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Sample records for mgo thin filmsa

  1. Ion-induced grain growth and texturing in refractory thin films-A low temperature process

    SciTech Connect

    Seita, M.; Reiser, A.; Spolenak, R.

    2012-12-17

    Selective grain growth can be promoted in thin films independently of the materials intrinsic properties, such as the melting temperature, by ion-irradiation. This enables the previously impossible evolution of large grain-sized microstructures with controlled crystallographic textures even in refractory metals, such as {alpha}-tantalum. Experimental results from materials with different crystal structure are compared on the basis of a theoretical model, which reveals the differences in ion-induced grain-growth dynamics.

  2. Highly (100) oriented MgO growth on thin Mg layer in MTJ structure

    NASA Astrophysics Data System (ADS)

    Jimbo, K.; Nakagawa, S.

    2011-01-01

    In order to apply Stress Assisted Magnetization Reversal (SAMR) method to perpendicular magnetoresistive random access memory (p-MRAM) with magnetic tunnel junction (MTJ) using MgO (001) oriented barrier layer, multilayer of Ta/ Terfenol-D/ Mg/ MgO and Ta/ Terfenol-D/ MgO were prepared. While the MgO layer, deposited directly on the Terfenol-D layer, did not show (100) orientatin, very thin metallic Mg layer, deposited prior to the MgO deposition, was effective to attain MgO (100) orientation. The crystalline orientation was very weak without Mg, however, the multilayer with Mg showed very strong MgO(100) peak and the MgO orientation was shifted depending on the Mg thickness.

  3. When beauty is only skin deep; optimizing the sensitivity of specular neutron reflectivity for probing structure beneath the surface of thin filmsa)

    NASA Astrophysics Data System (ADS)

    Majkrzak, Charles F.; Carpenter, Elisabeth; Heinrich, Frank; Berk, Norman F.

    2011-11-01

    Specular neutron reflectometry has become an established probe of the nanometer scale structure of materials in thin film and multilayered form. It has contributed especially to our understanding of soft condensed matter of interest in polymer science, organic chemistry, and biology and of magnetic hard condensed matter systems. In this paper we examine a number of key factors which have emerged that can limit the sensitivity of neutron reflection as such a probe. Among these is loss of phase information, and we discuss how knowledge about material surrounding a film of interest can be applied to help resolve the problem. In this context we also consider what role the quantum phenomenon of interaction-free measurement might play in enhancing the statistical efficiency for obtaining reflectivity or transmission data.

  4. YBCO thin film evaporation on as-deposited silver film on MgO

    NASA Astrophysics Data System (ADS)

    Azoulay, J.

    1999-11-01

    YBa 2Cu 3O 7- δ (YBCO) thin film was evaporated on as-deposited Ag buffer layer on MgO substrate. A simple, inexpensive vacuum system equipped with one resistively heated source was used. The subsequent heat treatment was carried out under low oxygen partial pressure at a relatively low temperature and short dwelling time. The films thus obtained were characterized for electrical properties using DC four-probe electrical measurements and inspected for structural properties and chemical composition by scanning electron microscopy (SEM). It is shown that YBCO thin film can grow on as-deposited thin silver layer on MgO substrate.

  5. Characterization of MgO substrates for growth of epitaxial YBCO thin films

    NASA Astrophysics Data System (ADS)

    Du, J.; Gnanarajan, S.; Bendavid, A.

    2005-08-01

    YBCO films were grown on magnesium oxide (MgO) substrates for fabricating step-edge junction SQUIDs and other Josephson junction-based devices. In-plane 45° grain misorientation was frequently observed in films grown on degraded or contaminated MgO substrates. The appearance of these misoriented grains results in a decrease of the thin-film critical-current density and reduces the device yield. In this work, we investigated the chemical properties of MgO substrates with various surface conditions due to different substrate preparation methods and environmental degradation, by using x-ray photoelectron spectroscopy (XPS). The XPS characteristics of the surface are compared before and after a thermal annealing at 760 °C resembling the thin-film deposition heating cycle. The MgO substrates, after lithographic processing or only weeks of exposure to the laboratory environment, showed surface degradation characterized by the presence of hydroxyl groups, carbonate, and other possible carbon compounds such as bicarbonate, alcohols and carboxyl. Heating of the substrates to 760 °C improves the surface quality to a certain degree with the removal of some of the above contaminants, but is not sufficient to recover the MgO surfaces. A final Ar ion-beam etch cleaning process at low ion energy proved to be very effective in refreshing the MgO substrate surface that had been degraded due to lithographic processing or storage. Films grown on MgO with this pre-treatment showed perfect grain alignment and high critical-current densities.

  6. Low-temperature atomic layer deposition of MgO thin films on Si

    NASA Astrophysics Data System (ADS)

    Vangelista, S.; Mantovan, R.; Lamperti, A.; Tallarida, G.; Kutrzeba-Kotowska, B.; Spiga, S.; Fanciulli, M.

    2013-12-01

    Magnesium oxide (MgO) films have been grown by atomic layer deposition in the wide deposition temperature window of 80-350 °C by using bis(cyclopentadienyl)magnesium and H2O precursors. MgO thin films are deposited on both HF-last Si(1 0 0) and SiO2/Si substrates at a constant growth rate of ˜0.12 nm cycle-1. The structural, morphological and chemical properties of the synthesized MgO thin films are investigated by x-ray reflectivity, grazing incidence x-ray diffraction, time-of-flight secondary ion mass spectrometry and atomic force microscopy measurements. MgO layers are characterized by sharp interface with the substrate and limited surface roughness, besides good chemical uniformity and polycrystalline structure for thickness above 7 nm. C-V measurements performed on Al/MgO/Si MOS capacitors, with MgO in the 4.6-11 nm thickness range, allow determining a dielectric constant (κ) ˜ 11. Co layers are grown by chemical vapour deposition in direct contact with MgO without vacuum-break (base pressure 10-5-10-6 Pa). The as-grown Co/MgO stacks show sharp interfaces and no elements interdiffusion among layers. C-V and I-V measurements have been conducted on Co/MgO/Si MOS capacitors. The dielectric properties of MgO are not influenced by the further process of Co deposition.

  7. Control of the charge state of metal atoms on thin MgO films.

    PubMed

    Sterrer, Martin; Risse, Thomas; Martinez Pozzoni, Umberto; Giordano, Livia; Heyde, Markus; Rust, Hans-Peter; Pacchioni, Gianfranco; Freund, Hans-Joachim

    2007-03-01

    The arrangement of single gold and palladium atoms deposited on the surface of a 3 monolayer thin film of MgO was investigated using low-temperature scanning tunneling microscopy. While Pd atoms are arranged in a random fashion, Au forms an ordered array on the surface. The long-range ordering as well as the scanning tunneling microscopy appearance of single Au atoms on a 3 monolayer thin MgO film can be explained by partial charge transfer from the substrate to Au atoms as predicted recently by density functional theory calculations [Phys. Rev. Lett. 94, 226104 (2005)10.1103/PhysRevLett.94.226104]. In contrast with that, Au atoms on a thick film were found to be essentially neutral.

  8. Experimental evidence for ferromagnetism at room temperature in MgO thin films.

    PubMed

    Kapilashrami, Mukes; Xu, Jun; Rao, K V; Belova, Lyuba; Carlegrim, Elin; Fahlman, Mats

    2010-09-01

    Ferromagnetic ordering at room temperature (RTFM) in MgO thin films deposited by RF magnetron sputtering under various atmospheric conditions and temperatures is reported. A saturation magnetization (M(S)) value as high as 1.58 emu g(-1) is (0.046 μB/unit cell) observed for a 170 nm film deposited at RT under an oxygen pressure of 1.3 × 10(-4) mbar. In contrast, films deposited at elevated temperature (under an identical oxygen pressure), or at higher oxygen pressures, as well as under a nitrogen atmosphere at RT show significantly suppressed magnetization. The ferromagnetic order in the MgO matrix is believed to be defect induced.

  9. Defect structure of epitaxial CrxV1-x thin films on MgO(001)

    SciTech Connect

    Kaspar, Tiffany C.; Bowden, Mark E.; Wang, Chongmin; Shutthanandan, V.; Manandhar, Sandeep; van Ginhoven, Renee M.; Wirth, Brian D.; Kurtz, Richard J.

    2014-01-01

    Epitaxial thin films of CrxV1-x over the entire composition range were deposited on MgO(001) by molecular beam epitaxy. The films exhibited the expected 45° in-plane rotation with no evidence of phase segregation or spinodal decomposition. Pure Cr, with the largest lattice mismatch to MgO, exhibited full relaxation and cubic lattice parameters. As the lattice mismatch decreased with alloy composition, residual epitaxial strain was observed. For 0.2 ≤ x ≤ 0.4 the films were coherently strained to the substrate with associated tetragonal distortion; near the lattice-matched composition of x = 0.33, the films exhibited strain-free pseudomorphic matching to MgO. Unusually, films on the Cr-rich side of the lattice-matched composition exhibited more in-plane compression than expected from the bulk lattice parameters; this result was confirmed with both x-ray diffraction and Rutherford backscattering spectrometry channeling measurements. Although thermal expansion mismatch in the heterostructure may play a role, the dominant mechanism for this phenomenon is still unknown. High resolution transmission electron microscopy was utilized to characterize the misfit dislocation network present at the film/MgO interface. Dislocations were found to be present with a non-uniform distribution, which is attributed to the Volmer-Weber growth mode of the films. The CrxV1-x / MgO(001) system can serve as a model system to study both the fundamentals of defect formation in bcc films and the interplay between nanoscale defects such as dislocations and radiation damage.

  10. Formation of Catalyst Model Dispersed of Pd on a thin MgO(100)

    NASA Astrophysics Data System (ADS)

    Baara, F.; Chemam, A.

    2016-04-01

    The nucleation kinetics or the formation of a catalyst model dispersed for the system Pd/thin MgO (100) are calculated by developing many programs using Fortran software. This simulation is based upon parameters studied in situ by transmission electron microscopy (TEM), related to the first quantitative study on the nucleation and the growth. Palladium nanoparticles deposited on thin MgO are tested in the temperature range 573-1073 K and deposition time of 1000 s. The nucleation kinetics are interpreted according to the theory of random nucleation. The general scheme is consisting of three stages namely, nucleation, growth and coalescence. The saturation density of clusters decreases when the substrate temperature increases following Arrhenius law. This behavior is in agreement with a recent AFM study for Ag/MgO and Au/MgO. The phenomenon of coalescence is explained via island migration process. It is shown that the coalescence occurs more rapidly when the substrate temperature is high.

  11. Microstructure and magnetic properties of FeCo epitaxial thin films grown on MgO single-crystal substrates

    SciTech Connect

    Shikada, Kouhei; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-04-01

    FeCo epitaxial films were prepared on MgO(100), MgO(110), and MgO(111) substrates by ultrahigh vacuum molecular beam epitaxy. FeCo thin films with (100), (211), and (110) planes parallel to the substrate surface grow on respective MgO substrates. FeCo/MgO interface structures are studied by high-resolution cross-sectional transmission electron microscopy and the epitaxial growth mechanism is discussed. Atomically sharp boundaries are recognized between the FeCo thin films and the MgO substrates where misfit dislocations are introduced in the FeCo thin films presumably to decrease the lattice misfits. Misfit dislocations are observed approximately every 9 and 1.4 nm in FeCo thin film at the FeCo/MgO(100) and the FeCo/MgO(110) interfaces, respectively. X-ray diffraction analysis indicates that the lattice spacing measured parallel to the single-crystal substrate surfaces are in agreement within 0.1% with those of the respective bulk values of Fe{sub 50}Co{sub 50} alloy crystal, showing that the FeCo film strain is very small. The magnetic anisotropies of these epitaxial films basically reflect the magnetocrystalline anisotropy of bulk FeCo alloy crystal.

  12. Two-color Laser Desorption of Nanostructured MgO Thin Films

    SciTech Connect

    Beck, Kenneth M.; Joly, Alan G.; Hess, Wayne P.

    2009-09-30

    Neutral magnesium atom emission from nanostructured MgO thin films is induced using two-color nanosecond laser excitation. We find that combined visible/UV excitation, for single-color pulse energies below the desorption threshold, induces neutral Mg-atom emission with hyperthermal kinetic energies in the range of 0.1- 0.2 eV. The observed metal atom emission is consistent with a mechanism involving rapid electron transfer to 3-coordinated Mg surface sites. The two-color Mg-atom signal is significant only for parallel laser polarizations and temporally overlapped laser pulses indicating that intermediate excited states are short-lived compared to the 5 nanosecond laser pulse duration.

  13. Sputter-induced grain boundary junctions in YBa2Cu3O7 - x thin films on MgO

    NASA Astrophysics Data System (ADS)

    Vuchic, B. V.; Merkle, K. L.; Dean, K. A.; Buchholz, D. B.; Chang, R. P. H.; Marks, L. D.

    1995-03-01

    A low voltage argon ion sputter technique was used to form grain boundary junctions in YBa2Cu3O7-x thin films on MgO. The YBa2Cu3O7-x thin film grown on a pre-sputtered region of MgO was rotated 45° about the [001] axis relative to the YBa2Cu3O7-x thin film grown on an adjacent unsputtered region of the substrate. YBa2Cu3O7-x thin films were grown using pulsed organometallic beam epitaxy (POMBE). The current-voltage and resistance-temperature characteristics of individual grain boundary junctions demonstrated weak-link-type behavior. Sputter-induced 45° grain boundary junctions are advantageous in device applications because they are planar and simple to form in many configurations.

  14. Strain effects in epitaxial Mn{sub 2}O{sub 3} thin film grown on MgO(100)

    SciTech Connect

    Dang Duc Dung; Duong Van Thiet; Duong Anh Tuan; Cho, Sunglae

    2013-05-07

    We report on the epitaxial growth and magnetic properties of Mn{sub 2}O{sub 3} thin films grown on MgO(001) substrate by molecular beam epitaxy. We observed the reduction in binding energy of Mn valence states, the increase in satellite separation up to 12.7 eV, and the smaller band gap of 3.32 eV. In addition, the antiferromagnetic ordering below 90 K in bulk changed to ferrimagnetic up to 175 K. The results were possibly to be explained by a lattice mismatch strain on Mn{sub 2}O{sub 3} film on MgO(001) substrate.

  15. Tunneling processes in asymmetric double barrier magnetic tunnel junctions with a thin top MgO layer

    SciTech Connect

    Li, D. L.; Feng, J. F.; Yu, G. Q.; Guo, P.; Wei, H. X.; Han, X. F.; Chen, J. Y.; Coey, J. M. D.

    2013-12-07

    Dynamic conductance dI/dV and inelastic electron tunneling spectroscopy (IETS) d{sup 2}I/dV{sup 2} have been measured at different temperatures for double barrier magnetic tunnel junctions with a thin top MgO layer. The resistance in the antiparallel state exhibits a normal tunnel-like behavior, while the resistance in the parallel state shows metallic-like transport, indicating the presence of pinholes in the thin top MgO layer. Three IETS peaks are the zero-bias anomaly, interface magnons, and barrier phonons in both the parallel and antiparallel states. The zero-bias anomaly is the strongest peak in the parallel state and its intensity decreases with temperature. The magnon has the largest intensity in the antiparallel state and its intensity also decreases with temperature. The origins of the dips and peaks in the dI/dV-V curve are also discussed.

  16. Co2FeAl Heusler thin films grown on Si and MgO substrates: Annealing temperature effect

    NASA Astrophysics Data System (ADS)

    Belmeguenai, M.; Tuzcuoglu, H.; Gabor, M. S.; Petrisor, T.; Tiusan, C.; Zighem, F.; Chérif, S. M.; Moch, P.

    2014-01-01

    10 nm and 50 nm Co2FeAl (CFA) thin films have been deposited on MgO(001) and Si(001) substrates by magnetron sputtering and annealed at different temperatures. X-rays diffraction revealed polycrystalline or epitaxial growth (according to CFA(001)[110]//MgO(001)[100] epitaxial relation) for CFA films grown on a Si and on a MgO substrate, respectively. For these later, the chemical order varies from the A2 phase to the B2 phase when increasing the annealing temperature (Ta), while only the A2 disorder type has been observed for CFA grown on Si. Microstrip ferromagnetic resonance (MS-FMR) measurements revealed that the in-plane anisotropy results from the superposition of a uniaxial and a fourfold symmetry term for CFA grown on MgO substrates. This fourfold anisotropy, which disappears completely for samples grown on Si, is in accord with the crystal structure of the samples. The fourfold anisotropy field decreases when increasing Ta, while the uniaxial anisotropy field is nearly unaffected by Ta within the investigated range. The MS-FMR data also allow for concluding that the gyromagnetic factor remains constant and that the exchange stiffness constant increases with Ta. Finally, the FMR linewidth decreases when increasing Ta, due to the enhancement of the chemical order. We derive a very low intrinsic damping parameter (1.1×10-3 and 1.3×10-3 for films of 50 nm thickness annealed at 615 °C grown on MgO and on Si, respectively).

  17. Application of ion scattering spectroscopy to measurement of surface potential of MgO thin film under ion irradiation

    SciTech Connect

    Nagatomi, T.; Kuwayama, T.; Takai, Y.; Yoshino, K.; Morita, Y.; Kitagawa, M.; Nishitani, M.

    2008-02-25

    An experimental approach was proposed for the measurement of the surface potential (SP) induced on an insulator surface during ion irradiation by ion scattering spectroscopy (ISS). The resultant ISS spectra obtained for a MgO thin film of 600 nm thickness on a Si substrate under 950 eV He{sup +} irradiation revealed that the surface is positively charged by approximately 230 V. In addition, the onset energy of a secondary ion peak indicated a SP of approximately 205 V. The present results confirmed that ISS is an effective technique for measuring the SP during ion irradiation.

