Yuan; Qin, Guo-Ping; Wu, Zhi-Min; Cui, Yu-Ting

    2015-06-01

    A comprehensive research of the antiferromagnetic (AFM) structures of perovskite-type EuZrO3 is carried out by use of the double-time Green’s function. Two possible types of AFM configurations are considered, and theoretical results are compared with experimental results to extract the values of parameters J1, J2, and D. The obtained exchanges are employed to calculate the magnetic susceptibility, which is then in turn compared with the experimental one. Therefore, we think that the magnetic structure of EuZrO3 may be an isotropic G-type structure or an anisotropic A-type structure. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404046, 11347217, and 61201119), the Basic Research Foundation of Chongqing Education Committee, China (Grant No. KJ130615), and the Chongqing Science & Technology Committee, China (Grant Nos. cstc2014jcyjA50013 and cstc2013jjB50001).

  15. The Bi based superconductors doped with B 2O 3

    NASA Astrophysics Data System (ADS)

    Veverka, M.; Smrčková, O.; Sýkorová, D.; Vašek, P.

    1997-04-01

    The influence of the addition of B2O3on the properties of the oxide ceramic materials Bi-Pb-Sr-Ca-Cu-O was investigated. The samples with nominal com-posi-tion BiaPbbBcSr2Ca2Cu3Ox(a = 0.8-1.6,b = 0.06-0.26,c = 0.05-1.0) were prepared and studied by the measurement of the temperature dependence of the electrical resistivity and critical current density. The addition of a small amount of B2O3(c = 0.05,a = 1.8,b = 0.26) had positive influence on the critical current density. On the other hand, a high content of boron (c > 0.6,b = 0.26,a + b = 1.8) reversed the superconductor to an insulator.

  16. High-field magnetization of Dy2O3

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1974-01-01

    The magnetization of powdered samples of Dy2O3 has been measured at temperatures between 1.45 deg and 4.2 K, in applied magnetic fields ranging to 7 Teslas. A linear dependence of magnetization on applied field is observable in high field region, the slope of which is independent of temperature over the range investigated. The extrapolated saturation magnetic moment is 2.77 + or - 0.08 Bohr magnetons per ion.

  17. High-field magnetization of Dy2O3

    NASA Technical Reports Server (NTRS)

    Flood, D. J.

    1974-01-01

    The magnetization of powdered samples of Dy2O3 has been measured at temperatures between 1.45 and 4.2 K, in applied magnetic fields ranging to 70 kilogauss. A linear dependence of magnetization on applied field is observable in the high-field region, the slope of which is independent of temperature over the range investigated. The extrapolated saturation magnetic moment is about 2.77 Bohr magnetons per ion.

  18. Waveguide Deflector In Lithium Niobate (LiNbO3)

    NASA Astrophysics Data System (ADS)

    Tardieu, A.; Clair, JJ.

    1983-10-01

    We describe the realization of an ultra fast deflector in Ti-diffused LiNbO3 waveguide. We realize practically in 100 ns a linear scanning of an optical beam crossing the component. A driving voltage of 35 volts gives a deflection angle of one degree and the voltage causing deflection to the first spot position (following the Rayleigh resolution criterion) is 10 volts.

  19. Crystal phase structure investigation in the process of radiation-thermal transformations in systems SrO-Fe2O3, SrCO3-Fe2O3 (perovskite) and garnet Y2O3-Fe2O3

    NASA Astrophysics Data System (ADS)

    Ancharova, U. V.; Mikhailenko, M. A.; Tolochko, B. P.; Lyakhov, N. Z.; Korobeinikov, M. V.; Bryazgin, A. A.; Vinokurov, Z. S.; Selyutin, A. G.

    2016-02-01

    Chemical reactions products structural investigations during thermal and radiation- thermal processes are presented. The reaction mixtures were prepared by mechanical activation of stoichiometric compounds corresponding to synthesis reaction of strontium ferrite with perovskite structure (SrFeO3-s) or ferro-garnet (Y3Fe5O12). The phase formation staging changes dramatically depending on the temperature and the way of the high-temperature treatment.

  20. Efficient lasing in Yb:(YLa)2O3 ceramics

    NASA Astrophysics Data System (ADS)

    Snetkov, I. L.; Mukhin, I. B.; Balabanov, S. S.; Permin, D. A.; Palashov, O. V.

    2015-02-01

    A high-optical-quality sample of Yb0.1Y1.7La0.2O3 ceramics is prepared using a recently developed technique of selfpropagating high-temperature synthesis of rare-earth-doped yttrium oxide nanopowder from acetate - nitrates of metals. Its optical and spectral characteristics are studied, and quasi-cw lasing at a wavelength of 1033 nm is achieved with a power of 7 W and a slope efficiency of 25%.

  1. A compact receiver system for simultaneous measurements of mesospheric CO and O3

    NASA Astrophysics Data System (ADS)

    Forkman, P.; Christensen, O. M.; Eriksson, P.; Billade, B.; Vassilev, V.; Shulga, V. M.

    2016-02-01

    During the last decades, ground-based microwave radiometry has matured into an established remote sensing technique for measuring vertical profiles of a number of gases in the stratosphere and the mesosphere. Microwave radiometry is the only ground-based technique that can provide vertical profiles of gases in the upper stratosphere and mesosphere both day and night, and even during cloudy conditions. Except for microwave instruments placed at high-altitude sites, or at sites with dry atmospheric conditions, only molecules with significant emission lines below 150 GHz, such as CO, H2O, and O3, can be observed. Vertical profiles of these molecules can give important information about chemistry and dynamics in the middle atmosphere. Today these measurements are performed at relatively few sites; more simple and reliable instrument solutions are required to make the measurement technique more widely spread. This need is urgent today as the number of satellite sensors observing the middle atmosphere is about to decrease drastically. In this study a compact double-sideband frequency-switched radiometer system for simultaneous observations of mesospheric CO at 115.27 GHz and O3 at 110.84 GHz is presented. The radiometer, its calibration scheme, and its observation method are presented. The retrieval procedure, including compensation of the different tropospheric attenuations at the two frequencies and error characterization, are also described. The first measurement series from October 2014 until April 2015 taken at the Onsala Space Observatory, OSO (57° N, 12° E), is analysed. The retrieved vertical profiles are compared with co-located CO and O3 data from the MLS instrument on the Aura satellite. The data sets from the instruments agree well with each other. The main differences are the higher OSO volume mixing ratios of O3 in the upper mesosphere during the winter nights and the higher OSO volume mixing ratios of CO in the mesosphere during the winter. The low bias

  2. A~compact receiver system for simultaneous measurements of mesospheric CO and O3

    NASA Astrophysics Data System (ADS)

    Forkman, P.; Christensen, O. M.; Eriksson, P.; Billade, B.; Vassilev, V.; Shulga, V. M.

    2015-09-01

    During the last decades, ground-based microwave radiometry has matured to an established remote sensing technique for measuring vertical profiles of a number of gases in the stratosphere and the mesosphere. Microwave radiometry is the only ground-based technique that can provide vertical profiles of gases in the upper stratosphere and mesosphere both day and night, and even during cloudy conditions. Except for microwave instruments placed at high altitude sites, or at sites with dry atmospheric conditions, only molecules with significant emission lines below 150 GHz, such as CO, H2O and O3 can be observed. Vertical profiles of these molecules can give important information about chemistry and dynamics in the middle atmosphere. Today these measurements are performed at relatively few sites, more simple and reliable instrument solutions are required to make the measurement technique more widely spread. This need is today urgent as the number of satellite sensors observing the middle atmosphere is about to decrease drastically. In this study a compact double-sideband frequency-switched radiometer system for simultaneous observations of mesospheric CO at 115.27 GHz and O3 at 110.84 GHz is presented The radiometer, its calibration scheme and observation method are presented. The retrieval procedure, including compensation of the different tropospheric attenuation at the two frequencies, and error characterization are also described. The first measurement series from October 2014 until April 2015 taken at the Onsala Space Observatory, OSO, (57° N, 12° E) is analysed. The retrieved vertical profiles are compared with co-located CO and O3 data from the MLS instrument on the Aura satellite. The datasets from the instruments agree well to each other. The main differences are the higher OSO volume mixing ratios of O3 in the upper mesosphere during the winter nights and the higher OSO volume mixing ratios of CO in the mesosphere during the winter. The low bias of mesospheric

  3. Electric-field-induced Shift in the Threshold Voltage in LaAlO3/SrTiO3 Heterostructures

    PubMed Central

    Kim, Seong Keun; Kim, Shin-Ik; Lim, Hyungkwang; Jeong, Doo Seok; Kwon, Beomjin; Baek, Seung-Hyub; Kim, Jin-Sang

    2015-01-01

    The two-dimensional electron gas (2DEG) at the interface between insulating LaAlO3 and SrTiO3 is intriguing both as a fundamental science topic and for possible applications in electronics or sensors. For example, because the electrical conductance of the 2DEG at the LaAlO3/SrTiO3 interface can be tuned by applying an electric field, new electronic devices utilizing the 2DEG at the LaAlO3/SrTiO3 interface could be possible. For the implementation of field-effect devices utilizing the 2DEG, determining the on/off switching voltage for the devices and ensuring their stability are essential. However, the factors influencing the threshold voltage have not been extensively investigated. Here, we report the voltage-induced shift of the threshold voltage of Pt/LaAlO3/SrTiO3 heterostructures. A large negative voltage induces an irreversible positive shift in the threshold voltage. In fact, after the application of such a large negative voltage, the original threshold voltage cannot be recovered even by application of a large positive electric field. This irreversibility is attributed to the generation of deep traps near the LaAlO3/SrTiO3 interface under the negative voltage. This finding could contribute to the implementation of nanoelectronic devices using the 2DEG at the LaAlO3/SrTiO3 interface. PMID:25620684

  4. Photoconductivity of Graphene in Proximity to La AlO3 /Sr TiO3 Heterostructures: Phenomenon and Photosensor Applications

    NASA Astrophysics Data System (ADS)

    Cheng, Long; Fan, Xiaodong; Wei, Laiming; Lu, Juanjuan; Liang, Haixing; Qi, Ji; Zeng, Changgan

    2016-07-01

    The proximal coupling between graphene and transition-metal-oxide heterostructures may integrate their unique features and further generate emergent states. Using the photoconductivity of graphene as an effective probe, we demonstrate the existence of a built-in polar field within the La AlO3 layer of the La AlO3 /Sr TiO3 heterostructures for both conducting and insulating La AlO3 /Sr TiO3 interfaces. Such a polar field is a prerequisite for the validity of the electronic reconstruction mechanism for the interfacial conductivity. The built-in polar field is reflected by the hole doping in the graphene in proximity to the La AlO3 /Sr TiO3 induced by pulsed deep-ultraviolet illumination regardless of the graphene's carrier type. These photoresponse characteristics also render the graphene /La AlO3 /Sr TiO3 hybrid system a convenient deep-ultraviolet sensor. Moreover, we design an efficient broad-spectrum photodetector benefiting from the large in-plane electric field in graphene across the boundary between the graphene/La AlO3 /Sr TiO3 and graphene/Sr TiO3 . Our findings may provide clues to the design of photosensors based on the hybrid structures of graphene and oxide heterostructures.