  18. Electron backscatter diffraction analysis applied to [0 0 1] magnetite thin films grown on MgO substrates

    NASA Astrophysics Data System (ADS)

    Koblischka-Veneva, A.; Koblischka, M. R.; Zhou, Y.; Murphy, S.; Mücklich, F.; Hartmann, U.; Shvets, I. V.

    2007-09-01

    Electron backscatter diffraction (EBSD) analysis is applied to [0 0 1] oriented magnetite thin films grown on MgO substrates. A high image quality of the Kikuchi patterns was achieved enabling multi-phase scans. Several types of magnetite thin films were analyzed; one as-grown and the others after different annealing steps in oxygen atmosphere. From the EBSD mappings, we learn that the optimum orientation in [0 0 1]-direction is not yet achieved for the as-grown sample, but develops upon oxygen treatment. Furthermore, the distribution of misorientation angles within the investigated area (=1 grain) is found to change during the annealing steps. After 3 min of annealing, most of the misorientations around 30°-40° have vanished, and some islands with high misorientation angles remain, which may play a role as antiferromagnetic pinning centers.

  19. Superconducting YBa 2Cu 3O 7- δ thin film grown on metallic film evaporated on MgO

    NASA Astrophysics Data System (ADS)

    Verdyan, A.; Azoulay, J.; Lapsker, I.

    2001-03-01

    At present it is commonly accepted that thin film formation of YBa 2Cu 3O 7- δ (YBCO) on conducting substrate is one of the keys to further development of advanced devices in the microelectronic and other applications. We have grown YBCO thin films by resistive evaporation technique on MgO coated with metallic layers (Ni or Ag). A simple inexpensive vacuum system equipped with resistively heated boats for metal and precursor mixture of yttrium, copper and barium fluoride powders was used. X-ray diffraction (XRD) and scanning electron microscopy techniques were used for texture, morphology and surface analyses respectively. Electrical and magnetical properties were determined by a standard dc four-probe method. The way of heating process is shown to be critical parameter in the film quality. The physical and electrical properties of the YBCO films are discussed in light of the fact that XRD measurements done on the metallic buffer layers have revealed a multicrystalline structure.

  20. Unusual dissociative adsorption of H2 over stoichiometric MgO thin film supported on molybdenum

    NASA Astrophysics Data System (ADS)

    Song, Zhenjun; Xu, Hu

    2016-03-01

    The dissociation of a hydrogen molecule on perfect MgO(0 0 1) films deposited on Mo(0 0 1) surface is investigated systematically using periodic density-functional theory (DFT) method. The unusual adsorption behavior of heterolytic dissociative hydrogen molecule at neighboring surface oxygen and surface magnesium, is clarified here. To our knowledge, this heterolytic dissociative state has never been found before on bulk MgO(0 0 1) or metal supported perfect MgO(0 0 1) surfaces (without low coordination sites). The results confirm that, in all cases, the heterolytic dissociation is much more favorable that homolytic dissociation both energetically and kinetically. The energy differences between two dissociative states are very large, in the range of 1.1 eV-1.5 eV for Mo supported 1 ML-3 ML oxide films, which inhibits, to a great extent, the homolytic dissociation in the respect of reaction thermodynamics. The energy barriers of heterolytic dissociation are about 0.5 eV, much lower that the barrier of homolytic dissociation. The transformation reaction on thick films will be more endothermic. Passing through heterolytic dissociation state has significantly lowered the reaction heat and the energy barrier for obtaining homolytic dissociative structure, which makes the homolytic splitting of H2 easier on 2 ML oxide films. The results provide a useful strategy for enhancing the reactivity of the nonreducible metal oxide.

  1. Temperature dependence of reliability characteristics for magnetic tunnel junctions with a thin MgO dielectric film

    NASA Astrophysics Data System (ADS)

    Choi, Chul-Min; Oh, Young-Taek; Kim, Kyung-Jun; Park, Jin-Suk; Sukegawa, Hiroaki; Mitani, Seiji; Kim, Sung-Kyu; Lee, Jeong-Yong; Song, Yun-Heub

    2016-07-01

    Temperature dependence of the reliability characteristics of magnetic tunnel junctions (MTJs) with a thin (∼1 nm thick) MgO dielectric film were investigated by numerical analyses based on the E-model, 1/E-model, and power-law voltage V-model, as well as by measuring time-dependent dielectric breakdown (TDDB) degradation. Although the tunneling process giving rise to TDDB is still under debate, the temperature dependence of TDDB was much weaker using the 1/E model than the E-model or power-law model. The TDDB data measured experimentally in CoFeB/MgO/CoFeB MTJ devices also showed rather weak temperature dependence, in good agreement with the numerical results obtained from the 1/E-model considering the self-heating effect in MTJ devices. Moreover, we confirmed by interval voltage stress tests that some degradation in the MgO dielectric layer occurred. Based on our findings, we suggest that to characterize the reliability of MTJs, combined temperature measurements of TDDB and 1/E-model analyses taking the self-heating effect into account should be performed.

  2. Magnetic properties of Sm-Co thin films grown on MgO(100) deposited from a single alloy target

    SciTech Connect

    Verhagen, T. G. A.; Boltje, D. B.; Ruitenbeek, J. M. van; Aarts, J.

    2014-08-07

    We have grown epitaxial Sm-Co thin films by sputter deposition from a single alloy target with a nominal SmCo{sub 5} composition on Cr(100)-buffered MgO(100) single-crystal substrates. By varying the Ar gas pressure, we can change the composition of the film from a SmCo{sub 5}-like to a Sm{sub 2}Co{sub 7}-like phase. The composition, crystal structure, morphology, and magnetic properties of these films have been determined using Rutherford Backscattering, X-ray diffraction, and magnetization measurements. We find that we can grow films with, at room temperature, coercive fields as high as 3.3 T, but with a remanent magnetization which is lower than can be expected from the texturing. This appears to be due to the Sm content of the films, which is higher than expected from the content of the target, even at the lowest possible sputtering pressures. Moreover, we find relatively large variations of film properties using targets of nominally the same composition. At low temperatures, the coercive fields increase, as expected for these hard magnets, but in the magnetization, we observe a strong background signal from the paramagnetic impurities in the MgO substrates.

  3. Superconducting YBCO thin film on multicrystalline Ag film evaporated on MgO substrate

    NASA Astrophysics Data System (ADS)

    Azoulay, Jacob; Verdyan, Armen; Lapsker, Igor

    Superconducting YBa 2Cu 3O 7-δ films were grown by resistive evaporation on multicrystalline silver film which was evaporated on MgO substrate. A simple inexpensive vacuum system equipped with resistively heated boat was used for the whole process. Silver film was first evaporated on MgO substrate kept at 400°C during the evaporation after which with no further annealing a precursor mixture of yttrium small grains and Cu and BaF2 in powder form weighed in the atomic proportion to yield stoichiometric YBa 2Cu 3O 7 was evaporated. The films thus obtained were annealed at 740°C under low oxygen partial pressure of about 1Pa for 30 minutes to form the superconducting phase. X-ray diffraction and scanning electron microscopy techniques were used for texture and surface analysis. Electrical properties were determined using a standard dc four-probe for electrical measurements. The physical and electrical properties of the YBCO films are discussed in light of the fact that X-ray diffraction measurements done on the silver film have revealed a multicrystalline structure

  4. From embedded nanoislands to thin films: Topographic and optical properties of europium oxide on MgO(001) films

    NASA Astrophysics Data System (ADS)

    Stavale, Fernando; Pascua, Leandro; Nilius, Niklas; Freund, Hans-Joachim

    2012-08-01

    Combining scanning tunneling microscopy and cathodoluminescence spectroscopy, we have explored different routes to produce luminescent MgOEu films on a Mo(001) support. Codeposition of Eu and Mg in an O2 ambience turned out to be unsuitable to prepare crystalline mixed oxides with distinct emission properties because of the large mismatch between the Eu and the Mg ion radius. In contrast, highly luminescent samples were obtained after annealing MgO-supported Eu particles in oxygen. The optically active species were identified as nanosized Eu2O3 islands embedded in the first MgO layer, while single Eu ions inside the host lattice are of minor importance. The MgOEu adsorption system exhibits a rich photon spectrum that comprises five emission bands in the wavelength region between 565 and 725 nm. They are assigned to electron transitions from the 5D0 excited to the 7FJ ground states of Eu3+, with the J quantum number running from 0 to 4. From the relative intensities of certain J transitions, we conclude that the respective Eu3+ ions occupy sites without inversion symmetry, a condition that is best fulfilled by Eu species at the perimeter of the Eu2O3 nanoislands. With increasing exposure, a europium-oxide film develops on top of the MgO surface, whose weak spectral signature is compatible with Eu3+ ions in more centrosymmetric surroundings. Our work demonstrates that relevant properties of Eu-based phosphors, being typically prepared in the form of powder samples, can be generated in thin-film systems as well, the latter being accessible to a range of surface-science techniques due to their finite conductivity.

  5. Heteroepitaxial growth of Pt and Au thin films on MgO single crystals by bias-assisted sputtering.

    PubMed

    Tolstova, Yulia; Omelchenko, Stefan T; Shing, Amanda M; Atwater, Harry A

    2016-03-17

    The crystallographic orientation of a metal affects its surface energy and structure, and has profound implications for surface chemical reactions and interface engineering, which are important in areas ranging from optoelectronic device fabrication to catalysis. However, it can be very difficult and expensive to manufacture, orient, and cut single crystal metals along different crystallographic orientations, especially in the case of precious metals. One approach is to grow thin metal films epitaxially on dielectric substrates. In this work, we report on growth of Pt and Au films on MgO single crystal substrates of (100) and (110) surface orientation for use as epitaxial templates for thin film photovoltaic devices. We develop bias-assisted sputtering for deposition of oriented Pt and Au films with sub-nanometer roughness. We show that biasing the substrate decreases the substrate temperature necessary to achieve epitaxial orientation, with temperature reduction from 600 to 350 °C for Au, and from 750 to 550 °C for Pt, without use of transition metal seed layers. In addition, this temperature can be further reduced by reducing the growth rate. Biased deposition with varying substrate bias power and working pressure also enables control of the film morphology and surface roughness.

  6. Heteroepitaxial growth of Pt and Au thin films on MgO single crystals by bias-assisted sputtering

    DOE PAGESBeta

    Tolstova, Yulia; Omelchenko, Stefan T.; Shing, Amanda M.; Atwater, Harry A.

    2016-03-17

    The crystallographic orientation of a metal affects its surface energy and structure, and has profound implications for surface chemical reactions and interface engineering, which are important in areas ranging from optoelectronic device fabrication to catalysis. However, it can be very difficult and expensive to manufacture, orient, and cut single crystal metals along different crystallographic orientations, especially in the case of precious metals. One approach is to grow thin metal films epitaxially on dielectric substrates. In this work, we report on growth of Pt and Au films on MgO single crystal substrates of (100) and (110) surface orientation for use asmore » epitaxial templates for thin film photovoltaic devices. We develop bias-assisted sputtering for deposition of oriented Pt and Au films with sub-nanometer roughness. We show that biasing the substrate decreases the substrate temperature necessary to achieve epitaxial orientation, with temperature reduction from 600 to 350 °C for Au, and from 750 to 550 °C for Pt, without use of transition metal seed layers. Additionally, this temperature can be further reduced by reducing the growth rate. Biased deposition with varying substrate bias power and working pressure also enables control of the film morphology and surface roughness.« less

  7. The microstructure, electronic, and magnetic characterization of highly ordered Co{sub 2}MnSi thin films deposited on MgO substrate

    SciTech Connect

    Yang, F. J.; Chen, X. Q.

    2013-06-24

    Co{sub 2}MnSi thin films are usually deposited on Cr-buffered MgO substrate. In this work, Co{sub 2}MnSi thin films were deposited directly on MgO substrate and annealed at 350 Degree-Sign C to 650 Degree-Sign C to investigate the evolution of microstructure, electronic, and magnetic properties. Due to nearly perfect B2-ordering and very good L2{sub 1}-ordering, the M{sub s} increases to 1029 emu/cc and H{sub c} decreases to 27 Oe, respectively, after annealing at 650 Degree-Sign C. The large residual resistance ratio (RRR = 2.40) and small magnetic damping constant ({alpha} = 0.0039) further demonstrates that nearly perfect B2-ordering, good L2{sub 1} ordering, and nearly perfect film quality have been achieved.

  8. Band gap and defect states of MgO thin films investigated using reflection electron energy loss spectroscopy

    SciTech Connect

    Heo, Sung; Cho, Eunseog; Lee, Hyung-Ik; Park, Gyeong Su; Kang, Hee Jae; Nagatomi, T.; Choi, Pyungho; Choi, Byoung-Deog

    2015-07-15

    The band gap and defect states of MgO thin films were investigated by using reflection electron energy loss spectroscopy (REELS) and high-energy resolution REELS (HR-REELS). HR-REELS with a primary electron energy of 0.3 keV revealed that the surface F center (FS) energy was located at approximately 4.2 eV above the valence band maximum (VBM) and the surface band gap width (E{sub g}{sup S}) was approximately 6.3 eV. The bulk F center (F{sub B}) energy was located approximately 4.9 eV above the VBM and the bulk band gap width was about 7.8 eV, when measured by REELS with 3 keV primary electrons. From a first-principles calculation, we confirmed that the 4.2 eV and 4.9 eV peaks were F{sub S} and F{sub B}, induced by oxygen vacancies. We also experimentally demonstrated that the HR-REELS peak height increases with increasing number of oxygen vacancies. Finally, we calculated the secondary electron emission yields (γ) for various noble gases. He and Ne were not influenced by the defect states owing to their higher ionization energies, but Ar, Kr, and Xe exhibited a stronger dependence on the defect states owing to their small ionization energies.

  9. Magneto-transport and thermoelectric properties of epitaxial FeSb{sub 2} thin film on MgO substrate

    SciTech Connect

    Duong, Anh Tuan; Rhim, S. H. Shin, Yooleemi; Nguyen, Van Quang; Cho, Sunglae

    2015-01-19

    We report magneto-transport and thermoelectric properties of FeSb{sub 2} thin film epitaxially grown on the MgO substrate using molecular beam epitaxy. The film exhibits compressive strain of 1.74% owing to large lattice mismatch, whose physical consequences are nontrivial. Magnetic phase has been changed from diamagnetic in bulk, as evidenced by anomalous Hall effect (AHE) and negative magneto-resistance (MR). The FeSb{sub 2} film is semiconducting without any metallic transition unlike the bulk counterpart. In particular, hysteresis in MR with distinct feature of AHE is evident with coercive field of 500 and 110 Oe for T = 20 and 50 K, respectively. Furthermore, from the Seebeck coefficients and temperature dependence of the resistivity, it is evident that the film is semiconducting with small band gap: 3.76 meV for T < 40 K and 13.48 meV for T > 40 K, respectively, where maximum thermoelectric power factor of 12 μV/cm·K at T = 50 K.

  10. Co2FeAl thin films grown on MgO substrates: Correlation between static, dynamic, and structural properties

    NASA Astrophysics Data System (ADS)

    Belmeguenai, M.; Tuzcuoglu, H.; Gabor, M. S.; Petrisor, T., Jr.; Tiusan, C.; Berling, D.; Zighem, F.; Chauveau, T.; Chérif, S. M.; Moch, P.

    2013-05-01

    Co2FeAl (CFA) thin films with thickness varying from 10 to 115 nm have been deposited on MgO(001) substrates by magnetron sputtering and then capped by a Ta or Cr layer. X-ray diffraction (XRD) revealed that the cubic [001] CFA axis is normal to the substrate and that all the CFA films exhibit full epitaxial growth. The chemical order varies from the B2 phase to the A2 phase when decreasing the thickness. Magneto-optical Kerr effect (MOKE) and vibrating sample magnetometer (VSM) measurements show that, depending on the field orientation, one- or two-step switchings occur. Moreover, the films present a quadratic MOKE signal increasing with the CFA thickness, due to the increasing chemical order. Ferromagnetic resonance (FMR), MOKE transverse bias initial inverse susceptibility and torque (TBIIST) measurements reveal that the in-plane anisotropy results from the superposition of a uniaxial and of a fourfold symmetry term. The fourfold anisotropy is in accord with the crystal structure of the samples and is correlated to the biaxial strain and to the chemical order present in the films. In addition, a large negative perpendicular uniaxial anisotropy is observed. Frequency and angular dependencies of the ferromagnetic resonance linewidth show two magnon scattering and mosaicity contributions, which depend on the CFA thickness. A Gilbert damping coefficient as low as 0.0011 is found.

  11. Giant perpendicular magnetocrystalline anisotropy of 3d transition-metal thin films on MgO

    SciTech Connect

    Nakamura, Kohji Ikeura, Yushi; Akiyama, Toru; Ito, Tomonori

    2015-05-07

    Magnetocrystalline anisotropy (MCA) of the Fe-based transition-metal thin films was investigated by means of first principles full-potential linearized augmented plane wave method. A giant perpendicular MCA (PMCA), up to 3 meV, was confirmed in a 7-layer Fe-Ni film/MgO(001), where an Fe{sub 2}/Ni/Fe/Ni/Fe{sub 2} atomic-layer alignment with a bcc-like-layer stacking and the Fe/MgO interfaces play key roles for leading to the large PMCA. Importantly, we find that the PMCA overcomes enough over the magnetic dipole-dipole anisotropy that favors the in-plane magnetization even when the film thickness increases.

  12. Co{sub 2}FeAl Heusler thin films grown on Si and MgO substrates: Annealing temperature effect

    SciTech Connect

    Belmeguenai, M. Tuzcuoglu, H.; Zighem, F.; Chérif, S. M.; Moch, P.; Gabor, M. S. Petrisor, T.; Tiusan, C.