  5. Electric-field-induced shift in the threshold voltage in LaAlO3/SrTiO3 heterostructures.

    PubMed

    Kim, Seong Keun; Kim, Shin-Ik; Lim, Hyungkwang; Jeong, Doo Seok; Kwon, Beomjin; Baek, Seung-Hyub; Kim, Jin-Sang

    2015-01-01

    The two-dimensional electron gas (2DEG) at the interface between insulating LaAlO3 and SrTiO3 is intriguing both as a fundamental science topic and for possible applications in electronics or sensors. For example, because the electrical conductance of the 2DEG at the LaAlO3/SrTiO3 interface can be tuned by applying an electric field, new electronic devices utilizing the 2DEG at the LaAlO3/SrTiO3 interface could be possible. For the implementation of field-effect devices utilizing the 2DEG, determining the on/off switching voltage for the devices and ensuring their stability are essential. However, the factors influencing the threshold voltage have not been extensively investigated. Here, we report the voltage-induced shift of the threshold voltage of Pt/LaAlO3/SrTiO3 heterostructures. A large negative voltage induces an irreversible positive shift in the threshold voltage. In fact, after the application of such a large negative voltage, the original threshold voltage cannot be recovered even by application of a large positive electric field. This irreversibility is attributed to the generation of deep traps near the LaAlO3/SrTiO3 interface under the negative voltage. This finding could contribute to the implementation of nanoelectronic devices using the 2DEG at the LaAlO3/SrTiO3 interface. PMID:25620684

  6. Isotope exchange reaction on Li 2ZrO 3

    NASA Astrophysics Data System (ADS)

    Baba, Atsushi; Nishikawa, Masabumi; Eguchi, Takanori

    1997-11-01

    Lithium meta-zirconate, Li 2ZrO 3, is considered as a strong candidate for the tritium breeding material in a D-T fusion reactor. The isotope exchange reaction rate between hydrogen isotopes in the purge gas and tritium on the surface of Li 2ZrO 3 has not been quantified yet, although helium gas with hydrogen or deuterium is planned to be used as the blanket purge gas in the recent blanket designs. The mass transfer coefficient representing the isotope exchange reaction between H 2 and D 2O or that between D 2 and H 2O in the Li 2ZrO 3 is experimentally obtained as KF,ex1 = 1.60 × 10 2 exp(- 121[kJ/mol]/RT) in this work. Discussions about the effect of temperature, concentration of hydrogen in the purge gas or flow rate of the purge gas on the conversion of tritiated water to tritium gas, HT instead of H 2, are also performed.

  7. Magnetoelectric effect in Cr2O3 thin films

    NASA Astrophysics Data System (ADS)

    He, Xi; Wang, Yi; Sahoo, Sarbeswar; Binek, Christian

    2008-03-01

    Magnetoelectric materials experienced a recent revival as promising components of novel spintronic devices [1, 2, 3]. Since the magnetoelectric (ME) effect is relativistically small in traditional antiferromagnetic compounds like Cr2O3 (max. αzz 4ps/m ) and also cross- coupling between ferroic order parameters is typically small in the modern multiferroics, it is a challenge to electrically induce sufficient magnetization required for the envisioned device applications. A straightforward approach is to increase the electric field at constant voltage by reducing the thickness of the ME material to thin films of a few nm. Since magnetism is known to be affected by geometrical confinement thickness dependence of the ME effect in thin film Cr2O3 is expected. We grow (111) textured Cr2O3 films with various thicknesses below 500 nm and study the ME effect for various ME annealing conditions as a function of temperature with the help of Kerr-magnetometry. [1] P. Borisov et al. Phys. Rev. Lett. 94, 117203 (2005). [2] Ch. Binek, B.Doudin, J. Phys. Condens. Matter 17, L39 (2005). [3] R. Ramesh and Nicola A. Spaldin 2007 Nature Materials 6 21.

  8. Characterization of low-temperature-grown epitaxial BaPbO 3 and Pb(Zr,Ti)O 3/BaPbO 3 films on SrTiO 3 substrates

    NASA Astrophysics Data System (ADS)

    Liang, Chun-Sheng; Lee, Yi-Hsien; Wu, Jenn-Ming

    2005-10-01

    The epitaxial BaPbO 3 (BPO) and Pb(Zr,Ti)O 3 (PZT)/BPO films were grown on (0 0 1)- and (1 1 1)-oriented SrTiO 3 (STO) substrates by RF-magnetron sputtering. With the self-template of BPO buffer layer (deposited at 650 °C), BPO main layer and PZT films can be epitaxially grown at temperatures as low as 350 and 475 °C, respectively. The (0 0 1)-oriented BPO film showed a rougher surface and higher work function compared to the (2 2 2)-oriented film. The crystallinity and resistivity of BPO films were independent of their orientation. However, the crystallinity of PZT deposited afterward depends greatly on the orientation of BPO. The crystallinity of PZT deposited on BPO/STO(1 1 1) is significantly higher than that on BPO/STO(0 0 1). The remnant polarization, coercive field, dielectric constant, and resistivity of the PZT/BPO/STO(1 1 1) heterostructure were 35.54 μC/cm 2, 102.67 kV/cm, 242, and 1.1-1.6×10 11 Ω cm, respectively, which are much better than those of the PZT/BPO/STO(0 0 1) heterostructures.

  9. Identification of electronic state in perovskite CaCr O3 by high-pressure studies

    NASA Astrophysics Data System (ADS)

    Zhou, J.-S.; Alonso, J. A.; Sanchez-Benitez, J.; Fernandez-Diaz, M. T.; Martinez-Coronado, R.; Cao, L.-P.; Li, X.; Marshall, L. G.; Jin, C.-Q.; Goodenough, J. B.

    2015-10-01

    CaCr O3 is at the crossover from localized to itinerant electronic behavior, and interpretation of its electronic state has remained controversial. It is a metal from an optical study. However, the collinear type-C antiferromagnetic spin ordering below TN≈90 K is characteristic of localized electron magnetism. We have performed many runs of high-pressure synthesis. CaCr O3 crystals can be found in some batches. We have used specific-heat measurement as a diagnostic tool to probe the electronic states near the Fermi energy. An electronic bandwidth is broadened by applying high pressure. The magnetization measurement under pressure reveals a d TN/d P <0 . The crystal structural change corresponding to the pressure-induced electron structural change has been monitored by in situ neutron diffraction under high pressure. The t22 d-electron configuration on octahedral site C r4 + is orbitally threefold degenerate. Local site distortions are argued to show that in CaCr O3 the crossover from localized to itinerant 3d electrons does not result in a charge-density wave in which segregation of the interatomic interactions results in the stabilization of molecular clusters, but in an intraatomic orbital ordering that stabilizes a half-filled localized-electron x y orbital and a 1 /4 -filled c -axis π* band. Local structural changes under pressure reveal a weakening of long-range magnetic order is associated with a smooth Mott-Hubbard transition of the x y electrons.

  10. Sharp R-lines in absorption and emission of Cr3 in stoichiometric (VTE) LiNbO3

    NASA Astrophysics Data System (ADS)

    Fischer, C.; Kapphan, S.; Feng, Xi-Qi; Cheng, Ning

    R-line absorption and luminescence spectra of Cr3+ doped LiNbO3 show a distinct dependence on crystal stoichiometry. In the Cr3+ R-line region around 730 nm, up to five transitions can be observed in absorption and emission. In stoichiometric LiNbO3:Cr crystals the line width (FWHM) in both absorption and emission decreases by about a factor of 2.5 in comparison with the same transitions in congruent samples. The emission line at lowest energy in the R-line spectrum (λ = 734.5 nm) disappears completely in stoichiometric LiNbO3:Cr. This results, discussed together with models dealing with charge compensated Cr3+ pairs on Li and Nb sites and unpaired Cr3+ on Li site, is indicating a vanishing of the unpaired Cr3+Li with increasing [Li]/[Nb] ratio. Luminescence lifetime measurements in stoichiometric LiNbO3:Cr reveal values similar to results for congruent material of τ = 295 μs for the 731 nm line and τ = 268 μs for the 735 nm line, underlining the R-line character of these transitions.

  11. Structure and optical properties of [In1-2xSnxZnx]GaO3(ZnO)m

    NASA Astrophysics Data System (ADS)

    Eichhorn, Simon; Mader, Werner

    2016-01-01

    Compounds of [In1-2xSnxZnx]GaO3(ZnO)1 (x≤0.22) and [In1-2xSnxZnx]GaO3(ZnO)2 (x≤0.42) were prepared by solid state processing proving a substantial solid solution of Sn in the layered compounds InGaO3(ZnO)m (m=1, 2). Single crystal X-ray diffraction of the compounds reveals two In3+ ions to be substituted by one Sn4+ and one Zn2+ at the octahedral layer preserving the average charge of +3 at these sites. The substitution does not lead to an ordering of the ions but proves for the first time that the octahedral site can be occupied by different ions while all characteristics of the layered structures remain unchanged. Consequences of indium substitution are (i) decrease of the a axis compared to InGaO3(ZnO)m according to smaller ionic radii of Sn4+ and Zn2+ compared to In3+ and (ii) shift of the optical band gap to higher energies shown by UV-vis measurements.

  12. Investigating the influence of long-range transport on surface O3 in Nevada, USA, using observations from multiple measurement platforms.

    PubMed

    Fine, Rebekka; Miller, Matthieu B; Yates, Emma L; Iraci, Laura T; Gustin, Mae Sexauer

    2015-10-15

    The current United States (US) National Ambient Air Quality Standard (NAAQS) for O3 (75 ppb) is expected to be revised to between 60 and 70 ppb. As the NAAQS becomes more stringent, characterizing the extent of O3 and precursors transported into the US is increasingly important. Given the high elevation, complex terrain, and location in the Intermountain West, the State of Nevada is ideally situated to intercept air transported into the US. Until recently, measurements of O3 and associated pollutants were limited to areas in and around the cities of Las Vegas and Reno. In 2011, the Nevada Rural Ozone Initiative began and through this project 13 surface monitoring sites were established. Also in 2011, the NASA Ames Alpha Jet Atmospheric eXperiment (AJAX) began making routine aircraft measurements of O3 and other greenhouse gases in Nevada. The availability of aircraft and surface measurements in a relatively rural, remote setting in the Intermountain West presented a unique opportunity to investigate sources contributing to the O3 observed in Nevada. Our analyses indicate that stratosphere to troposphere transport, long-range transport of Asian pollution, and regional emissions from urban areas and wildfires influence surface observations. The complexity of sources identified here along with the fact that O3 frequently approaches the threshold being considered for a revised NAAQS indicate that interstate and international cooperation will be necessary to achieve compliance with a more stringent regulatory standard. Further, on a seasonal basis we found no significant difference between daily 1-h maximum O3 at surface sites, which ranged in elevation from 888 to 2307 m, and aircraft measurements of O3 <2500 m which suggests that similar processes influence daytime O3 across rural Nevada and indicates that column measurements from Railroad Valley, NV are useful in understanding these processes. PMID:25845306

  13. Unexpected observation of splitting of skyrmion phase in Zn doped Cu2OSeO3

    PubMed Central

    Wu, H. C.; Wei, T. Y.; Chandrasekhar, K. D.; Chen, T. Y.; Berger, H.; Yang, H. D.

    2015-01-01

    Polycrystalline (Cu1−xZnx)2OSeO3 (0 ≤ x ≤ 0.2) samples were synthesized using solid-state reaction and characterized by X-ray diffraction (XRD). The effect of Zn doping upon saturation magnetization (MS) indicates that the Zn favors to occupying Cu(II) square pyramidal crystallographic site. The AC susceptibility (χ′ac) was measured at various temperatures (χ′ac–T) and magnetic field strengths (χ′ac–H). The Zn doping concentration is found to affect greatly the M-T and χ′ac-T. The skyrmion phase has been inferred from the χ′ac-H data, and then indicated within the H-T phase diagrams for various Zn doping concentrations. The striking and unexpected observation is that the skyrmion phase region becomes split upon Zn doping concentration. Interestingly, second conical boundary accompanied by second skyrmion phase was also observed from dχ′ac/dH vs. H curves. Atomic site disorder created by the chemical doping modulates the delicate magnetic interactions via change in the Dzyaloshinskii-Moriya (DM) vector of distorted Cu(II) square pyramidal, thereby splitting of skyrmion phase might occur. These findings illustrate the potential of using chemical and atomic modification for tuning the temperature and field dependence of skyrmion phase of Cu2OSeO3. PMID:26350508

  14. Unexpected observation of splitting of skyrmion phase in Zn doped Cu2OSeO3

    NASA Astrophysics Data System (ADS)

    Yang, Hung-Duen; Wu, Hung-Cheng; Chandrasekhar, Kakala-Devi; Wei, Tien-Yu; Chen, Ta-Ye; Berger, Helmuth

    Polycrystalline (Cu1-xZnx)2 OSeO3 (0 <= x <= 0.2) samples were characterized by X-ray diffraction. The effect of Zn doping upon saturation magnetization (MS) indicates that the Zn favors to occupying Cu(II) square pyramid crystallographic site. The Zn doping concentration is found to greatly affect the M- T and χ'ac - T. The skyrmion phase has been inferred from the χ'ac -H data, and then indicated within the H- T phase diagrams for various Zn doping concentrations. The striking and unexpected observation is that the skyrmion phase region becomes split upon Zn doping concentration. Interestingly, second conical boundary accompanied by second skyrmion phase was also observed from d χ'ac /dH vs. H curves. Atomic site disorder created by the chemical doping modulates the delicate magnetic interactions via changes in the Dzyaloshinskii-Moriya (DM) vector of distorted Cu(II) square pyramid, thereby splitting of skyrmion phase might occurred. These findings illustrate the potential of using chemical and atomic modification for tuning the temperature and field dependence of skyrmion phase of Cu2OSeO3.

  15. Unexpected observation of splitting of skyrmion phase in Zn doped Cu2OSeO3.

    PubMed

    Wu, H C; Wei, T Y; Chandrasekhar, K D; Chen, T Y; Berger, H; Yang, H D

    2015-01-01

    Polycrystalline (Cu1-xZnx)2OSeO3 (0≤x≤0.2) samples were synthesized using solid-state reaction and characterized by X-ray diffraction (XRD). The effect of Zn doping upon saturation magnetization (MS) indicates that the Zn favors to occupying Cu(II) square pyramidal crystallographic site. The AC susceptibility (χ'ac) was measured at various temperatures (χ'ac-T) and magnetic field strengths (χ'ac-H). The Zn doping concentration is found to affect greatly the M-T and χ'ac-T. The skyrmion phase has been inferred from the χ'ac-H data, and then indicated within the H-T phase diagrams for various Zn doping concentrations. The striking and unexpected observation is that the skyrmion phase region becomes split upon Zn doping concentration. Interestingly, second conical boundary accompanied by second skyrmion phase was also observed from dχ'ac/dH vs. H curves. Atomic site disorder created by the chemical doping modulates the delicate magnetic interactions via change in the Dzyaloshinskii-Moriya (DM) vector of distorted Cu(II) square pyramidal, thereby splitting of skyrmion phase might occur. These findings illustrate the potential of using chemical and atomic modification for tuning the temperature and field dependence of skyrmion phase of Cu2OSeO3. PMID:26350508

  16. Unexpected observation of splitting of skyrmion phase in Zn doped Cu2OSeO3

    NASA Astrophysics Data System (ADS)

    Wu, H. C.; Wei, T. Y.; Chandrasekhar, K. D.; Chen, T. Y.; Berger, H.; Yang, H. D.

    2015-09-01

    Polycrystalline (Cu1-xZnx)2OSeO3 (0 ≤ x ≤ 0.2) samples were synthesized using solid-state reaction and characterized by X-ray diffraction (XRD). The effect of Zn doping upon saturation magnetization (MS) indicates that the Zn favors to occupying Cu(II) square pyramidal crystallographic site. The AC susceptibility (χ‧ac) was measured at various temperatures (χ‧ac-T) and magnetic field strengths (χ‧ac-H). The Zn doping concentration is found to affect greatly the M-T and χ‧ac-T. The skyrmion phase has been inferred from the χ‧ac-H data, and then indicated within the H-T phase diagrams for various Zn doping concentrations. The striking and unexpected observation is that the skyrmion phase region becomes split upon Zn doping concentration. Interestingly, second conical boundary accompanied by second skyrmion phase was also observed from dχ‧ac/dH vs. H curves. Atomic site disorder created by the chemical doping modulates the delicate magnetic interactions via change in the Dzyaloshinskii-Moriya (DM) vector of distorted Cu(II) square pyramidal, thereby splitting of skyrmion phase might occur. These findings illustrate the potential of using chemical and atomic modification for tuning the temperature and field dependence of skyrmion phase of Cu2OSeO3.

  17. Phase segregation of superconductivity and ferromagnetism at the LaAlO3/SrTiO3 interface.

    PubMed

    Mohanta, N; Taraphder, A

    2014-01-15

    The highly conductive two-dimensional electron gas formed at the interface between insulating SrTiO3 and LaAlO3 shows low-temperature superconductivity coexisting with inhomogeneous ferromagnetism. The Rashba spin-orbit interaction with the in-plane Zeeman field of the system favors p(x) ± ip(y)-wave superconductivity at finite momentum. Owing to the intrinsic disorder at the interface, the role of spatial inhomogeneity in the superconducting and ferromagnetic states becomes important. We find that, for strong disorder, the system breaks up into mutually excluded regions of superconductivity and ferromagnetism. This inhomogeneity-driven electronic phase separation accounts for the unusual coexistence of superconductivity and ferromagnetism observed at the interface.

  18. Transparent and flexible capacitors based on nanolaminate Al2O3/TiO2/Al2O3

    NASA Astrophysics Data System (ADS)

    Zhang, Guozhen; Wu, Hao; Chen, Chao; Wang, Ti; Yue, Jin; Liu, Chang

    2015-02-01

    Transparent and flexible capacitors based on nanolaminate Al2O3/TiO2/Al2O3 dielectrics have been fabricated on indium tin oxide-coated polyethylene naphthalate substrates by atomic layer deposition. A capacitance density of 7.8 fF/μm2 at 10 KHz was obtained, corresponding to a dielectric constant of 26.3. Moreover, a low leakage current density of 3.9 × 10-8 A/cm2 at 1 V has been realized. Bending test shows that the capacitors have better performances in concave conditions than in convex conditions. The capacitors exhibit an average optical transmittance of about 70% in visible range and thus open the door for applications in transparent and flexible integrated circuits.