    2014-01-28

    10 nm and 50 nm Co{sub 2}FeAl (CFA) thin films have been deposited on MgO(001) and Si(001) substrates by magnetron sputtering and annealed at different temperatures. X-rays diffraction revealed polycrystalline or epitaxial growth (according to CFA(001)[110]//MgO(001)[100] epitaxial relation) for CFA films grown on a Si and on a MgO substrate, respectively. For these later, the chemical order varies from the A2 phase to the B2 phase when increasing the annealing temperature (T{sub a}), while only the A2 disorder type has been observed for CFA grown on Si. Microstrip ferromagnetic resonance (MS-FMR) measurements revealed that the in-plane anisotropy results from the superposition of a uniaxial and a fourfold symmetry term for CFA grown on MgO substrates. This fourfold anisotropy, which disappears completely for samples grown on Si, is in accord with the crystal structure of the samples. The fourfold anisotropy field decreases when increasing T{sub a}, while the uniaxial anisotropy field is nearly unaffected by T{sub a} within the investigated range. The MS-FMR data also allow for concluding that the gyromagnetic factor remains constant and that the exchange stiffness constant increases with T{sub a}. Finally, the FMR linewidth decreases when increasing T{sub a}, due to the enhancement of the chemical order. We derive a very low intrinsic damping parameter (1.1×10{sup −3} and 1.3×10{sup −3} for films of 50 nm thickness annealed at 615 °C grown on MgO and on Si, respectively)

  13. Bayesian Analysis of an Excitonic Absorption Spectrum in a Cu2O Thin Film Sandwiched by Paired MgO Plates

    NASA Astrophysics Data System (ADS)

    Iwamitsu, Kazunori; Aihara, Shingo; Okada, Masato; Akai, Ichiro

    2016-09-01

    We analyzed the absorption spectrum of a Cu2O thin film sandwiched by paired MgO plates with the Metropolis algorithm of Bayesian estimation to estimate the energy shift of a yellow excitonic band gap. In the absorption spectrum, discrete excitonic resonant transitions with homogeneous and inhomogeneous widths are superimposed upon the tail parts of excitonic continuum and band-to-band absorption bands. On the basis of the Metropolis samplings with 2.5 million steps after sufficient burn-in steps, the spectral parameters of the excitonic resonant transitions can be estimated satisfactorily with a high degree of accuracy. In particular, we demonstrated that the yellow excitonic band gap in the Cu2O thin film shifts to the lower energy side than that of Cu2O bulk crystals. This result is consistent with the stress relaxation model for such Cu2O thin films, which was reported in Eur. Phys. J. B 86, 194 (2013).

  14. Characterisation of epitaxial TiO 2 thin films grown on MgO(0 0 1) using atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Mitchell, D. R. G.; Attard, D. J.; Triani, G.

    2005-11-01

    Thin films of TiO 2 have been deposited onto MgO(0 0 1) substrates using atomic layer deposition at 300 °C. Plan and cross-sectional transmission electron microscopy (TEM), X-ray diffraction and atomic force microscopy have been used to understand the nature of the films. X-ray and electron diffraction showed that a polycrystalline, epitaxial anatase film was produced. The c-axis of the anatase was parallel to the MgO(0 0 1) surface with two orientational variants at right angles to each other in the plane of the film, each aligned with an MgO cube axis. Plan-view and cross-sectional TEM showed that the grain structure of the film reflected this orientation relationship, with the grain morphology comprising two sets of roughly tetragonal grains. Also present was a small fraction of equiaxed, anatase grains which were randomly oriented. Roughness measurement using atomic force microscopy showed that the epitaxial anatase films were quite smooth, in comparison to equivalent non-aligned films grown on silicon.

  15. Thickness dependence of the twin density in YBa sub 2 Cu sub 3 O sub 7 minus. delta. thin films sputtered onto MgO substrates

    SciTech Connect

    Streiffer, S.K.; Zielinski, E.M.; Lairson, B.M.; Bravman, J.C. )

    1991-05-13

    The lengths and spacings of twins in YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} thin films deposited onto MgO substrates have been measured by transmission electron microscopy as a function of film thickness {ital t}, for {ital t} ranging from 50 to 1400 nm. The twin length is linear in {ital t}, while the twin spacing follows a {ital t}{sup 1/2} dependence. This form for the twin spacing is consistent with the prediction of a simple free energy expression for the twinning transformation.

  16. A p-type Heusler compound: Growth, structure, and properties of epitaxial thin NiYBi films on MgO(100)

    SciTech Connect

    Shan Rong; Ouardi, Siham; Fecher, Gerhard H.; ViolBarbosa, Carlos E.; Felser, Claudia; Gao Li; Kellock, Andrew; Parkin, Stuart S. P.; Gloskovskii, Andrei; Ikenaga, Eiji

    2012-11-19

    Epitaxial semiconducting NiYBi thin films were directly prepared on MgO(100) substrates by magnetron sputtering. The intensity ratio of the (200) and (400) diffraction peaks, I(200)/I(400) = 2.93, was close to the theoretical value (3.03). The electronic structure of NiYBi was calculated using wien2k, and a narrow indirect band gap of width of 210 meV was found. The valence band spectra of the films obtained by linear dichroism in hard x-ray photoelectron spectroscopy exhibit clear structures that are in good agreement with the calculated band structure of NiYBi.

  17. Modifying magnetic properties of ultra-thin magnetite films by growth on Fe pre-covered MgO(001)

    SciTech Connect

    Schemme, T. Krampf, A.; Kuepper, K.; Wollschläger, J.; Bertram, F.; Kuschel, T.

    2015-09-21

    Iron oxide films were reactively grown on iron buffer films, which were deposited before on MgO(001) substrates to analyze the influence of the initial iron buffer layers on the magnetic properties of the magnetite films. X-ray photoelectron spectroscopy and low energy electron diffraction showed that magnetite films of high crystalline quality in the surface near region were formed by this two-step deposition procedure. The underlying iron film, however, was completely oxidized as proved by x-ray reflectometry and diffraction. The structural bulk quality of the iron oxide film is poor compared to magnetite films directly grown on MgO(001). Although the iron film was completely oxidized, we found drastically modified magnetic properties for these films using the magnetooptic Kerr effect. The magnetite films had strongly increased coercive fields, and their magnetic in-plane anisotropy is in-plane rotated by 45∘ compared to magnetite films formed directly by one step reactive growth on MgO(001)

  18. Effect of deposition pressure on the microstructure and thermoelectric properties of epitaxial ScN(001) thin films sputtered onto MgO(001) substrates

    DOE PAGESBeta

    Burmistrova, Polina V.; Zakharov, Dmitri N.; Favaloro, Tela; Mohammed, Amr; Stach, Eric A.; Shakouri, Ali; Sands, Timothy D.

    2015-03-14

    Four epitaxial ScN(001) thin films were successfully deposited on MgO(001) substrates by dc reactive magnetron sputtering at 2, 5, 10, and 20 mTorr in an Ar/N2 ambient atmosphere at 650 °C. The microstructure of the resultant films was analyzed by x-ray diffraction, scanning electron microscopy, and transmission electron microscopy. Electrical resistivity, electron mobility and concentration were measured using the room temperature Hall technique, and temperature dependent in-plain measurements of the thermoelectric properties of the ScN thin films were performed. The surface morphology and film crystallinity significantly degrade with increasing deposition pressure. The ScN thin film deposited at 20 mTorr exhibitsmore » the presence of <221> oriented secondary grains resulting in decreased electric properties and a low thermoelectric power factor of 0.5 W/m-K² at 800 K. ScN thin films grown at 5 and 10 mTorr are single crystalline, yielding the power factor of approximately 2.5 W/m-K² at 800 K. The deposition performed at 2 mTorr produces the highest quality ScN thin film with the electron mobility of 98 cm² V⁻¹ s⁻¹ and the power factor of 3.3 W/m-K² at 800 K.« less

  19. Effect of deposition pressure on the microstructure and thermoelectric properties of epitaxial ScN(001) thin films sputtered onto MgO(001) substrates

    SciTech Connect

    Burmistrova, Polina V.; Zakharov, Dmitri N.; Favaloro, Tela; Mohammed, Amr; Stach, Eric A.; Shakouri, Ali; Sands, Timothy D.

    2015-03-14

    Four epitaxial ScN(001) thin films were successfully deposited on MgO(001) substrates by dc reactive magnetron sputtering at 2, 5, 10, and 20 mTorr in an Ar/N2 ambient atmosphere at 650 °C. The microstructure of the resultant films was analyzed by x-ray diffraction, scanning electron microscopy, and transmission electron microscopy. Electrical resistivity, electron mobility and concentration were measured using the room temperature Hall technique, and temperature dependent in-plain measurements of the thermoelectric properties of the ScN thin films were performed. The surface morphology and film crystallinity significantly degrade with increasing deposition pressure. The ScN thin film deposited at 20 mTorr exhibits the presence of <221> oriented secondary grains resulting in decreased electric properties and a low thermoelectric power factor of 0.5 W/m-K² at 800 K. ScN thin films grown at 5 and 10 mTorr are single crystalline, yielding the power factor of approximately 2.5 W/m-K² at 800 K. The deposition performed at 2 mTorr produces the highest quality ScN thin film with the electron mobility of 98 cm² V⁻¹ s⁻¹ and the power factor of 3.3 W/m-K² at 800 K.

  20. Epitaxial growth of fcc-Co{sub x}Ni{sub 100-x} thin films on MgO(110) single-crystal substrates

    SciTech Connect

    Ohtake, Mitsuru; Nukaga, Yuri; Sato, Yoichi; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-12-15

    Co{sub x}Ni{sub 100-x} (x=100, 80, 20, 0 at. %) epitaxial thin films were prepared on MgO(110) single-crystal substrates heated at 300 deg. C by ultrahigh vacuum molecular beam epitaxy. The growth mechanism is discussed based on lattice strain and crystallographic defects. CoNi(110) single-crystal films with a fcc structure are obtained for all compositions. Co{sub x}Ni{sub 100-x} film growth follows the Volmer-Weber mode. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of the Co{sub x}Ni{sub 100-x} films are in agreement within +-0.5% with the values of the respective bulk Co{sub x}Ni{sub 100-x} crystals, suggesting that the strain in the film is very small. High-resolution cross-sectional transmission microscopy shows that an atomically sharp boundary is formed between a Co(110){sub fcc} film and a MgO(110) substrate, where periodical misfit dislocations are preferentially introduced in the film at the Co/MgO interface. The presence of such periodical misfit dislocations relieves the strain caused by the lattice mismatch between the film and the substrate.

  1. Growth of InFeCoO 4 thin films on SrTiO 3 and MgO substrates

    NASA Astrophysics Data System (ADS)

    Matvejeff, M.; Lippmaa, M.

    2010-08-01

    We have studied the effect of deposition conditions and strain on the phase stability, grain structure, grain orientation, crystallinity, and magnetism of InFeCoO 4 spinel thin films grown on single-crystal (0 0 1) SrTiO 3 (STO) and (0 0 1) MgO substrates. The growth window for good-quality films exhibiting uniform orientation was observed to be very narrow with deviations from optimal conditions resulting in highly disordered growth characterized by mixed (0 0 1) and (1 1 1) type orientations, expanded out-of-plane lattice constants, and reduced symmetry for the (0 0 1) oriented grains. Bulk-like magnetic properties could be obtained in films grown on STO under optimal conditions, whereas significantly lower values for saturation magnetization and TC were observed for the disordered samples. The absence of frequency-dependent components in AC-magnetization measurements indicates the absence of a glassy state previously observed in bulk InFeCoO 4. The significantly smaller grain size of the samples grown on MgO at optimal conditions resulted in depressed TC in addition to a strong superparamagnetic effect below 20 K.

  2. YBa2Cu3O7-δ - ag Sputtered Thin Films on MgO (100) and LaAlO3 (100) Biased and Unbiased Substrates

    NASA Astrophysics Data System (ADS)

    Moshfegh, A. Z.; Akhavan, O.; Salamati, H.; Kameli, P.; Akhavan, M.

    2000-09-01

    In this investigation, we have deposited YBa2Cu3O7-δ - Ag thin films on various biased and unbiased substrates, including MgO (100), LaAlO3 (100) and Si (111), using a single stoichiometric composite target of YBa2Cu3O7-δ with 10 wt.% Ag content, applying DC sputtering technique. The growth parameters are varied as following: sputtering gas pressure PAr = 100 - 300 mtorr, sputtering power P = 30 - 80 W, substrate bias voltage Vb= 0 - 220 V and film thickness t = 500 - 5000 Å. An optimum bias voltage of Vb= - 100 V was obtained under our experimental conditions. The post annealed (930°C for 1 hr in O2 environment) films exhibit superconducting state with Tc (onset) of about 40 K for biased (on - axis), and 86 K for unbiased (off- axis) post annealed (800 ° C, 3 hr) films grown over both MgO(100) and LaAlO3 (100) substrates. According to our SEM analysis, Ag particles are uniformly distributed in the annealed films with average grain size of about 0.3 μm located mostly at the grain boundaries. PIXE compositional analysis of the deposited films indicates deficiency of Cu and Ba for unannealed and Cu rich concentration for the annealed YBCO - Ag films grown over unbiased LaAlO3 (100) substrate.

  3. Electronic and crystalline structures of zero band-gap LuPdBi thin films grown epitaxially on MgO(100)

    SciTech Connect

    Shan, Rong; Ouardi, Siham; Fecher, Gerhard H.; ViolBarbosa, Carlos E.; Felser, Claudia; Gao, Li; Kellock, Andrew; Roche, Kevin P.; Samant, Mahesh G.; Parkin, Stuart S. P.; Ikenaga, Eiji

    2013-04-29

    Thin films of the proposed topological insulator LuPdBi-a Heusler compound with the C1{sub b} structure-were prepared on Ta-Mo-buffered MgO(100) substrates by co-sputtering from PdBi{sub 2} and Lu targets. Epitaxial growth of LuPdBi films was confirmed by X-ray diffraction and reflection high-energy electron diffraction. The root-mean-square roughness of the films was as low as 1.45 nm, even though the films were deposited at high temperature. The film composition is close to the ideal stoichiometric ratio. The valence band spectra of the LuPdBi films, observed by hard X-ray photoelectron spectroscopy, correspond very well with the ab initio-calculated density of states.

  4. Growth of L10-ordered crystal in FePt and FePd thin films on MgO(001) substrate

    NASA Astrophysics Data System (ADS)

    Futamoto, Masaaki; Nakamura, Masahiro; Ohtake, Mitsuru; Inaba, Nobuyuki; Shimotsu, Teruho

    2016-08-01

    Formation of L10-oredered structure from disordered A1 phase has been investigated for FePt and FePd films on MgO(001) substrates employing a two-step method consisting of low temperature deposition at 200 °C followed by high-temperature annealing at 600 °C. L10-(001) variant crystal with the c-axis perpendicular to the substrate grows preferentially in FePd films whereas L10-(100), (010) variants tend to be mixed with the L10-(001) variant in FePt films. The structure analysis by X-ray diffraction indicates that a difference in A1 lattice strain is the influential factor that determines the resulting L10-variant structure in ordered thin films. Misfit dislocations and anti-phase boundaries are observed in high-resolution transmission electron micrographs of 10 nm-thick Fe(Pt, Pd) film consisting of L10-(001) variants which are formed through atomic diffusion at 600 °C in a laterally strained FePt/PeFd epitaxial thin film. Based on the experimental results, a nucleation and growth model for explaining L10-variant formation is proposed, which suggests a possibility in tailoring the L10 variant structure in ordered magnetic thin films by controlling the alloy composition, the layer structure, and the substrate material.

  5. Effects of non-magnetic phase and deposition temperature on magnetic properties of FePt-MgO granular thin films on single-crystal MgO substrate

    NASA Astrophysics Data System (ADS)

    Qiu, Z. G.; Zeng, D. C.; Zhao, L. Z.; Wang, J.; Yu, H. Y.; Liu, Z. W.; Liu, J. P.; Zhou, K. S.

    2016-11-01

    (FePt)100-x(MgO)x granular thin films were fabricated by using co-sputtering on single crystal MgO substrate at different deposition temperatures followed by a high-temperature annealing. The adding MgO was found to have the following effects: 1) high fraction of MgO phase (70 vol%) degraded the L10 phase transformation; 2) FePt grains embedded in MgO matrix were well separated, leading to minimized exchange interaction between the FePt grains; 3) 55 vol% fraction of MgO was optimal for the L10-FePt phase formation with highest coercivity, due to the formation of granular structure, which was also verified by comparing the structure and properties of FePt/MgO bilayer films. Deposition temperature has also effect on the magnetic properties of FePt-MgO films. Room temperature deposition did not result in the L10 phase even after annealing at 800 °C. However, the magnetic properties of the films deposited at 200 °C were better than those deposited at 300 °C. The low coercivity resulted from elevated deposition temperature was attributed to the thermal expansion and competitively growth among FePt and MgO grains. The results revealed that adding appropriate amount of MgO (55 vol%) can be achieved by finding a proper deposition temperature (200 °C), well-defined granular L10-FePt films with fine grain distribution, high coercivity and small domain size.

  6. Structure And Radiation Damage Behavior Of Epitaxial CrxMo1-x Alloy Thin Films On MgO

    SciTech Connect

    Wang, Chong M.; Kaspar, Tiffany C.; Shutthanandan, V.; Joly, Alan G.; Kovarik, Libor; Arey, Bruce W.; Gu, Meng; Devaraj, Arun; Wirth, Brian D.; Kurtz, Richard J.

    2013-06-01

    Phenomena related to the interaction of point defects and dopants with grain boundaries and interfaces have been very well documented. However, a quantitative understanding of such an interaction is still missing. In this paper we explore the correlation between radiation damage and interface structure. In doing so, CrxMo1-x(001) films of thickness ~100 nm were epitaxially grown on MgO (001) using molecular beam epitaxy. The interface dislocation density can be systematically varied by controlling the composition of the film. This system allows us to probe the response of the defects generated during the irradiation to the interface dislocation density. The microstructural features of these films before and after irradiation are carefully studied using high resolution scanning/transmission electron microscopy and electron diffraction. It has been found that the film/substrate system is very resistant to ion-induced irradiation damage. No visible point defect clusters, dislocation network or amorphization has been identified, which is contrasted with other materials of either metallic or ionic bonding. We conclude that the defects in the present system appear to be either sub-microscopic and highly dispersed or are annihilated during the irradiation process. Further detailed work is needed to identify the spatial distribution of the defects.