  19. Piezoelectric Enhancement of (PbTiO3)m/(BaTiO3)n Ferroelectric Superlattices through Domain Engineering

    SciTech Connect

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

    2014-11-20

    The phase diagram of (PbTiO3)m/(BaTiO3)n ferroelectric superlattices was computed using the phase-field approach as a function of layer volume fraction and biaxial strain to tune ferroelectric properties through domain engineering. Two interesting domain structures are found: one with mixed Bloch-Néel-Ising domain wall structures and the other with stabilized monoclinic phases. The polarization of the monoclinic phase is able to rotate from out-of-plane to in-plane or vice versa under an electric field, and thus facilitates the domain reversal of rhombohedral domains. This contributes significantly to both reduced coercive fields and enhanced piezoelectric responses.

  20. ESR and magnetization studies of Fe2O3-Bi2O3-ZnO-PbO glass system

    NASA Astrophysics Data System (ADS)

    Pelluri, Sandhya Rani; Singh, Rajender

    2016-11-01

    The electron spin resonance (ESR) and magnetization measurements were undertaken to understand the magnetic phenomena in the glass system with composition (Fe2O3)x (70 Bi2O3 20 ZnO 10 PbO)1-x (x=15, 20 and 25 mol%). At high temperature the ESR spectra consists of narrow resonance at g~2. As the temperature decreases a second resonance peak emerges and with further decrease in temperature, the second resonance peak progressively shifts towards lower field value. The ESR data shows the formation of superparamagnetic clusters. The temperature dependent magnetization data exhibits a spin glass-like transition and a superparamagnetic blocking at a temperature which increases with increase in x value.

  1. Gate dependence of upper critical field in superconducting (110) LaAlO3/SrTiO3 interface.

    PubMed

    Shen, S C; Chen, B B; Xue, H X; Cao, G; Li, C J; Wang, X X; Hong, Y P; Guo, G P; Dou, R F; Xiong, C M; He, L; Nie, J C

    2016-01-01

    The fundamental parameters of the superconducting state such as coherence length and pairing strength are essential for understanding the nature of superconductivity. These parameters can be estimated by measuring critical parameters such as upper critical field, Hc2. In this work, Hc2 of a superconducting (110) LaAlO3/SrTiO3 interface is determined through magnetoresistive measurements as a function of the gate voltage, VG. When VG increases, the critical temperature has a dome-like shape, while Hc2 monotonically decreases. This relationship of independence between the variation of Tc and of Hc2 suggests that the Cooper pairing potential is stronger in the underdoped region and the coherence length increases with the increase of VG. The result is as for high temperature superconducting cuprates and it is different than for conventional low temperature superconductors. PMID:27378271

  2. Evidence for charge-vortex duality at the LaAlO3/SrTiO3 interface.

    PubMed

    Mehta, M M; Dikin, D A; Bark, C W; Ryu, S; Folkman, C M; Eom, C B; Chandrasekhar, V

    2012-07-17

    The concept of duality has proved extremely powerful in extending our understanding in many areas of physics. Charge-vortex duality has been proposed as a model to understand the superconductor to insulator transition in disordered thin films and Josephson junction arrays. In this model, on the superconducting side, one has delocalized Cooper pairs but localized vortices; while on the insulating side, one has localized Cooper pairs but mobile vortices. Here we show a new experimental manifestation of this duality in the electron gas that forms at the interface between LaAlO(3) and SrTiO(3). The effect is due to the motion of vortices generated by the magnetization dynamics of the ferromagnet that also forms at the same interface, which results in an increase in resistance on the superconducting side of the transition, but an increase in conductance on the insulating side.

  3. Nanoscale lithography of LaAlO3/SrTiO3 wires using silicon stencil masks

    NASA Astrophysics Data System (ADS)

    Azimi, S.; Song, J.; Li, C. J.; Mathew, S.; Breese, M. B. H.; Venkatesan, T.

    2014-11-01

    We have developed a process to fabricate low-stress, fully crystalline silicon nanostencils, based on ion irradiation and the electrochemical anodization of p-type silicon. These nanostencils can be patterned with arbitrary feature shapes with openings hundreds of micrometers wide connected to long channels of less than 100 nm in width. These nanostencils have been used to deposit (2.5 μm- to 150 nm-wide) lines of LaAlO3 (LAO) on a SrTiO3 (STO) substrate, forming a confined electron layer at the interface arising from oxygen vacancies on the STO surface. Electrical characterization of the transport properties of the resulting LAO/STO nanowires exhibited a large electric field effect through back-gating using the STO as the dielectric, demonstrating electron confinement. Stencil lithography incorporating multiple feature sizes in a single mask shows great potential for future development of oxide electronics.

  4. Gate dependence of upper critical field in superconducting (110) LaAlO3/SrTiO3 interface

    PubMed Central

    Shen, S. C.; Chen, B. B.; Xue, H. X.; Cao, G.; Li, C. J.; Wang, X. X.; Hong, Y. P.; Guo, G. P.; Dou, R. F.; Xiong, C. M.; He, L.; Nie, J. C.

    2016-01-01

    The fundamental parameters of the superconducting state such as coherence length and pairing strength are essential for understanding the nature of superconductivity. These parameters can be estimated by measuring critical parameters such as upper critical field, Hc2. In this work, Hc2 of a superconducting (110) LaAlO3/SrTiO3 interface is determined through magnetoresistive measurements as a function of the gate voltage, VG. When VG increases, the critical temperature has a dome-like shape, while Hc2 monotonically decreases. This relationship of independence between the variation of Tc and of Hc2 suggests that the Cooper pairing potential is stronger in the underdoped region and the coherence length increases with the increase of VG. The result is as for high temperature superconducting cuprates and it is different than for conventional low temperature superconductors. PMID:27378271

  5. Role of O defects at the BiMnO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Jilili, J.; Cossu, F.; Schwingenschlögl, U.

    2016-08-01

    We use first principles calculations to study ideal and O deficient BiMnO3/SrTiO3 superlattices. The ideal superlattice is characterized by parallel alignment of the Mn and Ti magnetic moments at the n-interface, while an antiparallel alignment has been reported experimentally. O defects at the n-interface are found to favor the MnO2 and BiO layers over the TiO2 layer. The band gap of the superlattice is strongly reduced when the MnO2 layer is O deficient and {d}3{z2-{r}2} states are observed at the Fermi energy when the BiO layer is O deficient. Only in the latter case the Mn and Ti magnetic moments at the n-interface align antiparallel. Therefore, O defects in the BiO layer turn out to be essential for reproducing the experimental interface magnetism and for understanding its mechanism.

  6. Pressure effects on model ferroelectric BiFeO3-PbTiO3 : Multiple phase transitions

    NASA Astrophysics Data System (ADS)

    Basu, Abhisek; Jana, Rajesh; Ranjan, Rajeev; Mukherjee, Goutam Dev

    2016-06-01

    Pressure-dependent powder x-ray diffraction, Raman spectroscopy, and dielectric constant measurements are performed on 0.65 BiFeO3-0.35 PbTiO3. Four structural transitions are reported in 0-34 GPa range. The transitions are observed at 0.7(1), 0.8(1), 3.4(1), and 6.1(1) GPa, where the system transformed from ambient tetragonal P 4 m m to a mixed phase of tetragonal and rhombohedral (P 4 m m +R 3 c ), followed by transition to rhombohedral R 3 c , cubic Pm3 m and again to rhombohedral R 3 c structure, respectively. The transformation to the cubic structure coincides with the ferroelectric-paraelectric transition. Higher-pressure cubic-to-rhombohedral transition shows a slight softening of Raman modes along with an enhancement in spontaneous strain. The high-pressure rhombohedral phase shows signatures of another ferroic transition.

  7. Characterization of atomic force microscopy written conducting nanowires at LaAlO3/SrTiO3 interfaces

    NASA Astrophysics Data System (ADS)

    Boselli, M.; Li, D.; Liu, W.; Fête, A.; Gariglio, S.; Triscone, J.-M.

    2016-02-01

    The realization of conducting nanostructures at the interface between LaAlO3 and SrTiO3 is an important step towards the realization of devices and the investigation of exotic physical regimes. We present here a detailed study of the conducting nanowires realized using the atomic force microscopy writing technique. By comparing experiments with numerical simulations, we show that these wires reproduce the ideal case of nanoconducting channels defined in an insulating background very well and that the tip bias is a powerful knob to modulate the size of these structures. We also discuss the role of the air humidity that is found to be a crucial parameter to set the size of the tip-sample effective interaction area.

  8. Surface potential distribution of a LaAlO3 film on mixed termination SrTiO3

    NASA Astrophysics Data System (ADS)

    Jang, Yun Hyeong; Cho, Jin Hyung

    2016-09-01

    Scanning probe microscope (SPM) is used to investigate the morphology and the electric properties of the surface, as well as the interface, of LaAlO3/SrTiO3 (LAO/STO) films. To establish the physical properties of the heteroepitaxial oxide interface, we characterized single- and mixed-termination of the STO substrates by using nanoscopic measurements of the electric and the structural properties, as well as the LAO film grown on the mixed-terminated STO substrates. In the case of the LAO film grown on the low-miscut STO substrate, the surface potential only showed a difference at the step edge while the LAO film on the high-miscut STO substrate showed a considerable change in the surface potential distribution at the region in which step bunching has occurred. In the poling experiment, a significant rise in the surface potential difference is observed after writing of the DC bias.

  9. Transparent and flexible capacitors based on nanolaminate Al2O3/TiO2/Al2O3.

    PubMed

    Zhang, Guozhen; Wu, Hao; Chen, Chao; Wang, Ti; Yue, Jin; Liu, Chang

    2015-01-01

    Transparent and flexible capacitors based on nanolaminate Al2O3/TiO2/Al2O3 dielectrics have been fabricated on indium tin oxide-coated polyethylene naphthalate substrates by atomic layer deposition. A capacitance density of 7.8 fF/μm(2) at 10 KHz was obtained, corresponding to a dielectric constant of 26.3. Moreover, a low leakage current density of 3.9 × 10(-8) A/cm(2) at 1 V has been realized. Bending test shows that the capacitors have better performances in concave conditions than in convex conditions. The capacitors exhibit an average optical transmittance of about 70% in visible range and thus open the door for applications in transparent and flexible integrated circuits.

  10. Conductance Change Induced by the Rashba Effect in the LaAlO3/SrTiO3 Interface.

    PubMed

    Kim, Taeyueb; Kim, Shin-Ik; Baek, Seung-Hyub; Hong, Jinki; Koo, Hyun Cheol

    2015-11-01

    The LaAlO3/SrTiO3 (LAO/STO) heterostructure has an inherent space inversion asymmetry causing an internal electric field near the interface. The Rashba spin-orbit coupling arising from this structural characteristic has a considerable influence on spin transport. With application of an external magnetic field, we observed conductance change in the LAO/STO interface which depends on the sign and magnitude of the field. Our systematic study revealed that these results come from spin dependent transport, by which we obtained quantitative strength of the Rashba effect. The Rashba strength in this system depends on the temperature: it varies from 2.6 x 10(-12) eVm to negligible value in the temperature range of 1.8 K-12 K. This method for detecting Rashba effect covers a wider temperature range in comparison with those obtained from Shubnikov-de Haas oscillation or weak antilocalization measurements. PMID:26726565

  11. Engineering SrTiO3 /LaAlO3 heterostructures thicknessthrough a metallic capping layer electrodes

    NASA Astrophysics Data System (ADS)

    Iori, Federico

    The possibility to achieve conducting and superconducting properties at the interface between two bulk insulator oxides as SrTiO3 (STO) and LaAlO3 (LAO) in 2004 has wide opened the route toward the discovery and control of broad functional emerging properties in different oxides heterostructures. Nonetheless the STO/LAO system still present not clarified questions concerning the possibility to control the presence of the 2DEG at the interface. In this work we present our theoretical results supported by experimental measurementsconcerning the possibility to tune the critical thickness of the LAO topmost layer through the deposition of a metallic capping layer at the surface. Our ab initio Density Functional Theory calculations show how different metallic contact can lead to a reduction of the LAO critical thickness of 4 u.c. still preserving the 2D electronic gas at the interface. UNRAVEL Marie Curie project.

  12. Dielectric Properties of Ca2CuO3-CaCu2O3-CuO Composite Ceramics

    NASA Astrophysics Data System (ADS)

    Li, Qing-Shou; Zhang, Yun-Qiang; Li, Li-Ben; Zang, Guo-Zhong

    2013-03-01

    The Ca2CuO3-CaCu2O3-CuO ceramics were synthesized by traditional solid-state sintering method. The complex dielectric response of the samples measured from 102-106 Hz and from 300-500 K reveals very high real part of ɛ > 104. The activation energy (being about 0.63 eV) calculated by the Arrhenius equation indicates that the oxygen vacancies may contribute to the high dielectric response. And the fitting to a Schottky barrier model of capacitance versus applied voltage suggests that the existence of Schottky barrier at the grain boundaries may be another important reason for the origination of good dielectric properties.

  13. Structural and magnetic properties of CoTiO3 thin films on SrTiO3 (001)

    NASA Astrophysics Data System (ADS)

    Schoofs, Frank; Egilmez, Mehmet; Fix, Thomas; MacManus-Driscoll, Judith L.; Blamire, Mark G.

    2013-04-01

    CoTiO3 (CTO) thin films were grown on single crystal SrTiO3 (STO) (001) substrates by pulsed laser deposition, with thicknesses ranging between 2.6 and 25 nm. Two-dimensional growth is observed up to a thickness of 2 unit cells, but then the film partially relaxes with CTO [100] oriented parallel to STO [110] and CTO [001] oriented parallel to the STO [001]. Magnetic characterization of our films revealed an enhancement of the antiferromagnetic Néel temperature (to ˜53 K) when compared to the bulk (38 K). This is attributed to a tensile c-axis strain as evidenced from x-ray diffraction measurements.

  14. Correlated non-Gaussian phase fluctuations in LaAlO3/SrTiO3 heterointerfaces

    NASA Astrophysics Data System (ADS)

    Daptary, Gopi Nath; Kumar, Shelender; Kumar, Pramod; Dogra, Anjana; Mohanta, N.; Taraphder, A.; Bid, Aveek

    2016-08-01

    We probe the existence of large correlated non-Gaussian phase fluctuations in the vicinity of the superconducting phase transition in the conducting layer residing at the interface of LaAlO3/SrTiO3 heterostructures. The non-Gaussian fluctuations appear between the Berezinskii-Kosterlitz-Thouless transition temperature TB K T and the mean-field transition temperature TC. Subsequent theoretical analysis reveals that non-Gaussianity arises predominantly due to the percolative transition of a Josephson coupled network of superconductors. Our results confirm that the superconductivity in this system is confined to two dimensions. Our study of the non-Gaussian resistance fluctuation spectrum provides a novel means to explore the BKT transition in two-dimensional inhomogeneous superconductors.

  15. Gate dependence of upper critical field in superconducting (110) LaAlO3/SrTiO3 interface

    NASA Astrophysics Data System (ADS)

    Shen, S. C.; Chen, B. B.; Xue, H. X.; Cao, G.; Li, C. J.; Wang, X. X.; Hong, Y. P.; Guo, G. P.; Dou, R. F.; Xiong, C. M.; He, L.; Nie, J. C.

    2016-07-01

    The fundamental parameters of the superconducting state such as coherence length and pairing strength are essential for understanding the nature of superconductivity. These parameters can be estimated by measuring critical parameters such as upper critical field, Hc2. In this work, Hc2 of a superconducting (110) LaAlO3/SrTiO3 interface is determined through magnetoresistive measurements as a function of the gate voltage, VG. When VG increases, the critical temperature has a dome-like shape, while Hc2 monotonically decreases. This relationship of independence between the variation of Tc and of Hc2 suggests that the Cooper pairing potential is stronger in the underdoped region and the coherence length increases with the increase of VG. The result is as for high temperature superconducting cuprates and it is different than for conventional low temperature superconductors.

  16. Preparation and Characterization of BaTiO3-PbZrTiO3 Coating for Pyroelectric Energy Harvesting

    NASA Astrophysics Data System (ADS)

    Raghavendra, R. M.; Praneeth, K. P. S. S.; Dutta, Soma

    2016-08-01

    Harvesting energy from waste heat is a promising field of research as there are significant energy recovery opportunities from various waste thermal energy sources. The present study reports pyroelectric energy harvesting using thick film prepared from a (x)BaTiO3-(1 - x)PbZr0.52Ti0.48O3 (BT-PZT) solid solution. The developed BT-PZT system is engineered to tune the ferro to paraelectric phase transition temperature of it in-between the phase transition temperature of BaTiO3 (393 K) and PbZrTiO3 (573 K) with higher pyroelectric figure-of-merit (FOM). The temperature-dependent dielectric behavior of the material has revealed the ferro- to paraelectric phase transition at 427 K with a maximum dielectric constant of 755. The room-temperature (298 K) pyroelectric coefficient (Pi) of the material was obtained as 738.63 μC/m2K which has yielded a significantly high FOM of 1745.8 J m-3 K-2. The enhancement in pyroelectric property is attributed to the morphotopic phase transition between tetragonal and rhombohedral PZT phases in the BT-PZT system. The developed BT-PZT system is capable of generating a power output of 1.3 mW/m2 near the Curie temperature with a constant rate (0.11 K/s) of heating. A signal conditioning circuit has been developed to rectify the time-varying current and voltage signals obtained from the harvester during heating cycles. The output voltage generated by the pyroelectric harvester has been stored in a capacitor for powering wearable electronics.

  17. On the Mechanisms of Solution of Al2O3 in MgSiO3 Perovskite at Lower Mantle Pressures and Temperatures

    NASA Astrophysics Data System (ADS)

    Akber-Knutson, S.; Bukowinski, M. S.