  7. Domain wall pinning on strain relaxation defects (stacking faults) in nanoscale FePd (001)/MgO thin films

    SciTech Connect

    Hsiao, C. H.; Ouyang, Chuenhou E-mail: houyang@mx.nthu.edu.tw; Yao, Y. D.; Lo, S. C.; Chang, H. W. E-mail: houyang@mx.nthu.edu.tw

    2015-10-05

    FePd (001) films, prepared by an electron beam deposition system on MgO(100), exhibit a perpendicular magnetic anisotropy (1.7 × 10{sup 7 }erg/cc) with a high order parameter (0.92). The relation between stacking faults induced by the strain relaxation, which act as strong domain wall pinning sites, and the perpendicular coercivity of (001) oriented L1{sub 0} FePd films prepared at different temperatures have been investigated. Perpendicular coercivity can be apparently enhanced by raising the stacking fault densities, which can be elevated by climbing dissociation of total dislocation. The increased stacking fault densities (1.22 nm{sup −2}) with large perpendicular coercivity (6000 Oe) are obtained for samples prepared at 650 °C. This present work shows through controlling stacking fault density in FePd film, the coercivity can be manipulated, which can be applied in future magnetic devices.

  8. The combined effect of thermal annealing of MgO substrate and Ca substitution on the surface resistance of YBa2Cu3Oz thin films

    NASA Astrophysics Data System (ADS)

    Murugesan, M.; Obara, H.; Yamasaki, H.

    2005-07-01

    Single-layer Y1-xCaxBa2Cu3Oz (YCBCO) thin films (x =0.00, 0.02, 0.05, and 0.10) grown on annealed as well as unannealed MgO substrates have been systematically investigated for their carrier concentration, critical current density Jc, and microwave surface resistance Rs. For x ⩽0.05, the grain growth follows a three-dimensional-spiral growth mechanism, while for x =0.10 we observed a mainly two-dimensional-like growth of grains. The results of Hall data reveal that the x =0.05 film is overdoped while films with x =0.02 and 0.10 are underdoped with respect to the x =0.00 film. However, the Hall mobility μH is highly enhanced for the x =0.02 film. Thermal annealing of MgO substrates prior to film deposition results to an improvement in the overall superconducting properties of the film such as suppression of normal-state resistivity, enhancement of Jc, and minimization of Rs both for pure as well as Ca-substituted films. Annealing of MgO substrates enhances the Jc value to a magnitude (i) nearly doubled for x =0.00 films and (ii) more than an order for x =0.02 films. Also it leads to a minimization of the Rs value to (i) more than half and (ii) nearly an order of magnitude higher, respectively, for x =0.00 and x =0.02 films. Furthermore, for the x =0.02 film, below 60K, we realized an enhanced Jc value in self- as well as in large-applied fields. For other than the Ca-2% substituted films, a suppression of Jc with a strong field dependency has been noticed. Furthermore, the Rs value of the x =0.02 film (0.1mΩ at 20K, 21.9GHz) was three times lower compared to that of the x =0.00 film (0.35mΩ at 20K, 21.9GHz). At 20K and 21.9GHz, the Rs value for the x =0.05 film is comparable to that of the x =0.00 film, whereas for the x =0.10 film it is twice that of x =0.00. The low normal-state resistivity, enhanced mobility, high Jc, and the minimized Rs observed for x =0.02 films firmly support the possible improvement of superconducting order parameters near the grain

  9. Structural and magnetic properties of ferrimagnetic ε-phase Mn4N and antiferromagnetic ζ-phase Mn10N thin films on MgO(001)

    NASA Astrophysics Data System (ADS)

    Foley, Andrew; Corbett, Joseph; Richard, Andrea L.; Alam, Khan; Ingram, David C.; Smith, Arthur R.

    2016-07-01

    Single phase ε-Mn4N and ζ-Mn10N thin films are grown on MgO(001) using molecular beam epitaxy. The films are identified and characterized using reflection high-energy electron diffraction, x-ray diffraction, back scattered electron scanning electron microscopy, atomic/magnetic force microscopy and Rutherford backscattering spectrometry. These films are found to be highly smooth with root-mean-squared roughnesses 3.39 nm and below. The quality of ε-Mn4N grown is strongly dependent on substrate temperature during growth. Epitaxial growth of substantial grains composed of the antiferromagnetic η-phase Mn3N2 side by side with ferrimagnetic ε-phase grains is observed when growth temperature is below 480 °C. Ising domains isolated within areas roughly 0.5 μm across are observed in the ferrimagnetic ε-phase grains of samples consisting of a mix of η- and ε-phase grains. Magnetic domains following semi-continuous paths, which are 0.7-7.2 μm across, are observed in single phase ε-Mn4N. Measurements of the ζ-phase detail the structure and magnetism of the material as high Mn content γ-type ζ-phase with a regular surface corrugation along the [100]-direction and antiferromagnetic.

  10. Magnetic and transport properties of epitaxial thin film MgFe2O4 grown on MgO (100) by molecular beam epitaxy

    PubMed Central

    Wu, Han-Chun; Mauit, Ozhet; Coileáin, Cormac Ó; Syrlybekov, Askar; Khalid, Abbas; Mouti, Anas; Abid, Mourad; Zhang, Hong-Zhou; Abid, Mohamed; Shvets, Igor V.

    2014-01-01

    Magnesium ferrite is a very important magnetic material due to its interesting magnetic and electrical properties and its chemical and thermal stability. Here we report on the magnetic and transport properties of epitaxial MgFe2O4 thin films grown on MgO (001) by molecular beam epitaxy. The structural properties and chemical composition of the MgFe2O4 films were characterized by X-Ray diffraction and X-Ray photoelectron spectroscopy, respectively. The nonsaturation of the magnetization in high magnetic fields observed for M (H) measurements and the linear negative magnetoresistance (MR) curves indicate the presence of anti-phase boundaries (APBs) in MgFe2O4. The presence of APBs was confirmed by transmission electron microscopy. Moreover, post annealing decreases the resistance and enhances the MR of the film, suggesting migration of the APBs. Our results may be valuable for the application of MgFe2O4 in spintronics. PMID:25388355

  11. Surface roughness of MgO thin film and its critical thickness for optimal biaxial texturing by ion-beam-assisted deposition

    SciTech Connect

    Miyata, S.; Ibi, A.; Izumi, T.; Shiohara, Y.

    2011-06-01

    We investigated the deposition time dependences of the in-plane grain alignment ({Delta}{phi}) and the surface roughness (w) of biaxially textured MgO thin films fabricated by ion-beam-assisted deposition (IBAD) and found a strong correlation between them. The time evolution of the surface roughness of IBAD-MgO showed an abrupt increase at the same time corresponding to the beginning of the deterioration in {Delta}{phi}. The roughness versus thickness profiles obtained under different deposition conditions with different assisting ion-beam currents collapsed to a single curve, even though the deposition rates were significantly different in each condition. This implies that the abrupt increase in roughness occurred at the same thickness--of about 4 nm--irrespective of the deposition rate. The result also indicated that the {Delta}{phi} deterioration began with the same thickness of about 4 nm. This ''critical'' thickness of about 4 nm might be related to the completion of the crystallization of the film. Further, deposition beyond the critical thickness, therefore, became merely a homoepitaxial deposition under the ''IBAD'' condition, which was far from optimal because of the ion bombardment and low temperature (no-heating), and thus {Delta}{phi} deteriorated. Based on these considerations, we propose an approach to attain a sharp texture in a IBAD-MgO-based biaxial substrate; moreover, we demonstrated this approach using a two-step deposition process.

  12. Room temperature ferromagnetic properties of epitaxial (111) Y0.225Sr0.775CoO3-δ thin film grown on single crystalline (111) MgO substrate

    NASA Astrophysics Data System (ADS)

    Seo, Jeongdae; Ahn, Yoonho; Yeog Son, Jong

    2015-08-01

    Epitaxial (111) Y0.225Sr0.775CoO3-δ (YSCO) thin films were deposited on single crystalline (111) MgO substrates by a pulsed laser deposition method. The YSCO thin film exhibited room temperature ferromagnetism with a remanent magnetization of 1.5×10-5 emu. The magnetic force microscopy (MFM) study revealed that the YSCO thin film had a mosaic MFM domain structure. The comparison of domain wall energy for the YSCO and PZT indicates that the large domain wall energy induce the large domain size, though the large magnetization value reduce the magnetic domain size in the case of Co. According to the optical conductivity analysis by spectroscopic ellipsometry, it is inferred that the transition from the intermediate spin state to the high spin state of the YSCO thin film is attributed to the ferromagnetism of the Co4+ ion.

  13. Magnetization behavior of L10-ordered FePt alloy thin films prepared on MgO(100), MgAl2O4(100), and KTaO3(100) single-crystal substrates

    NASA Astrophysics Data System (ADS)

    Iwama, Hiroki; Doi, Masaaki; Shima, Toshiyuki

    2016-07-01

    In order to investigate the effects of lattice mismatch between FePt thin films and single-crystal substrates on the tetragonality and magnetization process, FePt thin films were fabricated on several single-crystal substrates such as KTaO3 (KTO) (100), MgAl2O4 (MAO) (100), and MgO(100) at a substrate temperature of 700 °C. The Fe content of the FePt films was varied from 45.0 to 50.8 at. %. In addition to the fundamental (002) peak, the (001) and (003) superlattice peaks were clearly observed in the X-ray diffraction patterns of all the samples, indicating the formation of the L10-ordered structure. The magnetization measurements show that all the samples were perpendicularly magnetized. Coercivities (H c) of 57.8, 52.5, and 3.3 kOe were obtained for the films with Fe49.3Pt50.7 (at. %) deposited on the MgO, MAO, and KTO substrates. The marked reduction in H c is considered to arise from the morphology of FePt thin films.

  14. Study on single-domain growth of Y1.8Ba2.4Cu3.4Oy/Ag system by using Nd123/MgO thin film as seed

    NASA Astrophysics Data System (ADS)

    Cai, C.; Tachibana, K.; Fujimoto, H.

    2000-06-01

    Instead of NdBa2Cu3Oy (Nd123) bulk crystal, a (001) Nd123/MgO thin film is used as the seed to study single-domain growth in the isothermal solidification of the YBaCuO/Ag system. Various maximum processing temperatures (Tmax), down to 1000 °C, are used to fabricate the textured domain. The dependences of nucleation and single-domain growth on undercooling and Tmax are studied, respectively. For the lower Tmax processed sample, non-steady growth takes place after a time interval, which is attributed to random nucleation.

  15. In situ measurement of surface potential developed on MgO thin film surface under ion irradiation using ion scattering spectroscopy

    SciTech Connect

    Nagatomi, T.; Kuwayama, T.; Takai, Y.; Yoshino, K.; Morita, Y.; Kitagawa, M.; Nishitani, M.

    2009-11-15

    The application of ion scattering spectroscopy (ISS) to the in situ measurement of the surface potential developed on an insulator surface under positive ion irradiation was investigated. The ISS spectra measured for a MgO film of 600 nm thickness on a Si substrate by the irradiation of 950 eV He{sup +} ions revealed that the surface is positively charged by approximately 180 V. For accurate measurement of the surface potential, a correction to take into account the angular deflection of primary ions induced by the high surface potential is required. The dependence of the surface potential on the sample temperature revealed that no charging is induced above 700 deg. C, indicating that accumulated charges can be removed by heating to 700 deg. C. From the measurement of the ion-induced secondary electron yield using a collector electrode located in front of the sample surface, the surface potential and ion-induced secondary electron yield were found to be strongly affected by the experimental setup. Secondary electrons produced by the impact of slow positive secondary ions, the maximum energy of which corresponds to the surface potential, play an important role when the bias voltage applied to the collector electrode is positively high for the present experimental setup. The surface potential developed on the surface of MgO films of 600 and 200 nm thickness was measured in situ, revealing that the amount of accumulated charges and the time required to attain the steady state of charging are slightly dependent on the beam current of primary ions and strongly dependent on the thickness of the MgO film. The present results confirmed that the application of ISS has high potential for investigating charging phenomena and the secondary electron emission from insulator surfaces under positive ion irradiation.

  16. Enhancement of order degree and perpendicular magnetic anisotropy of L10 ordered Fe(Pt,Pd) alloy film by introducing a thin MgO cap-layer

    NASA Astrophysics Data System (ADS)

    Noguchi, Youhei; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi; Inaba, Nobuyuki

    2016-07-01

    Fe50PtxPd50-x (at%, x=0-50) alloy films of 10 nm thickness with and without 2-nm-thick MgO cap-layers are prepared on MgO(001) single-crystal substrates by employing a two-step method consisting of low-temperature deposition at 200 °C followed by high-temperature annealing at 600 °C. The influences of MgO cap-layer on the structure and the magnetic properties are investigated. Fe50PtxPd50-x films epitaxially grow on the substrates at 200 °C. The Fe50Pd50 and the Fe50Pt12.5Pd37.5 films are respectively composed of (001) single-crystals with disordered fcc-based (A1) and bcc-based (A2) structures. The films with x>25 consist of mixtures of A1 and A2 crystals. The volume ratio of A2 to A1 crystal decreases with increasing the x value from 25 to 50. The in-plane and out-of-plane lattices are respectively expanded and shrunk due to accommodation of lattice mismatch between film and substrate. When the films are annealed at 600 °C, phase transformation to L10 ordered phase takes place. L10 phase transformation of Fe50PtxPd50-x film is promoted for a sample with MgO cap-layer and the order degree is higher than that without cap-layer. Furthermore, L10 ordering with the c-axis perpendicular to the substrate surface is enhanced for the film with cap-layer. The cap-layer is considered to be giving a tension stress to the magnetic film in lateral direction which promotes L10 ordering with the c-axis perpendicular to the substrate. Deposition of cap-layer is shown effective in achieving higher order degree and in enhancing perpendicular magnetic anisotropy with Fe(Pt,Pd) films.

  17. Growth and characterization of thin Cu-phthalocyanine films on MgO(001) layer for organic light-emitting diodes.

    PubMed

    Bae, Yu Jeong; Lee, Nyun Jong; Kim, Tae Hee; Cho, Hyunduck; Lee, Changhee; Fleet, Luke; Hirohata, Atsufumi

    2012-11-26

    Surface morphology and thermal stability of Cu-phthalocyanine (CuPc) films grown on an epitaxially grown MgO(001) layer were investigated by using atomic force microscope and X-ray diffractometer. The (002) textured β phase of CuPc films were prepared at room temperature beyond the epitaxial MgO/Fe/MgO(001) buffer layer by the vacuum deposition technique. The CuPc structure remained stable even after post-annealing at 350°C for 1 h under vacuum, which is an important advantage of device fabrication. In order to improve the device performance, we investigated also current-voltage-luminescence characteristics for the new top-emitting organic light-emitting diodes with different thicknesses of CuPc layer.

  18. High photoelectron emission from Co-diffused MgO deposited using arc plasma gun

    NASA Astrophysics Data System (ADS)

    Yamamoto, Shin-ichi; Kosuga, Hiroki

    2015-08-01

    MgO has several advantageous characteristics and has been applied in various fields. In this study, we deposited Co nanoparticles in an island pattern on a Si substrate using an arc plasma gun (APG). We subsequently formed a MgO thin film on this substrate by metal-organic decomposition (MOD), which enables the formation of films in the atmosphere, thereby yielding a double-layer structure. The MgO thin film formed on Co nanoparticles deposited using the APG with 500 pulses of arc discharge exhibited improved crystallinity and photoelectron emission at least threefold higher than that of a MgO thin film formed directly without depositing Co nanoparticles. Although the transmittance of the specimen formed by depositing Co nanoparticles was initially 30% or lower, it increased to greater than 90% after the formation of the MgO thin film and the dispersion of the Co nanoparticles in the MgO thin film during heat treatment at 900 °C. Our results clarify that the characteristics of MgO thin films are markedly improved by depositing Co nanoparticles before forming the films. The results of Kelvin probe force microscopy (KPFM) indicate that the outermost surface of the Co material had become CoO (cobalt oxide) with the dispersion of Co nanoparticles in the MgO thin film. The lattice parameter of CoO nanoparticles (an-axis lattice parameter of 4.2615 Å) after heating matches well with that of MgO (4.2126 Å). The MgO thin films that grew in conjunction with the CoO nanoparticles were highly crystallized. We successfully established a high-performance, cost-effective bottom-up process that requires no ion injection by dispersing Co nanoparticles in a MgO thin film through heat treatment.

  19. The MBE growth and optical quality of BaTiO{sub 3} and SrTiO{sub 3} thin films on MgO

    SciTech Connect

    McKee, R.A.; Specht, E.D.; Alexander, K.B.; Walker, F.J.

    1994-05-01

    High quality epitaxial BaTiO{sub 3} and SrTiO{sub 3} have been grown on MgO; stabilized at a one unit cell height; and grown to film thicknesses of 0.5--0.7 {mu}m. These relatively thick films remain adherent when thermally cycled between growth temperatures and room temperature, are crack free with high optical quality, and have both in-plane and out-of-plane X-ray rocking curves of 0.3--0.5{degree}. These films have been grown using molecular beam epitaxy (MBE) methods starting with the TiO{sub 2} layer of the perovskite structure. The TiO{sub 2}-layer/MgO interface uniquely satisfies electrostatic requirements for perovskite heteroepitaxy and provides the template structure that leads to the high quality films that are obtained. Wavelength dependence of optical loss has been characterized between 475 nm and 705 nm with loss coefficients < l dB/cm being obtained at the He-Ne wavelength.