    2002-12-01

    Experiments and calculations suggest that MgSiO3 perovskite, believed to be the most abundant mineral in the Earth's lower mantle, absorbs some amount of aluminum, via substitution into the Mg and/or Si sites. The substitution mechanism can significantly affect the properties of perovskite, so knowledge of which ones can actually take place can increase our understanding of the composition and evolution of the earth. We consider two substitution mechanisms of Al into MgSiO3 perovskite: 1) the charge coupled mechanism in which Al enters the Mg and Si sites equally and 2) the oxygen vacancy forming substitution mechanism, in which Al enters only the Si sites and charge balance is maintained with oxygen vacancies. Previous theoretical studies, based on 0 Kelvin, static computations on MgSiO3 perovskite with an Al cation concentration of 25%, treat the two substitution mechanisms as mutually exclusive and suggest that Al is incorporated into the lattice via oxygen vacancy formation at low pressures and via charge coupled substitution at higher pressures (Brodholt 2000). However, at equilibrium the solution of Al into perovskite is a thermodynamic process, in which it is possible for the two substitution mechanisms to coexist. We considered two separate reactions for the formation of the two types of aluminous perovskite. Using lattice dynamics with various parametrized pair potentials, that give reasonable equations of state for a large class of minerals, we examine the effects of temperature (0-2000 K), pressure (25-125 GPa), and Al concentration (3.125-12.5%) on these reactions. Regardless of the substitution mechanism, at T=300 K and P=0 GPa, and for an Al cation concentration of 6.25%, the predicted volume is slightly larger (by less than 1%) and the bulk modulus is smaller (by 4 and 7%, for charged coupled and oxygen vacancy forming substitutions, respectively), consistent with the results of Zhang and Weidner (1999) and Daniel et al. (2001). An examination of the

  18. Enhanced High Temperature Piezoelectrics Based on BiScO3-PbTiO3 Ceramics

    NASA Technical Reports Server (NTRS)

    Sehirlioglu, Alp; Sayir, Ali; Dynys, Fred

    2009-01-01

    High-temperature piezoelectrics are a key technology for aeronautics and aerospace applications such as fuel modulation to increase the engine efficiency and decrease emissions. The principal challenge for the insertion of piezoelectric materials is the limitation on upper use temperature which is due to low Curie-Temperature (TC) and increasing electrical conductivity. BiScO3-PbTiO3 (BS-PT) system is a promising candidate for improving the operating temperature for piezoelectric actuators due to its high TC (greater than 400 C). Bi2O3 was shown to be a good sintering aid for liquid phase sintering resulting in reduced grain size and increased resistivity. Zr doped and liquid phase sintered BS-PT ceramics exhibited saturated and square hysteresis loops with enhanced remenant polarization (37 microC per square centimeter) and coercive field (14 kV/cm). BS-PT doped with Mn showed enhanced field induced strain (0.27% at 50kV/cm). All the numbers indicated in parenthesis were collected at 100 C.

  19. Interface Magnetization in Digitally Layered (LaMnO3)2n /(SrMnO3)n Superlattices

    NASA Astrophysics Data System (ADS)

    Kavich, J. J.; Bhattacharya, A.; Freeland, J. W.; Eckstein, J. N.

    2007-03-01

    Interfaces in solids have been an enduring theme in materials physics due to the exciting new physics that can emerge in interface regions arising from a variety of competing interactions. Because of this, multilayer materials can provide a novel means to separate disorder physics from other competing interactions. The samples used in this experiment were grown using ozone-assisted atomic layer by layer molecular beam epitaxy (ALL-MBE) on (100) oriented SrTiO3. Using X-ray Resonant Magnetic Scattering, we present a comparison of the magnetic properties at interfaces of a series of (LaMnO3)2n /(SrMnO3)n superlattices as a function of n ranging from 1 to 5 unit cells. Combined with transport measurements, the magnetic properties appear to be correlated with a change in the electronic properties of the superlattice. Work at Argonne is supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357.

  20. Interface-driven topological Hall effect in SrRuO3-SrIrO3 bilayer.

    PubMed

    Matsuno, Jobu; Ogawa, Naoki; Yasuda, Kenji; Kagawa, Fumitaka; Koshibae, Wataru; Nagaosa, Naoto; Tokura, Yoshinori; Kawasaki, Masashi

    2016-07-01

    Electron transport coupled with magnetism has attracted attention over the years. Among them, recently discovered is topological Hall effect (THE), originating from scalar spin chirality, that is, the solid angle subtended by the spins. THE is found to be a promising tool for probing the Dzyaloshinskii-Moriya (DM) interaction and consequent magnetic skyrmions. This interaction arises from broken inversion symmetry and hence can be artificially introduced at interface; this concept is lately verified in metal multilayers. However, there are few attempts to investigate such DM interaction at interface through electron transport. We clarified how the transport properties couple with interface DM interaction by fabricating the epitaxial oxide interface. We observed THE in epitaxial bilayers consisting of ferromagnetic SrRuO3 and paramagnetic SrIrO3 over a wide region of both temperature and magnetic field. The magnitude of THE rapidly decreases with the thickness of SrRuO3, suggesting that the interface DM interaction plays a significant role. Such interaction is expected to realize a 10-nm-sized Néel-type magnetic skyrmion. The present results established that the high-quality oxide interface enables us to tune the effective DM interaction; this can be a step toward future topological electronics. PMID:27419236

  1. Spectroscopic studies of In2O3 nanostructures; photovoltaic demonstration of In2O3/p-Si heterojunction.

    PubMed

    Bhat, Thirumaleshwara N; Roul, Basanta; Rajpalke, Mohana K; Kumar, Mahesh; Krupanidhi, S B

    2013-01-01

    The thermal oxidation process of the indium nitride (InN) nanorods (NRs) was studied. The SEM studies reveal that the cracked and burst mechanism for the formation of indium oxide (In2O3) nanostructures by oxidizing the InN NRs at higher temperatures. XRD results confirm the bcc crystal structure of the as prepared In2O3 nanostructures. Strong and broad photoluminescence spectrum located at the green to red region with maximum intensity at 566 nm along with a weak ultraviolet emission at 338 nm were observed due to oxygen vacancy levels and free excitonic transitions, respectively. The valence band onset energy of 2.1 eV was observed from the XPS valence band spectrum, clearly justifies the alignment of Fermi level to the donor level created due to the presence of oxygen vacancies which were observed in the PL spectrum. The elemental ratio In:O in as prepared In2O3 was found to be 42:58 which is in close agreement with the stoichiometric value of 40:60. A downward shift was observed in the Raman peak positions due to a possible phonon confinement effect in the nanoparticles formed in bursting mechanism. Such single junction devices exhibit promising photovoltaic performance with fill factor and conversion efficiency of 21% and 0.2%, respectively, under concentrated AM1.5 illumination.

  2. Thermal stability of 2DEG at amorphous LaAlO3/crystalline SrTiO3 heterointerfaces

    NASA Astrophysics Data System (ADS)

    Moon, Seon Young; Moon, Cheon Woo; Chang, Hye Jung; Kim, Taemin; Kang, Chong-Yun; Choi, Heon-Jin; Kim, Jin-Sang; Baek, Seung-Hyub; Jang, Ho Won

    2016-04-01

    At present, the generation of heterostructures with two dimensional electron gas (2DEG) in amorphous LaAlO3 (a-LAO)/SrTiO3 (STO) has been achieved. Herein, we analysed thermal stability of 2DEG at a-LAO/STO interfaces in comparison with 2DEG at crystalline LaAlO3 (c-LAO)/STO interfaces. To create 2DEG at LAO/STO interface, regardless of growing temperature from 25 to 700 °C, we found that environment with oxygen deficient during the deposition of LAO overlayer is essentially required. That indicates that the oxygen-poor condition in the system is more essential than the crystalline nature of LAO layer. 2DEG at a-LAO/STO interface is depleted upon ex situ annealing at 300 °C under 300 Torr of oxygen pressure, while that in c-LAO/STO interface is still maintained. Our result suggests that the LAO overlayer crystallinity critically affects the thermal-annealing-induced depletion of 2DEG at a-LAO/STO interface rather than the generation of 2DEG. We clearly provide that amorphous TiOx can efficiently prevent the thermal degradation of 2DEG at the a-LAO/STO interface, which gives a cornerstone for achieving thermal-stable 2DEG at a-LAO/STO interface.

  3. Interface-driven topological Hall effect in SrRuO3-SrIrO3 bilayer

    PubMed Central

    Matsuno, Jobu; Ogawa, Naoki; Yasuda, Kenji; Kagawa, Fumitaka; Koshibae, Wataru; Nagaosa, Naoto; Tokura, Yoshinori; Kawasaki, Masashi

    2016-01-01

    Electron transport coupled with magnetism has attracted attention over the years. Among them, recently discovered is topological Hall effect (THE), originating from scalar spin chirality, that is, the solid angle subtended by the spins. THE is found to be a promising tool for probing the Dzyaloshinskii-Moriya (DM) interaction and consequent magnetic skyrmions. This interaction arises from broken inversion symmetry and hence can be artificially introduced at interface; this concept is lately verified in metal multilayers. However, there are few attempts to investigate such DM interaction at interface through electron transport. We clarified how the transport properties couple with interface DM interaction by fabricating the epitaxial oxide interface. We observed THE in epitaxial bilayers consisting of ferromagnetic SrRuO3 and paramagnetic SrIrO3 over a wide region of both temperature and magnetic field. The magnitude of THE rapidly decreases with the thickness of SrRuO3, suggesting that the interface DM interaction plays a significant role. Such interaction is expected to realize a 10-nm-sized Néel-type magnetic skyrmion. The present results established that the high-quality oxide interface enables us to tune the effective DM interaction; this can be a step toward future topological electronics. PMID:27419236

  4. Preparation of BaTiO3/Cu2O and BaTiO3/Cu2O/Au Complexes: Their Photocatalytic and Antipathogenic Effect.

    PubMed

    Cho, Sung-Woo; Nam, Dae-Hyun; Kim, Lee-Han; Jung, Dongwoon

    2016-05-01

    BaTiO3/Cu2O and BaTiO3/Cu2O/Au complexes were prepared from CuCl2, HAuCl4 solution, and BaTiO3 by the solution method. BaTiO3 particles were dispersed in a CuCl2 solution, and the BaTiO3/CuO complex was produced through crystallization of CuO onto the BaTiO3 surface by hydrolysis of CuCl2 in the first stage. After the reaction, CuO was reduced to Cu2O by treatment with glucose, thereby yielding the BaTiO3/Cu2O complex. The BaTiO3/Cu2O/Au complex was prepared by treating the BaTiO3/Cu2O particles with HAuCl4. Under visible light, the obtained BaTiO3/Cu2O0/Au complex showed higher photocatalytic activity than the Degussa P-25sample. In addition, the BaTiO3/Cu2O complex showed excellent antipathogenic effect. PMID:27483887

  5. Thermodynamics and Structure of CaO-Al2O3-3 Mass Pct B2O3 Slag at 1773 K (1500 °C)

    NASA Astrophysics Data System (ADS)

    Shu, Qifeng; Li, Pengfei; Zhang, Xiang; Chou, Kuochih

    2016-08-01

    Activity values of Al2O3 in CaO-Al2O3-B2O3 systems at 1773 K (1500 °C) were determined experimentally using a gas-copper-slag equilibrium technique. The oxygen partial pressure was controlled by C/CO equilibrium. A negative deviation from ideality was found in measured activity of Al2O3. The activity coefficient of Al2O3 decreases with the increase of CaO/Al2O3 ratio. To interpret the variation of Al2O3 activity with composition, structures of CaO-Al2O3-B2O3 glassy slag were investigated by using Raman spectroscopy. It was found that the number of bridging oxygen decreases with increasing CaO/Al2O3 ratio. With increase of CaO content, the aluminate network was gradually depolymerized, which corresponds to the decrease of the activity coefficient of Al2O3.

  6. 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.

  7. X-ray diffraction study on precipitate of Er:LiNbO3 induced by vapor transport equilibration

    NASA Astrophysics Data System (ADS)

    Zhang, D.; Lan, G.; Chen, X.; Zhu, D.

    An X-ray powder diffraction study was performed on vapor transport equilibration (VTE) treated Er:LiNbO3 crystals with different doping levels (0.2, 0.4 and 2.0% Er per cation site), different cut orientations (X- and Z-cuts) and different VTE durations (120, 150 and 180 h). Their diffraction characteristics were compared with those of pure congruent LiNbO3 and as-grown Er:LiNbO3. The most significant characteristic is the appearance of additional weak and broad peaks around the 2θ angles 30° and 59° in the diffraction patterns of both X- and Z-cut 2.0 mol% doped VTE crystals, confirming that they precipitated. A further comparison of their diffraction data with the powder diffraction files indicated that the new phase in these precipitated crystals is ErNbO4, which has an approximate concentration of 1.0%, 1.065%, 1.485% for 120, 150 and 180 h crystals, respectively. The crystalline grain sizes of the new phase are 132.2 184.1Å. The unit cell parameters of the as-grown and VTE crystals were also determined from diffraction data; the variation from pure LiNbO3 to as-grown Er:LiNbO3 was qualitatively explained according to the crystal structure of LiNbO3 and using the concept of ionic radius. VTE brings the crystal closer to a stoichiometric composition, thus causing the contraction of the lattice constants. Finally, a tentatively qualitative explanation for precipitate formation is given on the basis of crystal structure.

  8. Correlation between the acid-base properties of the La2O3 catalyst and its methane reactivity.

    PubMed

    Chu, Changqing; Zhao, Yonghui; Li, Shenggang; Sun, Yuhan

    2016-06-28

    Density functional theory and coupled cluster theory calculations were carried out to study the effects of the acid-base properties of the La2O3 catalyst on its catalytic activity in the oxidative coupling of methane (OCM) reaction. The La(3+)-O(2-) pair site for CH4 activation is considered as a Lewis acid-Brönsted base pair. Using the Lewis acidity and the Brönsted basicity in the fluoride affinity and proton affinity scales as quantitative measures of the acid-base properties, the energy barrier for CH4 activation at the pair site can be linearly correlated with these acid-base properties. The pair site consisting of a strong Lewis acid La(3+) site and a strong Brönsted base O(2-) site is the most reactive for CH4 activation. In addition, the basicity of the La2O3 catalyst was traditionally measured by temperature-programmed desorption of CO2, but the CO2 chemisorption energy is better regarded as a combined measure of the acid-base properties of the pair site. A linear relationship of superior quality was found between the energy barrier for CH4 activation and the CO2 chemisorption energy, and the pair site favorable for CO2 chemisorption is also more reactive for CH4 activation, leading to the conflicting role of the "basicity" of the La2O3 catalyst in the OCM reaction. The necessity for very high reaction temperatures in the OCM reaction is rationalized by the requirement for the recovery of the most reactive acid-base pair site, which unfortunately also reacts most readily with the byproduct CO2 to form the very stable CO3(2-) species.

  9. Nb2O5-γ-Al2O3 nanofibers as heterogeneous catalysts for efficient conversion of glucose to 5-hydroxymethylfurfural

    NASA Astrophysics Data System (ADS)

    Jiao, Huanfeng; Zhao, Xiaoliang; Lv, Chunxiao; Wang, Yijun; Yang, Dongjiang; Li, Zhenhuan; Yao, Xiangdong

    2016-09-01

    One-dimensional γ-Al2O3 nanofibers were modified with Nb2O5 to be used as an efficient heterogeneous catalyst to catalyze biomass into 5-hydroxymethylfurfural (5-HMF). At low Nb2O5 loading, the niobia species were well dispersed on γ-Al2O3 nanofiber through Nb–O–Al bridge bonds. The interaction between Nb2O5 precursor and γ-Al2O3 nanofiber results in the niobia species with strong Lewis acid sites and intensive Brønsted acid sites, which made 5-HMF yield from glucose to reach the maximum 55.9~59.0% over Nb2O5-γ-Al2O3 nanofiber with a loading of 0.5~1 wt% Nb2O5 at 150 °C for 4 h in dimethyl sulfoxide. However, increasing Nb2O5 loading could lead to the formation of two-dimensional polymerized niobia species, three-dimensional polymerized niobia species and crystallization, which significantly influenced the distribution and quantity of the Lewis acid sites and Brönst acid sites over Nb2O5-γ-Al2O3 nanofiber. Lewis acid site Nbδ+ played a key role on the isomerization of glucose to fructose, while Brønsted acid sites are more active for the dehydration of generated fructose to 5-HMF. In addition, the heterogeneous Nb2O5-γ-Al2O3 nanofiber catalyst with suitable ratio of Lewis acid to Brönsted sites should display an more excellent catalytic performance in the conversion of glucose to 5-HMF.

  10. Nb2O5-γ-Al2O3 nanofibers as heterogeneous catalysts for efficient conversion of glucose to 5-hydroxymethylfurfural

    PubMed Central

    Jiao, Huanfeng; Zhao, Xiaoliang; Lv, Chunxiao; Wang, Yijun; Yang, Dongjiang; Li, Zhenhuan; Yao, Xiangdong

    2016-01-01

    One-dimensional γ-Al2O3 nanofibers were modified with Nb2O5 to be used as an efficient heterogeneous catalyst to catalyze biomass into 5-hydroxymethylfurfural (5-HMF). At low Nb2O5 loading, the niobia species were well dispersed on γ-Al2O3 nanofiber through Nb–O–Al bridge bonds. The interaction between Nb2O5 precursor and γ-Al2O3 nanofiber results in the niobia species with strong Lewis acid sites and intensive Brønsted acid sites, which made 5-HMF yield from glucose to reach the maximum 55.9~59.0% over Nb2O5-γ-Al2O3 nanofiber with a loading of 0.5~1 wt% Nb2O5 at 150 °C for 4 h in dimethyl sulfoxide. However, increasing Nb2O5 loading could lead to the formation of two-dimensional polymerized niobia species, three-dimensional polymerized niobia species and crystallization, which significantly influenced the distribution and quantity of the Lewis acid sites and Brönst acid sites over Nb2O5-γ-Al2O3 nanofiber. Lewis acid site Nbδ+ played a key role on the isomerization of glucose to fructose, while Brønsted acid sites are more active for the dehydration of generated fructose to 5-HMF. In addition, the heterogeneous Nb2O5-γ-Al2O3 nanofiber catalyst with suitable ratio of Lewis acid to Brönsted sites should display an more excellent catalytic performance in the conversion of glucose to 5-HMF. PMID:27666867

  11. The impacts of cation stoichiometry and substrate surface quality on nucleation, structure, defect formation, and intermixing in complex oxide heteroepitaxy LaCrO3 on SrTiO3(001)

    SciTech Connect

    Qiao, Liang; Zhang, K. H. L; Bowden, Mark E; Varga, Tamas; Shutthanandan, Vaithiyalingam; Colby, Robert; Du, Yingge; Kabius, Bernd; Sushko, Peter V; Biegalski, Michael D; Chambers, S. A.

    2013-01-01

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition Here we report on the effect of cation stoichiometry on structural quality and defect formation in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We calculate from first principles the regions of stability of various candidate defects as a function of Cr and O chemical potential, along with the predicted effects of these defects on structural parameters. We show that epitaxial LaCrO3 films readily nucleate and remain coherently strained on SrTiO3(001) over a wide range of La-to-Cr atom ratios, but that La-rich films are of considerably lower structural quality than stoichiometric and Cr-rich films. Cation imbalances are accompanied by anti-site defect formation, as deduced by comparing experimental trends in the c lattice parameter with those from first-principles calculations. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition on SrTiO3(001) at ambient temperature. Indiffused La atoms occupy Sr sites, most likely facilitated by Sr vacancy formation in STO resulting from high-temperature oxygen annealing required to prepare the substrate. Intermixing is effectively quenched by using molecular beam epitaxy to deposit LaCrO3 at ambient temperature on defect free Si(001). However, analogous pulsed laser deposition on Si is accompanied by cation mixing.