  20. L10 ordered phase formation in FePt, FePd, CoPt, and CoPd alloy thin films epitaxially grown on MgO(001) single-crystal substrates

    NASA Astrophysics Data System (ADS)

    Ohtake, Mitsuru; Ouchi, Shouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2012-04-01

    The FePt, FePd, CoPt, and CoPd epitaxial thin films are prepared on MgO(001) single-crystal substrates by ultrahigh vacuum RF magnetron sputtering. The effects of the magnetic material and the substrate temperature on the film growth, the film structure, and the magnetic properties are investigated. The L10 ordered phase formation is observed for FePt, FePd, and CoPt films prepared at temperatures higher than 200, 400, and 600 °C, respectively, whereas that is not recognized for CoPd films. The L10-FePd(001) single-crystal films with the c-axis normal to the substrate surface are formed, whereas the FePt and CoPt epitaxial films include L10(100) crystals whose c-axis is parallel to the substrate surface, in addition to the L10(001) crystals. Upon increasing the substrate temperature, the ordering degree increases. A higher ordering parameter is observed in the order of FePd > FePt > CoPt. The magnetic properties are influenced by the crystal structure, the crystallographic orientation of the L10 crystal, and the ordering degree.

  1. Aging of magnetic properties in MgO films

    SciTech Connect

    Balcells, Ll.; Konstantinovic, Z.; Martinez, B.; Beltran, J. I.; Martinez-Boubeta, C.; Arbiol, J.

    2010-12-20

    In this work we report on the magnetic behavior of MgO thin films prepared by sputtering. A severe aging process of the ferromagnetic properties is detected in magnetic samples exposed to ambient atmosphere. However, ferromagnetism can be successively switched on again by annealing samples in vacuum. We suggest this behavior reflects the key role played by defects in stabilizing ferromagnetism in MgO films and is likely to be closely related to the hydrogen-driven instability of V-type centers in this material.

  2. Effects of CrRu-SiO{sub x} underlayer with MgO intermediate layer on the microstructure and magnetic properties of FePt-C thin film

    SciTech Connect

    Li, H. H.; Hu, J. F.; Ju, G.; Chow, G. M.; Chen, J. S.

    2011-04-01

    The effect of the CrRu-SiO{sub x} underlayer with different doping concentrations and the thickness of the CrRu underlayer on the microstructure and magnetic properties of FePt-C films were investigated. FePt films exhibited L1{sub 0} (001) texture at various SiO{sub x} doping concentrations. The coercivities were as large as 28 kOe and the slope of M-H loop at coercivity was approximately equal to 1, suggesting that FePt grains were well exchange decoupled. Grain size was only slightly reduced after introducing the CrRu-SiO{sub x} underlayer. But the contact angle between the FePt grains and the MgO intermediate layer around 135 deg. indicated the a MgO intermediate layer was not favored for smaller grains to obtain good L1{sub 0} (001) texture. X-ray photoelectron spectroscopy in-depth profile showed that Si diffused into a whole FePt-C layer and C diffused to the film surface.

  3. Growth and ferroelectric properties of Pb(Zr 0.52Ti 0.48)O 3 thin films crystallized on MgO single-crystal substrates by hot isostatic pressing

    NASA Astrophysics Data System (ADS)

    Kobune, Masafumi; Nishioka, Yusuke; Inoue, Tomoaki; Yazawa, Tetsuo

    2005-02-01

    Pb(Zr 0.52Ti 0.48)O 3 films with highly uniform c-axis orientation were fabricated on PbTiO 3 (PT) /Pt(1 0 0)/MgO(1 0 0) substrates from the amorphous state by hot isostatic pressing (HIP). The seven PZT films HIP-treated by single- and multi-step annealing indicated almost preferential (0 0 1) orientation with the degree of the c-axis orientation, α=0.89-0.99. The PZT films treated according to a one-step (700 °C) annealing program had a good squareness of the hysteresis curves. The PZT capacitors with high initial pulse-derived switchable polarization ( Qsw) and a simple Pt/PZT/PT/Pt/MgO structure fabricated using an HIP technique a one-step (700 °C) annealing program can be expected as high endurance ferroelectric ones for FeRAM applications.

  4. High temperature and full-in-plane-direction workable high-frequency soft magnetic epitaxial FeSi thin films on MgO(0 0 1)

    NASA Astrophysics Data System (ADS)

    Guo, X. B.; Wu, K.; Cui, B. S.; Li, D.; Yun, J. J.; Zuo, Y. L.; Zuo, H. P.; Wang, T.; Xi, L.

    2016-02-01

    The epitaxial FeSi(0 0 1)[1 1 0]//MgO(0 0 1)[1 0 0] films were fabricated by sputtering and post annealing at 800 °C. A four-fold symmetric angular dependence of remanence ratios and coercivities of FeSi films were observed and well fitted by theoretical models considering the cubic anisotropy. The experimental ferromagnetic resonance frequency (f r) of epitaxial FeSi films reaches to 8.0 GHz, which is in agreement with the theoretical value derived from Landau-Lifshitz-Gilbert equation at room temperature. Moreover, the resonance phenomenon can be observed in any in-plane directions in contrast with the absence of resonance phenomenon in some specific directions for in-plane uniaxial soft magnetic Fe2Co films. Although the saturation magnetization, cubic anisotropy constant and f r all decrease with increasing temperature, f r still can keep as high as 3.2 GHz at 800 K, indicating that the epitaxial FeSi films with high Curie temperature have potential application in full angle workable microwave devices at relatively high temperature.

  5. Investigating and engineering spin-orbit torques in heavy metal/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/MgO thin film structures

    SciTech Connect

    Loong, Li Ming; Deorani, Praveen; Qiu, Xuepeng; Yang, Hyunsoo

    2015-07-13

    Current-induced spin-orbit torques (SOTs) have the potential to revolutionize magnetization switching technology. Here, we investigate SOT in a heavy metal (HM)/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} (CFAS)/MgO thin film structure with perpendicular magnetic anisotropy (PMA), where the HM is either Pt or Ta. Our results suggest that both the spin Hall effect and the Rashba effect contribute significantly to the effective fields in the Pt underlayer samples. Moreover, after taking the PMA energies into account, current-induced SOT-based switching studies of both the Pt and Ta underlayer samples suggest that the two HM underlayers yield comparable switching efficiency in the HM/CFAS/MgO material system.

  6. Fabrication and characteristics of Zn2+ doped MgO films prepared by sol-gel method

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoju; Li, Peng; Lin, Zulun; Qi, Kangcheng; Chen, Zexiang; Cao, Guichuan

    2012-10-01

    One of the effective methods to improve the luminous efficiency and reduce power consumption of plasma display panel (PDP) is searching for new high secondary emission discharging materials. In this paper, doped MgO films with different Zn2+ dopant concentration are made on indium tin oxides glass substrates by sol-gel method. The effect of annealing atmosphere on the visible light transmittance is discussed, which indicates that the films annealed in the nitrogen have higher transmittance than that in the air. The discharge characteristics of the fabricated Zn2+ doped MgO thin films are studied in a tube filled with Ne-Xe gas mixtures imitating the real structure of alternating current plasma display panel (AC PDP). When the Zn2+ ratio is 10 %, the firing voltage of doped MgO thin film in Ne-Xe 5 % at the pressure of 10 torr is 378 V, in contrast to the pure MgO film of 390 V. In addition, burr sparks are also observed at the beginning of the test. As time go on, the gas discharge is more stable. The results show that Zn2+ doped MgO thin film, due to its lower firing voltage, can be a promising discharge layer for highly efficient AC PDP.

  7. Effect of MgO spacer and annealing on interface and magnetic properties of ion beam sputtered NiFe/Mg/MgO/CoFe layer structures

    SciTech Connect

    Bhusan Singh, Braj; Chaudhary, Sujeet

    2012-09-15

    The effect of variation in the thickness of ion assisted ion beam sputtered MgO spacer layer deposited at oxygen ion assisted energy of 50 eV on the extent of magnetic coupling of NiFe and CoFe layers in Si/NiFe(10 nm)/Mg(1 nm)/MgO(2,4,6 nm)/CoFe(10 nm) sandwich structure is investigated. At MgO spacer layer thickness of 4 nm, the separate reversal of magnetizations of the two ferromagnetic layers is observed in the hystresis loop recorded along easy direction. This results in a 3.5 Oe wide plateau like region during magnetization reversal, which became 4.5 Oe at 6 nm thin MgO. At 2 nm thin MgO, the absence of plateau during magnetization reversal region revealed ferromagnetic coupling between the two ferromagnetic layers, which is understood to arise due to the growth of very thin and low density (1.22 gm/cc) MgO spacer layer, indicating the presence of pinholes as revealed by x-ray reflectometry. After vaccum annealing (200 Degree-Sign C/1 h), the plateau region for 4 and 6 nm thin MgO case decreased to 1.5 Oe and 2.0 Oe, respectively, due to enhanced interface roughness/mixing. In addition, an enhancement of the in-plane magnetic anisotropy is also observed.

  8. Surfactant assisted growth of MgO films on GaN

    SciTech Connect

    Paisley, Elisibeth A.; Shelton, T C; Mita, S; Gaddy, Brian E.; Irving, D L; Christen, Hans M; Sitar, Z; Biegalski, Michael D; Maria, Jon Paul

    2012-01-01

    Thin epitaxial films of <111> oriented MgO on [0001]-oriented GaN were grown by molecular beam epitaxy (MBE) and pulsed laser deposition (PLD) using the assistance of a vapor phase surfactant. In both cases, surfactant incorporation enabled layer-by-layer growth and a smooth terminal surface due to stabilizing the {111} rocksalt facet. MBE growth of MgO in water terminates after several monolayers, and is attributed to saturation of surface active sites needed to facilitate the Mg oxidation reaction. MgO films prepared by PLD grow continuously, this occurs due to the presence of excited oxidizing species in the laser plasma eliminate the need for catalytic surface sites. Metal-insulator-semiconductor capacitor structures were fabricated on n-type GaN. A comparison of leakage current density for conventional and surfactant-assisted growth reveals a nearly two order of magnitude reduction in leakage current density for the smoother surfactant-assisted samples. Collectively, these data verify numerous predictions and calculations regarding the role of H-termination in regulating the habit of MgO crystals.

  9. Resputtering effect during MgO buffer layer deposition by magnetron sputtering for superconducting coated conductors

    SciTech Connect

    Xiao, Shaozhu; Shi, Kai; Deng, Shutong; Han, Zhenghe; Feng, Feng Lu, Hongyuan; Qu, Timing; Zhu, Yuping; Huang, Rongxia

    2015-07-15

    In this study, MgO thin films were deposited by radio-frequency magnetron sputtering. The film thickness in the deposition area directly facing the target center obviously decreased compared with that in other areas. This reduction in thickness could be attributed to the resputtering effect resulting from bombardment by energetic particles mainly comprising oxygen atoms and negative oxygen ions. The influences of deposition position and sputtering pressure on the deposition rate were investigated. Resputtering altered the orientation of the MgO film from (111) to (001) when the film was deposited on a single crystal yttria-stabilized zirconia substrate. The density distribution of energetic particles was calculated on the basis of the measured thicknesses of the MgO films deposited at different positions. The divergence angle of the energetic particle flux was estimated to be approximately 15°. The energetic particle flux might be similar to the assisting ion flux in the ion beam assisted deposition process and could affect the orientation of the MgO film growth.

  10. Biaxial Texture Evolution in MgO Films Fabricated Using Ion Beam-Assisted Deposition

    NASA Astrophysics Data System (ADS)

    Xue, Yan; Zhang, Ya-Hui; Zhao, Rui-Peng; Zhang, Fei; Lu, Yu-Ming; Cai, Chuan-Bing; Xiong, Jie; Tao, Bo-Wan

    2016-07-01

    The growth of multifunctional thin films on flexible substrates is important technologically, because flexible electronics require such a platform. In this study, we examined the evolution of biaxial texture in MgO films prepared using ion beam-assisted deposition (IBAD) on a Hastelloy substrate. Texture and microstructure developments were characterized through in situ reflection high-energy electron diffraction monitoring, x-ray diffraction, and atomic force microscopy, which demonstrated that biaxial texture was developed during the nucleation stage (~2.2 nm). The best biaxial texture was obtained with a thickness of approximately 12 nm. As MgO continued to grow, the influence of surface energy was reduced, and film growth was driven by the attempt to minimize volume free-energy density. Thus the MgO grains were subsequently rotated at the (002) direction toward the ion beam. In addition, an approach was developed for accelerating in-plane texture evolution by pre-depositing an amorphous MgO layer before IBAD.

  11. Formation mechanism, degradation behavior, and cytocompatibility of a nanorod-shaped HA and pore-sealed MgO bilayer coating on magnesium.

    PubMed

    Li, Bo; Han, Yong; Qi, Kai

    2014-10-22

    A novel bilayer coating (HT24h) was fabricated on magnesium using microarc oxidation (MAO) and hydrothermal treatment (HT). The coating comprises an outer layer of narrow interrod spaced hydroxyapatite (HA) nanorods and an inner layer of MgO containing Mg(OH)2/HA-sealing-pores. The hydrothermal formation mechanism of HA nanorods on MAO-formed MgO was explored. Also, evolution of structure and bonding integrity of HT24h coating with immersion in physiological saline (PS) for 0-90 days, corrosion resistance and cytocompatibility of the coating were investigated, together with MgO containing Mg(OH)2-sealing-pores (HT2h) and porous MgO (MAO) coatings. Corrosion resistance was identified by three-point bending and electrochemical tests in PS, while cytocompatibility was determined by MTT, live/dead staining, and vinculin-actin-nucleus tricolor staining assays of hFOB1.19 cells. Immersion tests indicate that cracking rather than delamination is a common feature in most areas of the coatings up to day 90 and degradation is the reason for thinning in thickness of the coatings. MAO and HT2h coatings exhibit a significant thinning due to fast degradation of MgO. However, HT24h coating shows a quite small thinning, owing to the fact that the HA nanorods underwent quite slow degradation while the underlying MgO only underwent conversion to Mg(OH)2 without dissolution of the Mg(OH)2. Scratch tests reveal that HT24h coating still retains relatively high bonding integrity, although the failure position changes from the MgO interior to a point between the HA and MgO layers after 90 days of immersion. HT24h coating appears far more effective than MAO and HT2h coatings in reducing degradation and maintaining the mechanical integrity of Mg, as well as enhancing the mitochondrial activity, adhesion, and proliferation of osteoblasts.

  12. First stage of reaction of molten Al with MgO substrate

    SciTech Connect

    Morgiel, J.; Sobczak, N.; Pomorska, M.; Nowak, R.

    2015-05-15

    The Al/MgO couple was produced in vacuum (~ 5 × 10{sup −} {sup 4} Pa) by contact heating from RT up to 1000 °C and holding at that temperature for 1 h of a small 4 × 4 × 4 mm aluminium (5 N) sample placed on the [100] MgO single crystal substrate. TEM observations backed with electron diffraction analysis indicated that the interaction between liquid aluminium and MgO starts from a redox reaction producing a continuous layer of MgAl{sub 2}O{sub 4} spinel on the substrate surface. Its growth is controlled by solid state out-diffusion of magnesium and oxygen towards the surface being in contact with liquid metal. The thickening of spinel layer is accompanied by its cracking and infiltration with aluminium. The above process enables local dissolution of the MgO substrate and formation in it of a thin region of interpenetrating metallic channels walled with spinel. The removal of dissolved magnesium through open aluminium channels towards the drop and to vacuum locally produces areas of aluminium enriched with dissolved oxygen, which results in the nucleation of α-Al{sub 2}O{sub 3} at spinel clad walls. The growth of α-Al{sub 2}O{sub 3} is controlled only by the dissolution rate of MgO by aluminium, liquid state diffusion of Mg to drop/vacuum and oxygen to the front of the of α-Al{sub 2}O{sub 3} crystallites growing into MgO substrate. - Highlights: • New unique evidence of first stages of interaction of liquid Al with MgO substrates • Interaction of liquid Al with MgO starts with the formation of a layer MgAl{sub 2}O{sub 4}. • Growth of MgAl{sub 2}O{sub 4} is slow as controlled by solid state out-diffusion of Mg and O. • MgAl{sub 2}O{sub 4} serves as a nucleation site for Al{sub 2}O{sub 3} and consumed by it soon after. • Growth of Al{sub 2}O{sub 3} is fast as controlled by diffusion in liquid state.

  13. Growth and Properties of Self-Aligned MgO Nanowires

    NASA Astrophysics Data System (ADS)

    Cimpoiasu, Elena; Klie, Robert F.; Munden, Ryan A.; Reed, Mark A.

    2008-03-01

    A simple VLS route was used to produce self-aligned MgO nanowires on both polished crystalline (c-axis sapphire) and ceramic (alumina) surfaces. Growth on alumina produces vertically-aligned, very thin nanowires, indicating enhanced growth at the liquid-solid interface. Growth on polished sapphire results in faceted MgO nanowires which are perpendicular to the r-plane of sapphire and show evidence of competing vapor-solid growth mechanism. The difference in the morphology and structure of the nanowires grown using the two different substrates clearly illustrates the affect of substrate on the growth process. This work was partially supported by DARPA, by the Department of Homeland Security, and by the National Science Foundation.

  14. Origin of Perpendicular Magnetic Anisotropy and Large Orbital Moment in Fe Atoms on MgO.

    PubMed

    Baumann, S; Donati, F; Stepanow, S; Rusponi, S; Paul, W; Gangopadhyay, S; Rau, I G; Pacchioni, G E; Gragnaniello, L; Pivetta, M; Dreiser, J; Piamonteze, C; Lutz, C P; Macfarlane, R M; Jones, B A; Gambardella, P; Heinrich, A J; Brune, H

    2015-12-01

    We report on the magnetic properties of individual Fe atoms deposited on MgO(100) thin films probed by x-ray magnetic circular dichroism and scanning tunneling spectroscopy. We show that the Fe atoms have strong perpendicular magnetic anisotropy with a zero-field splitting of 14.0±0.3  meV/atom. This is a factor of 10 larger than the interface anisotropy of epitaxial Fe layers on MgO and the largest value reported for Fe atoms adsorbed on surfaces. The interplay between the ligand field at the O adsorption sites and spin-orbit coupling is analyzed by density functional theory and multiplet calculations, providing a comprehensive model of the magnetic properties of Fe atoms in a low-symmetry bonding environment.

  15. Process for growing a film epitaxially upon a MgO surface

    DOEpatents

    McKee, Rodney Allen; Walker, Frederick Joseph

    1997-01-01

    A process and structure wherein optical quality perovskites, such as BaTiO.sub.3 or SrTiO.sub.3, are grown upon a single crystal MgO substrate involves the epitaxial build up of alternating planes of TiO.sub.2 and metal oxide wherein the first plane grown upon the MgO substrate is a plane of TiO.sub.2. The layering sequence involved in the film build up reduces problems which would otherwise result from the interfacial electrostatics at the first atomic layers, and these oxides can be stabilized as commensurate thin films at a unit cell thickness or grown with high crystal quality to thicknesses of 0.5-0.7 .mu.m for optical device applications.

  16. Process for growing a film epitaxially upon a MGO surface and structures formed with the process

    DOEpatents

    McKee, Rodney Allen; Walker, Frederick Joseph

    1998-01-01

    A process and structure wherein optical quality perovskites, such as BaTiO.sub.3 or SrTiO.sub.3, are grown upon a single crystal MgO substrate involves the epitaxial build up of alternating planes of TiO.sub.2 and metal oxide wherein the first plane grown upon the MgO substrate is a plane of TiO.sub.2. The layering sequence involved in the film build up reduces problems which would otherwise result from the interfacial electrostatics at the first atomic layers, and these oxides can be stabilized as commensurate thin films at a unit cell thickness or grown with high crystal quality to thicknesses of 0.5-0.7 .mu.m for optical device applications.

  17. -MgO Melt by Super Gravity

    NASA Astrophysics Data System (ADS)

    Li, Juncheng; Guo, Zhancheng; Gao, Jintao; Li, Jingwei

    2014-08-01

    Perovskite phase was successfully separated from CaO-TiO2-SiO2-Al2O3-MgO melt by super gravity. Under the hypothesis that the titanium exists in the slag in terms of TiO2, with the gravity coefficient G = 600, time t = 5 minutes, and temperature T = 1563 K (1290 °C), the mass fraction of TiO2 in the concentrate is up to 52.94 pct, while that of the tailing is just 5.88 pct. The recovery ratio of Ti in the concentrate is up to 81.28 pct by centrifugal separation.

  18. Interstitial Fe in MgO

    NASA Astrophysics Data System (ADS)

    Mølholt, T. E.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Johnston, K.; Langouche, G.; Ólafsson, S.; Sielemann, R.; Weyer, G.

    2014-01-01

    Isolated 57Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of 57Mn decaying to 57Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

  19. Interstitial Fe in MgO

    SciTech Connect

    Mølholt, T. E. Gislason, H. P.; Ólafsson, S.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Weyer, G.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Johnston, K.; Sielemann, R.

    2014-01-14

    Isolated {sup 57}Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of {sup 57}Mn decaying to {sup 57}Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe{sup 2+} and Fe{sup 3+}, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

  20. Defect complexes in Li-doped MgO

    NASA Astrophysics Data System (ADS)

    Richter, N. A.; Stavale, F.; Levchenko, S. V.; Nilius, N.; Freund, H.-J.; Scheffler, M.

    2015-05-01

    Magnesium oxide (MgO) is used in a variety of industrial applications due to its low cost and structural stability. In heterogeneous catalysis, MgO and Li-doped MgO have been studied as catalysts for the oxidative coupling of methane. In this work, we analyze the structure and stability of defect complexes comprising Li dopants and oxygen vacancies in MgO, combining scanning tunneling microscopy, photon-emission experiments, and density-functional theory computations. The experimental results strongly indicate that after annealing Li-doped MgO to temperatures of 600 K and higher, Li evaporates from the surface, but Li defects, such as substitutional defects, interstitials, or defect complexes comprising Li remain in the bulk. Our calculations show that bulk defect complexes containing F2 + color centers, that have donated their two electrons to two adjacent Li defects, are the most stable configurations at realistic pressure and temperature conditions.

  1. Calcium adsorption on MgO(100): energetics, structure, and role of defects.

    PubMed

    Zhu, Junfa; Farmer, Jason A; Ruzycki, Nancy; Xu, Lijun; Campbell, Charles T; Henkelman, Graeme

    2008-02-20

    The adsorption of Ca on the MgO(100) surface at 300 K has been studied using microcalorimetry, in combination with LEED, AES, ISS, work function, sticking probability measurements, and density functional theory (DFT) calculations. The MgO(100) thin films (approximately 4 nm thick) were grown epitaxially on a 1 microm thick Mo(100) single-crystal. The sticking probability of Ca on MgO(100) at 300 K is unity. On the basis of AES and ISS measurements, it was determined that Ca grows mainly as 3D particles on the MgO(100) surface with a density of approximately 1 x 10(12) islands/cm2. Ca adsorbs initially at defect sites with a very high heat of adsorption (approximately 410 kJ/mol). DFT calculations attribute this high initial heat to Ca binding to kink sites (376 kJ/mol), step sites (205 kJ/mol), and lower concentrations of stronger binding sites. The heat of adsorption decreases rapidly with coverage, reaching a minimum of 162 kJ/mol at approximately 0.3 ML, where Ca is mainly adding to small 3D Ca clusters. Afterward, it increases to the value of bulk Ca heat of sublimation (178 kJ/mol) at approximately 1.2 ML, attributed to the increase in stability with increasing Ca particle size. A 1.0 eV decrease of the work function with Ca coverage from 0 to 0.3 ML indicates that Ca adsorbed at defects is cationic, in agreement with calculations showing that Ca donates electron density to the MgO. Light ion sputtering of the MgO(100) surface generates point defects, but these do not change the heat of adsorption versus coverage, implying that they do not nucleate Ca particles. Oxygen vacancies are a likely candidate; DFT calculations show that F and F+ center vacancies bind Ca more weakly than terrace sites. More extensive sputtering creates extended defects (such as steps and kinks) that adsorb Ca with heats of adsorption up to approximately 400 kJ/mol, similar to that at the intrinsic defect sites.

  2. Amorphisation of MgO single crystal specimens prepared by ion milling for transmission electron microscopy studies.

    PubMed

    Khan, M Y; Brown, L M; Chaudhri, M M

    1990-08-01

    Single crystal MgO specimens having low load Vickers indentations were thinned in an ion milling machine employing a single ion gun, and their characteristics were investigated with optical microscopy and high voltage electron microscopy (HVEM). It was found that the state of cleanliness of the specimen chamber of the ion milling machine had a very marked influence on the quality of the thinned specimens. If the specimen chamber was not well cleaned before ion milling a fresh specimen, the latter tended to show amorphisation due to the deposition on the specimen of the debris left in the chamber from the previously ion-milled specimens. Such observations were made from MgO specimens ion milled in several different types of commercial ion milling machine employing a single gun. It is proposed that to obtain good-quality ion milled TEM specimens, it is important to clean the specimen chamber thoroughly prior to milling.

  3. Porphyrin Metalation at MgO Surfaces: A Spectroscopic and Quantum Mechanical Study on Complementary Model Systems.

    PubMed

    Schneider, Johannes; Franke, Matthias; Gurrath, Martin; Röckert, Michael; Berger, Thomas; Bernardi, Johannes; Meyer, Bernd; Steinrück, Hans-Peter; Lytken, Ole; Diwald, Oliver

    2016-01-26

    We show that both single-crystalline and nanostructured MgO surfaces convert free-base tetraphenyl porphyrin (2HTPP) into magnesium tetraphenyl porphyrin (MgTPP) at room temperature. The reaction can be viewed as an ion exchange between the two aminic protons of the 2HTPP molecule with a Mg(2+) ion from the surface. The driving force for the reaction is the strong stability of the formed hydroxyl groups along the steps and at defects on the MgO surface. We have used an integrated characterization approach that includes UV/Vis diffuse reflectance measurements on nanostructured powders, X-ray photoelectron spectroscopic investigation of atomically clean MgO(100) single-crystalline thin films, and density functional theory (DFT) calculations on model systems. The DFT calculations demonstrate that MgTPP formation is strongly exothermic at the corners, edges and steps, but slightly endothermic on terrace sites. This agrees well with the UV/Vis diffuse reflectance, which upon adsorption of 2HTPP shows a decrease in the absorption band associated with corner and edge sites on MgO nanocube powders. PMID:26682774

  4. On Interpreting the Photoelectron Spectra of MgO

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Arnold, James (Technical Monitor)

    2001-01-01

    The (sup 2)Sigma(+) and (sup 2)Pi states of MgO(-) and the (sup 1)Sigma(+), (sup 1)Pi, and (sup 3)Pi states of MgO are studied using the averaged coupled-pair functional (ACPF) approach. The computed spectroscopic constants are in good agreement with the available experimental data. The computed Franck-Condon factors and photodetachment overlaps are compared with experiment.

  5. Wurtzite ZnO (001) films grown on cubic MgO (001) with bulk-like opto-electronic properties

    SciTech Connect

    Zhou Hua; Wang Huiqiong; Chen Xiaohang; Zhan Huahan; Kang Junyong; Wu Lijun; Zhu Yimei; Zhang Lihua; Kisslinger, Kim

    2011-10-03

    We report the growth of ZnO (001) wurtzite thin films with bulk-like opto-electronic properties on MgO (001) cubic substrates using plasma-assisted molecular beam epitaxy. In situ reflection high-energy electron diffraction patterns and ex situ high resolution transmission electron microscopy images indicate that the structure transition from the cubic MgO substrates to the hexagonal films involves 6 ZnO variants that have the same structure but different orientations. This work demonstrates the possibility of integrating wurtzite ZnO films and functional cubic substrates while maintaining their bulk-like properties.

  6. The role of the defect levels in MgO in the low firing voltage, wide driving voltage margin operation of an alternate current plasma display panel

    NASA Astrophysics Data System (ADS)

    Ha, Chang Hoon; Kim, Joong Kyun; Whang, Ki-Woong

    2007-06-01

    In order to study the relationship between the discharge characteristics of an ac plasma display panel and the surface conductivity of a MgO thin film, we measured the surface current across a ring-shaped MgO film temporally induced by exposure to monochromatic vacuum ultraviolet radiation from a synchrotron radiation source whose wavelength ranges from 60 to 240 nm (5.5-25 eV). The experimental results show that the surface current begins to increase rapidly at a photon energy of about 9 eV which might correspond to the valence band edge of MgO. The differences in the surface current level correlate well with the differences in the preparation method of the MgO films and their respective discharge characteristics, such as firing, minimum sustained voltages, address voltage margins, and address discharge delay times. Surface charge measurements using the linear electro-optic effect also show consistent correlations with the surface current measurement of each MgO sample.

  7. Soft x-ray appearance potential spectroscopy study of MgO (100) and α-Al{sub 2}O{sub 3} (100) single crystals

    SciTech Connect

    Fukuda, Yasuo Sanada, Noriaki; Mochizuki, Sachie; Yatsuzuka, Ikuko

    2013-11-15

    Soft x-ray appearance potential spectroscopy (SXAPS) measurements was used to measure on MgO (100) and α-Al{sub 2}O{sub 3} (100) single crystals. Mg 1s, Al 1s, and O 1s SXAPS self-deconvoluted (SD) spectra were obtained. The features of the Mg 1s and O1s SD spectra are in fair agreement with those of the near-edge x-ray absorption fine structure spectra for an MgO thin film (3 ML) on Ag (100). This suggests that the SXAPS spectra reflect electronic states of the relaxed MgO (100) surface. The features of the Al 1s and O 1s SD spectra are in qualitative agreement with those of the electron energy-loss spectroscopy. The SXAPS SD spectra are discussed in terms of antibonding states and partial density of empty states obtained by theoretical calculations for MgO and α-Al{sub 2}O{sub 3,} respectively. The present result suggests that the “approximate dipole selection rule” is applicable to the SXAPS spectra of MgO and α-Al{sub 2}O{sub 3}, as well as 3d transition metal oxides.

  8. Multifunctional MgO Layer in Perovskite Solar Cells.

    PubMed

    Guo, Xudong; Dong, Haopeng; Li, Wenzhe; Li, Nan; Wang, Liduo

    2015-06-01

    A multifunctional magnesium oxide (MgO) layer was successfully introduced into perovskite solar cells (PSCs) to enhance their performance. MgO was coated onto the surface of mesoporous TiO(2) by the decomposition of magnesium acetate and, therefore, could block contact between the perovskite and TiO(2). X-ray photoelectron spectroscopy and infrared spectroscopy showed that the amount of H(2)O/hydroxyl absorbed on the TiO(2) decreased after MgO modification. The UV/Vis absorption spectra of the perovskite with MgO modification revealed an enhanced photoelectric performance compared with that of unmodified perovskite after UV illumination. In addition to the photocurrent, the photovoltage and fill factor also showed an enhancement after modification, which resulted in an increase in the overall efficiency of the cell from 9.6 to 13.9 %. Electrochemical impedance spectroscopy (EIS) confirmed that MgO acts as an insulating layer to reduce charge recombination. PMID:25851999

  9. Multifunctional MgO Layer in Perovskite Solar Cells.

    PubMed

    Guo, Xudong; Dong, Haopeng; Li, Wenzhe; Li, Nan; Wang, Liduo

    2015-06-01

    A multifunctional magnesium oxide (MgO) layer was successfully introduced into perovskite solar cells (PSCs) to enhance their performance. MgO was coated onto the surface of mesoporous TiO(2) by the decomposition of magnesium acetate and, therefore, could block contact between the perovskite and TiO(2). X-ray photoelectron spectroscopy and infrared spectroscopy showed that the amount of H(2)O/hydroxyl absorbed on the TiO(2) decreased after MgO modification. The UV/Vis absorption spectra of the perovskite with MgO modification revealed an enhanced photoelectric performance compared with that of unmodified perovskite after UV illumination. In addition to the photocurrent, the photovoltage and fill factor also showed an enhancement after modification, which resulted in an increase in the overall efficiency of the cell from 9.6 to 13.9 %. Electrochemical impedance spectroscopy (EIS) confirmed that MgO acts as an insulating layer to reduce charge recombination.

  10. CVD synthesis of graphene nanoplates on MgO support

    NASA Astrophysics Data System (ADS)

    Jugade, Ravin M.; Sharma, Shalini; Gokhale, Suresh

    2014-06-01

    Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 °C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm-1, G-band at 1602 cm-1, and a small 2D-band at 2700 cm-1 in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.

  11. Surface segregation of Ba in MgO

    NASA Astrophysics Data System (ADS)

    Cotter, M.; Campbell, S.; Cao, L. L.; Egdell, R. G.; Mackrodt, W. C.

    1989-02-01

    Surface segregation of Ba in doped polycrystalline and single crystal MgO has been studied by XPS. There is little variation in surface coverage of Ba over a range of bulk doping levels from 7 to 7000 ppm in ceramic pellets equilibrated at 1630 K. This remarkable behaviour is shown to be consistent with surface coverage calculated from heats of segregation derived from ionic model simulations of the surface if due account is taken of the strong variation of the segregation energy with coverage. The coverage of Ba on a MgO(001) single crystal surface doped by indiffusion of Ba deposited onto the crystal from a getter source can be made similar to that of the polycrystalline material. The Ba-segregated MgO(001) surface exhibits a complex LEED pattern.

  12. Nano-meter bridge with epitaxially deposited NbN on MgO film

    SciTech Connect

    Yamashita, T.; Hamasaki, K.; Kodaira, Y.; Komata, T.

    1985-03-01

    Nano-meter(nm)-bridges with high-T /SUB c/ materials hold great technological interest because of their smaller capacitance and expected higher I /SUB o/ R /SUB n/ -product. They are promising especially for applications such as high speed logic and high frequency radiation detectors. Also they can operate over a wide temperature range and are stable against thermal cycles as are incorporating the refractory high-T /SUB c/ superconductors. One of the essential ingredient for high quality bridges is to have NbN films. Ultra-thin NbN films have been prepared by rf reactive-sputtering. NbN films deposited epitaxially on rf sputtered MgO films have high superconducting transition temperature T /SUB c/ . T /SUB c/ value of the film with thickness of about 5nm was about 14K, and is much higher than those deposited on Al/sub 2/O/sub 3/ films and Si substrates. Two types of nm-bridges were reproducibly fabricated with NbN films deposited epitaxially on MgO films. The obtained I /SUB o/ R /SUB n/ -products were in a range of 0.5 to 3.6mV. The microwaveinduced voltage steps were observed up to the voltage comparable to I /SUB o/ R /SUB n/ - product. The dc and ac quantum effects of the dc SQUIDS were observed in quite wide range of temperature, 4.2 to 11.4K.

  13. Fabrication of Single Crystal MgO Capsules

    NASA Technical Reports Server (NTRS)

    Danielson, Lisa

    2012-01-01

    A method has been developed for machining MgO crystal blocks into forms for containing metallic and silicate liquids at temperatures up to 2,400 C, and pressures up to at least 320 kilobars. Possible custom shapes include tubes, rods, insulators, capsules, and guides. Key differences in this innovative method include drilling along the crystallographic zone axes, use of a vibration minimizing material to secure the workpiece, and constant flushing of material swarf with a cooling medium/lubricant (water). A single crystal MgO block is cut into a section .5 mm thick, 1 cm on a side, using a low-speed saw with a 0.004 blade. The cut is made parallel to the direction of cleavage. The block may be cut to any thickness to achieve the desired length of the piece. To minimize drilling vibrations, the MgO block is mounted on a piece of adhesive putty in a vise. The putty wad cradles the bottom half of the entire block. Diamond coring tools are used to drill the MgO to the desired custom shape, with water used to wet and wash the surface of swarf. Compressed air may also be used to remove swarf during breaks in drilling. The MgO workpiece must be kept cool at all times with water. After all the swarf is rinsed off, the piece is left to dry overnight. If the workpiece is still attached to the base of the MgO block after drilling, it may be cut off by using a diamond cutoff wheel on a rotary hand tool or by using a low-speed saw.