  12. Current conduction and resistive switching characteristics of Sm2O3 and Lu2O3 thin films for low-power flexible memory applications

    NASA Astrophysics Data System (ADS)

    Mondal, Somnath; Chueh, Ching-Hao; Pan, Tung-Ming

    2014-01-01

    In this article, the current conduction and resistive switching (RS) behavior in flexible Sm2O3 and Lu2O3 resistive random access memories (ReRAM) are investigated. Amorphous Sm2O3 and Lu2O3 thin films were deposited at room temperature by radio-frequency magnetron sputtering on flexible polyethylene terephthalate substrate. The structural morphologies of the Sm2O3 and Lu2O3 thin films strongly depend on the lattice energy of the oxides. The dominant current conduction mechanism in the oxide layer changes from electrode control Schottky emission in Sm2O3 to bulk controlled space-charge-limited-current in Lu2O3. The barrier height extracted from Schottky emission model is 0.96 eV in Sm2O3 thin film, while the activation energy of traps calculated from the Arrhenius plots is about 0.23 eV in Lu2O3 thin film. Additionally, the Ni/Sm2O3/ITO flexible memory device shows promising RS behavior with very low power of operation (˜30 μW) and small distribution of switching parameters. The memory reliability characteristics of switching endurance, data retention, good flexibility, and mechanical endurance show promising for future memory applications. The filament conduction model is adopted to describe the RS behavior in the Sm2O3 and Lu2O3 ReRAM devices. The improved RS performance in Sm2O3 thin film is attributed to the different physical properties of the thin films.

  13. Preparation and visible light induced photocatalytic activity of C-NaTaO3 and C-NaTaO3-Cl-TiO2 composite.

    PubMed

    Wu, Xiaoyong; Yin, Shu; Dong, Qiang; Sato, Tsugio

    2013-12-21

    A nice visible light responsive C-doped NaTaO3 (C-NaTaO3) particle has been successfully prepared by a facile solvothermal method using water-ethylene glycol mixed solutions as solvent. The results presented that the carbon could be easily incorporated in NaTaO3 from ethylene glycol during a solvothermal reaction, finally leading to excellent visible light absorption. The as-synthesized C-NaTaO3 showed excellent visible light induced photocatalytic activity superior to those of pure NaTaO3 and commercial P25. In addition, in order to further improve the visible light driven photocatalytic performance of C-NaTaO3, a new C-doped NaTaO3-Cl-doped TiO2 (C-NaTaO3-Cl-TiO2) core-shell type of composite was also fabricated. After coupling C-NaTaO3 with Cl-TiO2, the visible light induced NOx gas destruction ability of C-NaTaO3-Cl-TiO2 composite was significantly enhanced as compared to those of sole C-NaTaO3 and Cl-TiO2, probably due to the hindrance of the recombination rate of photogenerated electron-hole pairs. The C-NaTaO3 particle and C-NaTaO3-Cl-TiO2 composite prepared in this work would probably provide a new way to prepare high performance of visible light induced perovskite-type NaTaO3 based photocatalysts.

  14. Effect of Fe2O3 concentration on the structure of the SiO2-Na2O-Al2O3-B2O3 glass system.

    PubMed

    Dantas, Noelio O; Ayta, Walter E F; Silva, Anielle C A; Cano, Nilo F; Silva, Sebastião W; Morais, Paulo C

    2011-10-15

    The structural properties of the glass matrix 40SiO(2)·30Na(2)O·1Al(2)O(3)·(29-x)B(2)O(3)·xFe(2)O(3) (mol%), 0.0≤x≤29.0 were studied by X-ray diffraction (XRD), differential thermal analysis (DTA) and Raman and infrared spectroscopy (FT-IR). XRD demonstrated Fe(3)O(4) crystal formation for Fe(2)O(3) concentrations of 29.0 mol%. DTA showed that glass transition and crystallization temperatures changed as a function of Fe(2)O(3) concentration and that these alterations were related to structural change in the glass system. Interesting aspects of Raman and FT-IR spectra were found, and this gives information about of the structure changes in Si-O-Si units of these glasses as a function of Fe(2)O(3) concentration.

  15. Rational design of mixed ionic and electronic conducting perovskite oxides for solid oxide fuel cell anode materials: A case study for doped SrTiO3

    SciTech Connect

    Suthirakun, Suwit; Xiao, Guoliang; Ammal, Salai Cheettu; Chen, Fanglin; zur Loye, Hans-Conrad; Heyden, Andreas

    2014-01-01

    The effect of p- and n-type dopants on ionic and electronic conductivity of SrTiO3 based perovskites were investigated both computationally and experimentally. Specifically, we performed density functional theory (DFT) calculations of Na- and La-doped SrTiO3 and Na- and Nb-doped SrTiO3 systems. Constrained ab initio thermodynamic calculations were used to evaluate the phase stability and reducibility of doped SrTiO3 under both oxidizing and reducing synthesis conditions, as well as under anodic solid oxide fuel cell (SOFC) conditions. The density of states (DOS) of these materials was analyzed to study the effects of p- and n-doping on the electronic conductivity. Furthermore, Na- and La-doped SrTiO3 and Na- and Nb-doped SrTiO3 samples were experimentally prepared and the conductivity was measured to confirm our computational predictions. The experimental observations are in very good agreement with the theoretical predictions that doping n-doped SrTiO3 with small amounts of p-type dopants promotes both the ionic and electronic conductivity of the material. This doping strategy is valid independent of p- and n-doping site and permits the synthesis of perovskite based mixed ionic/electronic conductors.

  16. Heating rate effects in simulated liquid Al2O_3

    NASA Astrophysics Data System (ADS)

    van Hoang, Vo

    2006-01-01

    The heating rate effects in simulated liquid Al{2}O{3} have been investigated by Molecular Dynamics (MD) method. Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions with Born-Mayer type pair potentials. The temperature of the system was increasing linearly in time from the zero temperature as T(t)=T0 +γ t, where γ is the heating rate. The heating rate dependence of density and enthalpy of the system was found. Calculations show that static properties of the system such as the coordination number distributions and bond-angle distributions slightly depend on γ . Structure of simulated amorphous Al{2}O{3} model with the real density at the ambient pressure is in good agreement with Lamparter's experimental data. The heating rate dependence of dynamics of the system has been studied through the diffusion constant, mean-squared atomic displacement and comparison of partial radial distribution functions (PRDFs) for 10% most mobile and immobile particles with the corresponding mean ones. Finally, the evolution of diffusion constant of Al and O particles and structure of the system upon heating for the smallest heating rate was studied and presented. And we find that the temperature dependence of self-diffusion constant in the high temperature region shows a crossover to one which can be described well by a power law, D∝ (T-Tc )^γ . The critical temperature Tc is about 3500 K and the exponent γ is close to 0.941 for Al and to 0.925 for O particles. The glass phase transition temperature Tg for the Al{2}O{3} system is at anywhere around 2000 K.

  17. Modelling dislocation cores in MgSiO3 perovskite

    NASA Astrophysics Data System (ADS)

    Cordier, P.; Carrez, P.; Gouriet, K.; Kraych, A.

    2012-12-01

    MgSiO3 perovskite is the most abundant mineral of the Earth's lower mantle (i.e. between 700 and 2900 km depth) and accounts for half of Earth's mass. At lower mantle pressures (25-135 GPa) MgSiO3 crystallises in a distorted (orthorhombic) perovskite structure (described in the following using the Pbnm space group). In this structure, SiO6 octahedra are tilted with tilt angles increasing with increasing pressure. Since it is very difficult to perform deformation experiments under the extreme P, T conditions of the lower mantle, little is known about plastic deformation of MgSiO3 perovskite and its slip systems are still a matter of debate. To overcome this difficulty, we model dislocation core structures in this mineral taking into account the influence of pressure. In this study, we focus on dislocation core structures of dislocations with [100] and [010] Burgers vectors (which derive from <110> Burgers vectors of the underlying pseudo-cubic structure). Atomistic calculations are performed using pair-wise potentials as implemented in the LAMMPS code. The choice of potentials was initially validated by comparing generalized stacking fault (GSF) energies to similar calculations performed with the density functional theory (DFT). The core structures of screw dislocations are calculated using two independent methods. The first one is based on Peierls-Nabarro-Galerkin simulations involving GSF as an input. Direct calculations have also bee performed using cluster approach. It turns out that screw dislocations with [100] Burgers vector are characterised by a core mostly spread in the (010) plane. The core exhibits two edge-sharing octahedra in a configuration very similar to that modelled in SrTiO3 cubic perovskite. The structure of [010] screw dislocations is more complex with dissociation into two, non-collinear partial dislocations with a significant non-screw component. Both dislocations exhibit high Peierls stresses. This illustrates the effect of orthorhombic

  18. Structural studies on doped MnTiO3

    NASA Astrophysics Data System (ADS)

    Maurya, R. K.; Bindu, R.

    2016-05-01

    We investigate here the temperature evolution of dc susceptibility and x-ray diffraction patterns of MnTi0.8Ru0.2O3. With increase in doping, a broad peak and a sharp peak is observed ~ 75 and 48 K, respectively in the dc susceptibility data. The broad peak corresponds to the 2 dimensional antiferromagnetic structure and the sharp peak to TN. The sharpness of TN suggests stronger 3 dimensional character. This is well depicted in the temperature dependent lattice parameters also. These results provide playground for understanding the role of Ti ions, dimensional cross over on the exotic properties exhibited by them.

  19. Dynamic nonlinearity in epitaxial BaTi O3 films

    NASA Astrophysics Data System (ADS)

    Tyunina, M.; Savinov, M.

    2016-08-01

    Dynamic dielectric and piezoelectric constants of ferroelectrics increase proportionally to the amplitude of alternating electric field as a result of hysteretic Rayleigh-type motion of domain walls. Here a hysteresis-free quadratic field dependence of the dynamic dielectric response is experimentally demonstrated in the absence of domain walls in epitaxial BaTi O3 films. This extraordinary behavior is related to polar entities, whose presence is confirmed by the Vogel-Fulcher relaxation. The polar entities are ascribed to polarization fluctuations associated with lattice inhomogeneity.

  20. Microwave Magnetochiral Effect in Cu2OSeO3

    NASA Astrophysics Data System (ADS)

    Mochizuki, Masahito

    2015-05-01

    We theoretically find that in the multiferroic chiral magnet Cu2OSeO3 resonant magnetic excitations are coupled to the collective oscillation of the electric polarization, and thereby attain simultaneous activity to the ac magnetic field and ac electric field. Because of the interference between these magnetic and electric acti