  14. Magnetic characterization of CoFeB /MgO and CoFe /MgO interfaces

    NASA Astrophysics Data System (ADS)

    Negusse, Ezana; Lussier, A.; Dvorak, J.; Idzerda, Y. U.; Shinde, S. R.; Nagamine, Y.; Furukawa, S.; Tsunekawa, K.; Djayaprawira, D. D.

    2007-02-01

    The use of CoFeB ferromagnetic electrodes in place of CoFe has been shown to significantly increase the tunneling magnetoresistance (TMR) of MgO based magnetic tunnel junctions (MTJs). By using soft x-ray scattering techniques, we show that the behavior of the magnetic moments located at the CoFe-MgO interface are drastically different from the rest of the CoFe film, whereas the magnetic response of the CoFeB-MgO interfacial moments is coherent with the film's bulk. Our results support the view that the high TMR values observed in MgO based MTJs with CoFeB electrodes are due to the uniform magnetic response of the entire CoFeB electrode including the MgO interfacial moments.

  15. Noncontact atomic force and Kelvin probe force microscopy on MgO(100) and MgO(100)-supported Ba

    NASA Astrophysics Data System (ADS)

    Pang, Chi Lun; Sasahara, Akira; Onishi, Hiroshi

    2016-08-01

    Atomically-flat MgO(100) surfaces were prepared by sputtering and annealing. Noncontact atomic force microscopy (NC-AFM) and Kelvin probe force microscopy (KPFM) were used to characterize the MgO(100) surfaces. The NC-AFM images revealed the presence of point defects on an atomically-resolved surface. The surface potential at these point defects, as well as features such as step edges and deposited Ba nanoparticles were mapped using KPFM. The Kelvin images show that the surface potential increases at the point defects and at the step edges. On the other hand, a decrease in the potential was found over Ba nanoparticles which can be explained by electron charge transfer from the Ba to the MgO.

  16. Surfactant assisted growth of MgO films on GaN

    SciTech Connect

    Paisley, E. A.; Shelton, T. C.; Collazo, R.; Sitar, Z.; Maria, J.-P.; Christen, H. M.; Biegalski, M. D.; Mita, S.

    2012-08-27

    Thin epitaxial films of <111> oriented MgO on [0001]-oriented GaN were grown by molecular beam epitaxy and pulsed laser deposition using the assistance of a vapor phase surfactant. In both cases, surfactant incorporation enabled layer-by-layer growth and a smooth terminal surface by stabilizing the {l_brace}111{r_brace} rocksalt facet. Metal-insulator-semiconductor capacitor structures were fabricated on n-type GaN. A comparison of leakage current density for conventional and surfactant-assisted growth reveals a nearly 100 Multiplication-Sign reduction in leakage current density for the surfactant-assisted samples. These data verify numerous predictions regarding the role of H-termination in regulating the habit of rocksalt crystals.

  17. Strain-enhanced tunneling magnetoresistance in MgO magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Loong, Li Ming; Qiu, Xuepeng; Neo, Zhi Peng; Deorani, Praveen; Wu, Yang; Bhatia, Charanjit S.; Saeys, Mark; Yang, Hyunsoo

    2014-09-01

    While the effects of lattice mismatch-induced strain, mechanical strain, as well as the intrinsic strain of thin films are sometimes detrimental, resulting in mechanical deformation and failure, strain can also be usefully harnessed for applications such as data storage, transistors, solar cells, and strain gauges, among other things. Here, we demonstrate that quantum transport across magnetic tunnel junctions (MTJs) can be significantly affected by the introduction of controllable mechanical strain, achieving an enhancement factor of ~2 in the experimental tunneling magnetoresistance (TMR) ratio. We further correlate this strain-enhanced TMR with coherent spin tunneling through the MgO barrier. Moreover, the strain-enhanced TMR is analyzed using non-equilibrium Green's function (NEGF) quantum transport calculations. Our results help elucidate the TMR mechanism at the atomic level and can provide a new way to enhance, as well as tune, the quantum properties in nanoscale materials and devices.

  18. Lectin coated MgO nanoparticle: its toxicity, antileishmanial activity, and macrophage activation.

    PubMed

    Jebali, Ali; Hekmatimoghaddam, Seyedhossein; Kazemi, Bahram; Allaveisie, Azra; Masoudi, Alireza; Daliri, Karim; Sedighi, Najme; Ranjbari, Javad

    2014-10-01

    The purpose of this research was to evaluate toxicity of uncoated magnesium oxide nanoparticles (MgO NPs), MgO NPs coated with Peanut agglutinin (PNA) lectin, and PNA alone on the promastigotes of Leishmania major (L. major) and macrophages of BALB/c mice. On the other hand, antileishmanial property of uncoated MgO NPs, lectin coated MgO NPs, and PNA lectin alone was evaluated, and also macrophage activation was investigated after treatment with these materials by measurement of nitrite, H2O2, and some interleukins. This study showed that PNA lectin and lectin coated MgO NPs had approximately no toxicity on L. major and macrophages, but some toxic effects were observed for uncoated MgO NPs, especially at concentration of 500 µg/mL. Interestingly, lectin coated MgO NPs had the highest antileishmanial activity and macrophage activation, compared with uncoated MgO NPs and PNA lectin.

  19. High pressure phase diagram of MgO

    NASA Astrophysics Data System (ADS)

    French, Martin; Cebulla, Daniel; Redmer, Ronald

    2015-06-01

    In order to improve the understanding of the interior of super-Earths (planets in the range of 1-10 Earth masses) and other exoplanets, ab inito calculations for the planetary materials and the equation of state (EOS) and phase diagram of planetary materials are needed. A typical representative is MgO, which is an abundant material in the Earth's mantle and is also expected to be important for the mantle of exoplanets as well as for the rocky cores of gas giants such as Jupiter. Using ab initio molecular dynamic simulations, we have determined the phase diagram for MgO up to 20000 K and 1.5 TPa. In particular, the transition from the solid to the molten salt has been studied using diffusion analyses and pair distribution functions. The transition from the B1 to the B2 structure in solid MgO is determined by calculating the respective free enthalpies. The phase diagram of MgO is constructed based on accurate EOS data. We compare with results from (decaying) shock and ramp compression experiments and theoretical calculations for the B1-B2 and the liquid-solid transition line.

  20. 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.

  1. Carbon monoxide MgO from dispersed solids to single crystals: a review and new advances

    NASA Astrophysics Data System (ADS)

    Spoto, G.; Gribov, E. N.; Ricchiardi, G.; Damin, A.; Scarano, D.; Bordiga, S.; Lamberti, C.; Zecchina, A.

    2004-10-01

    In this review we describe 30 years of research on the surface properties of magnesium oxide, considered as the model prototype oxide of cubic structure. The surface properties of single crystals, thin films and powdered samples (sintered at progressive higher temperatures) are considered and compared, with the aim of demonstrating that the gap between “believed perfect” single crystal surfaces, typical of “pure” Surface Science, and high surface area samples, typical of Catalysis Science, can be progressively reduced. The surface features considered in this review are the structural (morphological), optical, absorptive and reactive properties. As the carbon monoxide molecule is able to probe the surface properties of both anions and cations, it can give a complete information of the surface structure of MgO samples. For this reason the adsorption and spectroscopy of this molecule is preferentially considered in this review. Particular emphasis is given in reviewing results obtained by high resolution transmission microscopy and in situ IR spectroscopy of adsorbed species (in both reflection and transmission modes), but also UV-Vis diffuse reflectance, photoluminescence, TDS, EPR, electron based techniques are mentioned. Reviewed experimental results are also commented in view of the important theoretical literature available on this topic and are complemented by new transmission IR data concerning CO adsorbed, down to 60 K, on powdered MgO samples with increasing surface area. These innovative experiments allow us to perform, on powdered samples, the adsorption experiments typical of single crystals (or films) Surface Science, with an increase of the S/N of the vibrational features higher than two order of magnitude. As far the new results (never published before) are concerned, we report IR spectra of CO dosed at 60 K on polycrystalline MgO samples with different surface area obtained by Mg(OH) 2 decomposition and progressive sintering at high temperature

  2. Recovery of SO2 and MgO from By-Products of MgO Wet Flue Gas Desulfurization.

    PubMed

    Yan, Liyun; Lu, Xiaofeng; Wang, Quanhai; Guo, Qiang

    2014-11-01

    An industrial demonstration unit using natural gas as a heat source was built to calcine the by-products of MgO wet flue gas desulfurization from power plants; influencing factors on the SO2 content in calciner gas were comprehensively analyzed; and an advantageous recycling condition of MgO and SO2 from by-products was summarized. Results showed that the SO2 content in the calciner gas was increased by more than 10 times under a lower excess air coefficient, a higher feed rate, a lower crystal water in by-products, and a higher feed port position. For the tests conducted under the excess air coefficient above and below one, the effect of the furnace temperature on the SO2 content in the calciner gas was reversed. Results of activity analysis indicate that particles of MgO generated under the calcination temperature of 900-1,000°C had a high activity. In contrast, due to the slight sintering, MgO generated under the calcination temperature of 1,100°C had a low activity. To recycle SO2 as well as MgO, a temperature range of 900-927°C for TE103 is proposed. These studies will prompt the desulfurization market diversification, reduce the sulfur's dependence on imports for making sulfuric acid, be meaningful to balance the usage of the natural resource in China, and be regarded as a reference for the development of this technology for other similar developing countries.

  3. Recovery of SO2 and MgO from By-Products of MgO Wet Flue Gas Desulfurization

    PubMed Central

    Yan, Liyun; Lu, Xiaofeng; Wang, Quanhai; Guo, Qiang

    2014-01-01

    Abstract An industrial demonstration unit using natural gas as a heat source was built to calcine the by-products of MgO wet flue gas desulfurization from power plants; influencing factors on the SO2 content in calciner gas were comprehensively analyzed; and an advantageous recycling condition of MgO and SO2 from by-products was summarized. Results showed that the SO2 content in the calciner gas was increased by more than 10 times under a lower excess air coefficient, a higher feed rate, a lower crystal water in by-products, and a higher feed port position. For the tests conducted under the excess air coefficient above and below one, the effect of the furnace temperature on the SO2 content in the calciner gas was reversed. Results of activity analysis indicate that particles of MgO generated under the calcination temperature of 900–1,000°C had a high activity. In contrast, due to the slight sintering, MgO generated under the calcination temperature of 1,100°C had a low activity. To recycle SO2 as well as MgO, a temperature range of 900–927°C for TE103 is proposed. These studies will prompt the desulfurization market diversification, reduce the sulfur's dependence on imports for making sulfuric acid, be meaningful to balance the usage of the natural resource in China, and be regarded as a reference for the development of this technology for other similar developing countries. PMID:25371652

  4. Interfacial effects on the tunneling magnetoresistance in L a0.7S r0.3Mn O3/MgO /Fe tunneling junctions

    NASA Astrophysics Data System (ADS)

    Galceran, R.; Balcells, Ll.; Martinez-Boubeta, C.; Bozzo, B.; Cisneros-Fernández, J.; de la Mata, M.; Magén, C.; Arbiol, J.; Tornos, J.; Cuellar, F. A.; Sefrioui, Z.; Cebollada, A.; Golmar, F.; Hueso, L. E.; Casanova, F.; Santamaría, J.; Martinez, B.

    2015-09-01

    We report on magnetotransport properties on L a0.7S r0.3Mn O3/MgO /Fe tunnel junctions grown epitaxially on top of (001)-oriented SrTi O3 substrates by sputtering. It is shown that the magnetoresistive response depends critically on the MgO /Fe interfacial properties. The appearance of an Fe OX layer by the interface destroys the Δ1 symmetry filtering effect of the MgO /Fe system and only a small negative tunneling magnetoresistance (TMR) (˜-3 %) is measured. However, in annealed samples a switchover from positive TMR (˜+25 % at 70 K) to negative TMR (˜-1 %) is observed around 120 K. This change is associated with the transition from semiconducting at high T to insulating at low T taking place at the Verwey transition (TV˜120 K ) in F e3O4, thus suggesting the formation of a very thin slab of magnetite at the MgO /Fe interface during annealing treatments. These results highlight the relevance of interfacial properties on the tunneling conduction process and how it can be substantially modified through appropriate interface engineering.

  5. MgO encapsulated mesoporous zeolite for the side chain alkylation of toluene with methanol.

    PubMed

    Jiang, Nanzhe; Jin, Hailian; Jeong, Eun-Young; Park, Sang-Eon

    2010-01-01

    Side chain alkylation of toluene with methanol was studied over mesoporous zeolite supported MgO catalysts. MgO were supported onto the carbon templated mesoporous silicalite-1 by direct synthesis route under microwave conditions. This direct synthesis route yields the majority of MgO highly dispersed into the mesopores of the silicalite-1 crystals. The vapor phase alkylation of toluene with methanol was performed over these catalysts under vapor phase conditions at atmospheric pressure. Mesoporous silicalite-1 supported MgO catalysts gave improved yields towards side chain alkylated products compared to the bulk MgO. The higher activity exhibited by 5% MgO supported on mesoporous silicalite compared to the one with 1% MgO can be attributed to the large number of weak basic sites observed from the CO2 TPD.

  6. Flexible MgO Barrier Magnetic Tunnel Junctions.

    PubMed

    Loong, Li Ming; Lee, Wonho; Qiu, Xuepeng; Yang, Ping; Kawai, Hiroyo; Saeys, Mark; Ahn, Jong-Hyun; Yang, Hyunsoo

    2016-07-01

    Flexible MgO barrier magnetic tunnel junction (MTJ) devices are fabricated using a transfer printing process. The flexible MTJ devices yield significantly enhanced tunneling magnetoresistance of ≈300% and improved abruptness of switching, as residual strain in the MTJ structure is released during the transfer process. This approach could be useful for flexible electronic systems that require high-performance memory components. PMID:27119207

  7. Phase Transitions of MgO Along the Hugoniot (Invited)

    NASA Astrophysics Data System (ADS)

    Root, S.; Shulenburger, L.; Lemke, R. W.; Cochrane, K. R.; Mattsson, T. R.

    2013-12-01

    The formation of terrestrial planets and planetary structure has become of great interest because of recent exoplanet discoveries of super earths. MgO is a major constituent of Earth's mantle, the rocky cores of gas giants such as Jupiter, and likely constitutes the interiors of many exoplanets. The high pressure - high temperature behavior of MgO directly affects equation of state models for planetary structure and formation. In this work, we examine single crystal MgO under shock compression utilizing experimental and density functional theory (DFT) methods to determine phase transformations along the Hugoniot. We perform plate impact experiments using Sandia's Z - facility on MgO up to 11.6 Mbar. The plate impact experiments generate highly accurate Hugoniot state data. The experimental results show the B1 - B2 solid - solid phase transition occurs near 4 Mbar on the Hugoniot. The solid - liquid transition is determined to be near 7 Mbar with a large region of B2-liquid coexistence. Using DFT methods, we also determine melt along the B1 and B2 solid phase boundaries as well as along the Hugoniot. The combined experimental and DFT results have determined the phase boundaries along the Hugoniot, which can be implemented into new planetary and EOS models. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Securities Administration under Contract No. DE-AC04-94AL85000.

  8. Grain boundary mobility in anion doped MgO

    NASA Technical Reports Server (NTRS)

    Kapadia, C. M.; Leipold, M. H.

    1973-01-01

    Certain anions OH(-), F(-) and Gl(-) are shown to enhance grain growth in MgO. The magnitude of their effect decreases in the order in which the anions are listed and depends on their location (solid-solution, second phase) in the MgO lattice. As most anions exhibit relatively high vapor pressures at sintering temperatures, they retard densification and invariably promote residual porosity. The role of anions on grain growth rates was studied in relation to their effect on pore mobility and pore removal; the atomic process controlling the actual rates was determined from observed kinetics in conjunction with the microstructural features. With respect to controlling mechanisms, the effects of all anions are not the same. OH(-) and F(-) control behavior through creation of a defect structure and a grain boundary liquid phase while Cl(-) promotes matter transport within pores by evaporation-condensation. Studies on an additional anion, S to the minus 2nd power gave results which were no different from undoped MgO, possibly because of evaporative losses during hot pressing. Hence, the effect of sulphur is negligible or undetermined.

  9. Optical properties of MgO irradiated by fast neutrons

    NASA Astrophysics Data System (ADS)

    Okada, M.; Seiyama, T.; Ichihara, C.; Nakagawa, M.

    1985-08-01

    Optical properties of color centers in MgO single crystals irradiated by fission neutrons (Kyoto University Reactor, KUR) and by 14 MeV neutrons (RTNS-II, at Lawrence Livermore National Laboratory, LLNL) have been investigated. The absorption spectra of MgO crystals irradiated by neutrons from the two different sources are similar; exhibited principal bands are 250 nm band consisting of F and F + bands, 352 (F 2 center), 570 and 975 (F 2 center) nm bands. In the samples irradiated by fission neutrons, the absorption intensity of the 570 nm band does not reach a maximum by neutron fluence through which the F and F 2 type bands reach a maximum. These phenomena are remarkable in the impurity-doped samples. A linear increase of the intensity of the 570 nm band with a dose of fast neutrons does not change with impurity contents, and exists in the extensive range examined of fast neutron dose (10 15-10 19 n/cm 2). This fact suggests that the crystalline MgO can be applied as a fluence monitor for fast neutrons with extensive energy.

  10. Ab initio study of early stage Nb growth on MgO(001)

    NASA Astrophysics Data System (ADS)

    Shim, Yunsic; Amar, Jacques G.

    2016-03-01

    Using density functional theory calculations we have examined the effects of cluster shape and a neutral O vacancy on the energetics and stability of Nb monomers and clusters on the MgO(001) surface. The relative stability of different monolayer structures is also examined. As found in other cases of metal adsorbates on MgO(001), our results indicate that an O site is the preferred adsorption site for a Nb atom. In addition, O-vacancy sites tend to increase the binding energy of small clusters and thus act as nucleation sites, while the effect of a nearby O vacancy on the binding energy of a Nb cluster is much weaker. In particular, we find that the binding energy for a Nb monomer at an O site (O-vacancy site) is 1.5 eV (2.2 eV) while the corresponding activation barriers for Nb monomer diffusion are 0.58 eV (0.80 eV). We also find that, in the absence of O vacancies, the preferred planar structure for tetramers and pentamers is an isotropic (100)-like structure. In contrast, the presence of an O vacancy transforms the isotropic tetramer into an anisotropic (110)-like structure. In addition, due to strain effects as well as strong Nb-Nb interactions, for large clusters (e.g. a complete monolayer) the anisotropic (110) structure is favored over the (100) structure. These results appear to explain recent experimental observations for the dependence of thin-film orientation on deposition conditions. However, we also find that for small (100)-like and (110)-like clusters, three-dimensional (rather than planar) structures are energetically preferred due to the strong Nb-Nb interaction. These results suggest that the pathway to form a coherent (100) or (110) structure during the growth of Nb films on Mg(001) may be relatively complex.

  11. Spectroscopic studies of refractory and dielectric thin films

    SciTech Connect

    Truong, C.M.

    1993-01-01

    This work demonstrated the application of the techniques and methodology of surface science to investigate the mechanisms of thin film deposition processes on solid surfaces. The synthesis of boron nitride (BN) thin films was studied using X-ray photoelectron spectroscopy (XPS) and thermal desorption spectroscopy (TDS). In this model system, diborane (B[sub 2]H[sub 6]), ammonia (NH[sub 3]) and hydrazine (N[sub 2]H[sub 4]) were used as precursors to deposit BN thin films on a clean Ru(0001) surface. The result showed that ammonia reaction with diborane yielded only boron-rich boron nitride overlayers. However, stoichiometric BN films in excess of one monolayer could be produced when hydrazine was substituted for ammonia. The effects of oxygen on boron-rich and stoichiometric boron-nitrogen films were also examined. In the second part of this work, high resolution electron energy loss spectroscopy (HREELS) was used to characterize defect centers in MgO and in lithium-doped MgO thin films. The HREELS results showed that MgO thin films grown on Mo(100) were nearly defect-free at temperatures up to 1100 K. HREELS measurements indicated that annealings to higher temperatures induced F-type defect centers in the MgO films. The formation of [Li[sup +]O[sup [minus

  12. Interface control by homoepitaxial growth in pulsed laser deposited iron chalcogenide thin films

    PubMed Central

    Molatta, Sebastian; Haindl, Silvia; Trommler, Sascha; Schulze, Michael; Wurmehl, Sabine; Hühne, Ruben

    2015-01-01

    Thin film growth of iron chalcogenides by pulsed laser deposition (PLD) is still a delicate issue in terms of simultaneous control of stoichiometry, texture, substrate/film interface properties, and superconducting properties. The high volatility of the constituents sharply limits optimal deposition temperatures to a narrow window and mainly challenges reproducibility for vacuum based methods. In this work we demonstrate the beneficial introduction of a semiconducting FeSe1−xTex seed layer for subsequent homoepitaxial growth of superconducting FeSe1−xTex thin film on MgO substrates. MgO is one of the most favorable substrates used in superconducting thin film applications, but the controlled growth of iron chalcogenide thin films on MgO has not yet been optimized and is the least understood. The large mismatch between the lattice constants of MgO and FeSe1−xTex of about 11% results in thin films with a mixed texture, that prevents further accurate investigations of a correlation between structural and electrical properties of FeSe1−xTex. Here we present an effective way to significantly improve epitaxial growth of superconducting FeSe1−xTex thin films with reproducible high critical temperatures (≥17 K) at reduced deposition temperatures (200 °C–320 °C) on MgO using PLD. This offers a broad scope of various applications. PMID:26548645

  13. Interface control by homoepitaxial growth in pulsed laser deposited iron chalcogenide thin films

    NASA Astrophysics Data System (ADS)

    Molatta, Sebastian; Haindl, Silvia; Trommler, Sascha; Schulze, Michael; Wurmehl, Sabine; Hühne, Ruben

    2015-11-01

    Thin film growth of iron chalcogenides by pulsed laser deposition (PLD) is still a delicate issue in terms of simultaneous control of stoichiometry, texture, substrate/film interface properties, and superconducting properties. The high volatility of the constituents sharply limits optimal deposition temperatures to a narrow window and mainly challenges reproducibility for vacuum based methods. In this work we demonstrate the beneficial introduction of a semiconducting FeSe1-xTex seed layer for subsequent homoepitaxial growth of superconducting FeSe1-xTex thin film on MgO substrates. MgO is one of the most favorable substrates used in superconducting thin film applications, but the controlled growth of iron chalcogenide thin films on MgO has not yet been optimized and is the least understood. The large mismatch between the lattice constants of MgO and FeSe1-xTex of about 11% results in thin films with a mixed texture, that prevents further accurate investigations of a correlation between structural and electrical properties of FeSe1-xTex. Here we present an effective way to significantly improve epitaxial growth of superconducting FeSe1-xTex thin films with reproducible high critical temperatures (≥17 K) at reduced deposition temperatures (200 °C-320 °C) on MgO using PLD. This offers a broad scope of various applications.

  14. Ab initio simulations of MgO under extreme conditions

    NASA Astrophysics Data System (ADS)

    Cebulla, Daniel; Redmer, Ronald

    2014-04-01

    We determined the phase diagram of magnesium oxide with finite-temperature density functional theory molecular dynamics simulations up to temperatures and pressures as relevant for the deep interior of super-Earths and in rocky cores of giant planets such as Jupiter. The equation of state data, the Hugoniot, and a ramp compression curve are computed and compared to earlier results from diamond anvil cell and (decaying) shock wave experiments. In addition, the dynamical electrical conductivity and the reflectivity along the experimental Hugoniot curve are calculated in order to characterize electronic structure changes under compression. The structural properties of MgO are identified using pair correlation functions and self-diffusion coefficients. The solid-solid coexistence line is calculated by comparing the free enthalpies of the B1 and the B2 phase. The free energy of the solid phases is determined via thermodynamic relations using the ab initio simulation results and phonon calculations in the harmonic approximation. Our results indicate that the solid B2 phase of MgO does not occur in the interior of the Earth but may play an important role in super-Earths and in rocky planetary cores.

  15. Ultrathin hexagonal MgO nanoflakes coated medical textiles and their enhanced antibacterial activity

    NASA Astrophysics Data System (ADS)

    Veeran Ponnuvelu, Dinesh; Selvaraj, Aravind; Prema Suriyaraj, Shanmugam; Selvakumar, Rajendran; Pulithadathail, Biji

    2016-10-01

    A facile hydrothermal method for development of ultrathin MgO nanoplates from different precursors and their enhanced antibacterial activity after coating onto medical textiles is reported. Ultrathin MgO nanoplates having hexagonal structure were characterized using UV–visible spectroscopy, atomic force microscopy, field emission scanning electron microscopy, x-ray diffraction and high resolution transmission electron microscopy. The formation of MgO nanoplates was found to exhibit profound anionic effect leading to ultrathin, planar structures with exposed MgO [111] facets, which may be responsible for enhanced antimicrobial activity. Medical fabrics (bleached 100% cotton) were coated with MgO nanoplates using pad-dry-cure method. The antibacterial activity of these fabrics was tested against Bacillus subtilis and Escherichia coli. The MgO nanoplates coated onto the fabric were found to have good adherence properties owing to their two-dimensional structure and were durable even after repeated washings without substantial reduction in the antimicrobial activity. The enhanced antibacterial activity may be attributed to the presence of oxygen vacancies, surface oxygen anions and hydroxyl groups on the surface of MgO nanoplates. This cost-effective functional finish (anti-microbial) to cotton fabric using MgO nanoplates may be suitable for many prospective medical applications and can serve as an alternative to the costlier silver based antimicrobial textiles.

  16. Epitaxial growth of tungsten layers on MgO(001)

    SciTech Connect

    Zheng, Pengyuan; Ozsdolay, Brian D.; Gall, Daniel

    2015-11-15

    Smooth single crystal W(001) layers were grown on MgO(001) substrates by magnetron sputtering at 900 °C. X-ray diffraction ω–2θ scans, ω-rocking curves, pole figures, and reciprocal space maps indicate a 45°-rotated epitaxial relationship: (001){sub W}‖(001){sub MgO} and [010]{sub W}‖[110]{sub MgO}, and a relaxed lattice constant of 3.167 ± 0.001 nm. A residual in-plane biaxial compressive strain is primarily attributed to differential thermal contraction after growth and decreases from −0.012 ± 0.001 to −0.001 ± 0.001 with increasing layer thickness d = 4.8–390 nm, suggesting relaxation during cooling by misfit dislocation growth through threading dislocation glide. The in-plane x-ray coherence length increases from 3.4 to 33.6 nm for d = 4.8–390 nm, while the out-of-plane x-ray coherence length is identical to the layer thickness for d ≤ 20 nm, but is smaller than d for d ≥ 49.7 nm, indicating local strain variations along the film growth direction. X-ray reflectivity analyses indicate that the root-mean-square surface roughness increases from 0.50 ± 0.05 to 0.95 ± 0.05 nm for d = 4.8–19.9 nm, suggesting a roughness exponent of 0.38, but remains relatively constant for d > 20 nm with a roughness of 1.00 ± 0.05 nm at d = 47.9 nm.

  17. Nucleation and growth of MgO atomic layer deposition: A real-time spectroscopic ellipsometry study

    SciTech Connect

    Wang, Han; Fu, Kan

    2013-11-15

    The atomic layer deposition (ALD) of MgO thin films from bis(cyclopentadienyl) magnesium and H{sub 2}O was studied using in-situ real-time spectroscopic ellipsometry (SE), ex-situ x-ray photoelectron spectroscopy, and grazing-incidence x-ray diffraction. It is found that the initial growth is not linear during the first ten cycles, and magnesium silicate forms spontaneously on the SiO{sub 2}/Si substrates at 250 °C. Submonolayer sensitivity of SE is demonstrated by the analysis of each half-cycle and self-limiting adsorption, revealing characteristic features of hetero- and homo-MgO ALD processes.

  18. Reactive growth of MgO overlayers on Fe(0 0 1) surfaces studied by low-energy electron diffraction and atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Tekiel, Antoni; Fostner, Shawn; Topple, Jessica; Miyahara, Yoichi; Grütter, Peter

    2013-05-01

    Ultra-thin MgO films grown reactively on the Fe(0 0 1) surface by evaporation of magnesium in an atmosphere of molecular oxygen have been investigated by low energy electron diffraction and non-contact atomic force microscopy. Preparation of structurally stable crystalline films requires a protocol that prevents an excessive interfacial reaction between oxygen and the Fe(0 0 1) surface, but at the same time provides a sufficient amount of oxygen in order to grow a stoichiometric MgO film. The proper ratio between the magnesium deposition rate and the oxygen pressure has been determined, as well as measures to prevent initial interfacial oxidation of the substrate. The effect of both post-annealing and an increased substrate temperature during the growth has been studied. We demonstrate that the reactive deposition method, which gives full control over the gaseous species that reach the surface, can produce terraces that have an average size of 10 nm (on an 8 monolayer thick film), which is a significant improvement compared to other preparation methods, such as thermal or electron beam evaporation of MgO.

  19. Comparison of crystalline and superconducting properties of sputtered a-axis oriented YBCO films on MgO and SrTiO 3 substrates

    NASA Astrophysics Data System (ADS)

    Mahajan, S.; Wen, J. G.; Ito, W.; Cho, C. H.; Takenaka, T.; Kubota, N.; Yoshida, Y.; Morishita, T.

    1994-05-01

    The crystalline and superconducting properties of sputtered a-axis oriented thin films of Y 1Ba 2Cu 3O 7- x on SrTiO 3(100) and MgO (100) substrates are compared using X-ray diffraction (XRD), high-resolution electron microscopy (HREM), atomic force microscopy, critical current ( Jc) and surface resistance ( Rs) measurements. A two step self-template method was used for deposition, and HREM measurements revealed that the bulk film beyond the template was pure a-axis oriented on SrTiO 3 and also on lattice-mismatched MgO. However, the nature of the template layer on the two substrates was completely different and the crystallinity of the film was found to be dependent on the crystallinity of the template. The Jc and Rs measurements indicated that the superconducting properties of the film on MgO owing to its poor crystallinity, were dominated by weak links in contrast to well-coupled grains for the film on SrTiO 3.

  20. Diffusion of aluminium in MgO from first principles

    NASA Astrophysics Data System (ADS)

    Ammann, M. W.; Brodholt, J. P.; Dobson, D. P.

    2012-06-01

    We have calculated the diffusivity of aluminium in periclase, MgO, under pressures relevant to deep planetary interiors from first principles. We reconcile differences between experimental migration enthalpies and those obtained with previous theoretical studies by finding a lower energy saddle point for the aluminium atom migration. Previous studies did not recognise a bifurcation at the saddle point. We also explain differences between experimental and theoretical binding enthalpies of an aluminium with a magnesium vacancy. We find that binding enthalpies continuously increase with decreasing aluminium concentrations, such that the difference between experimental and theoretical binding energies can be attributed to differing concentrations. We also find that binding energies increase with pressure as the permittivity decreases. Aluminium therefore not only causes extrinsic vacancy formation but also binds some of them, effectively removing them for magnesium diffusion. We discuss the implications for how other 3+ ions affect diffusion in oxides and silicates.

  1. A Redetermination of the Dissociation Energy of MgO(+)

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

    1994-01-01

    In 1986, we reported a dissociation energy (D(sub 0) of 2.31 eV for the X(sup 2)Pi ground state of MgO(+). This value was determined by computing the dissociation energy to the Mg(2+) + O(-) limit and adjusting the value to the Mg(+) + O limit using the experimental Ionization Potential (IP) of Mg(+) and the Electron Affinity (EA) of O. The success of this method relies on the assumption that there is little covalent contribution to the bonding. The very small (0.04 eV) correlation contribution to the binding energy was taken as corroboration for the validity of this approach. Our earlier theoretical value was estimated to be accurate to at least 0.2 eV. It is in excellent agreement with the subsequent value of 2.30 +/- 0.13 eV determined by Freiser and co-workers from photodissociation experiments. It is also consistent with the upper (less than 3.1 eV) and lower (greater than 1.1 eV) bounds determined by Rowe obtained by studying the reactions of Mg(+) with 03 and NO2. However, it is inconsistent with an upper bound of 1.7 eV reported by Kappes and Staley based on their failure to observe MgO(+) in the reaction of Mg(+) with N2O. The picture became somewhat clouded, however, by the recent guided-ion beam mass spectrometric studies of Dalleska and Armentrout. Their initial analysis of the reaction data for Mg(+) + O2 lead to a bond dissociation energy of 2.92 +/- 0.25 eV, which is considerably larger than the value of 2.47 +/- 0.06 eV deduced from their studies of the Mg(+)+NO2 reaction.

  2. Epitaxial EuO thin films on GaAs

    SciTech Connect

    Swartz, A. G.; Ciraldo, J.; Wong, J. J. I.; Li Yan; Han Wei; Lin Tao; Shi, J.; Kawakami, R. K.; Mack, S.; Awschalom, D. D.

    2010-09-13

    We demonstrate the epitaxial growth of EuO on GaAs by reactive molecular beam epitaxy. Thin films are grown in an adsorption-controlled regime with the aid of an MgO diffusion barrier. Despite the large lattice mismatch, it is shown that EuO grows well on MgO(001) with excellent magnetic properties. Epitaxy on GaAs is cube-on-cube and longitudinal magneto-optic Kerr effect measurements demonstrate a large Kerr rotation of 0.57 deg., a significant remanent magnetization, and a Curie temperature of 69 K.

  3. MOCVD growth and structure of PbTiO{sub 3} thin films

    SciTech Connect

    Gao, Y.; Bai, G.; Merkle, K.L.; Chang, H.L.M.; Lam, D.J.

    1993-08-01

    PbTiO{sub 3} thin films grown on (001)MgO and (110)MgO by MOCVD have been characterized by x-ray diffraction and transmission electron microscopy. The PbTiO{sub 3} films deposited on (001)MgO under the optimum conditions always show a bi-layer structure. The top layer of the films near the free surface is c-axis oriented with the orientation relationship (001)[100]PbTiO{sub 3}{parallel}(001)[100]MgO. The bottom layer of the films near the substrate is a-axis oriented with (100)[001]PbTiO{sub 3}{parallel}(001)[100]MgO. 90{degrees} domains were observed, but only in the c-axis oriented layers. The thickness of the a-axis oriented layers near the substrate decreases with decreasing the cooling rate. PbTiO{sub 3} films deposited on (110) MgO, however, are single-layer, epitaxial films with (101)[001]PbTiO{sub 3}{parallel}(110)[001]MgO.

  4. Characterization of MgO powders for use in thermal batteries

    SciTech Connect

    Guidotti, R.A.; Reinhardt, W.

    1996-09-01

    Ten commercial MgO powders were evaluated for their suitability to act as a binder in the separator of thermal batteries to immobilize the electrolyte when it is molten. One brand in particular, Maglite S from Calgon, outperformed all the others. This report describes the results of a characterization study of this MgO as well as similar materials from other commercial vendors. The study objective was to define the critical properties of Maglite S MgO that are responsible for its superior performance in thermal-battery separators. Separator mixes were prepared with the various MgO powders and the resulting powders and pellets were characterized, to correlate key physical properties of these materials to select physical and chemical properties of the MgO powders used in their preparation. The MgO pore-size distribution was the only parameter that could be related to the deformation and electrolyte-leakage behavior of separator pellets. A potential replacement for the Maglite S is currently being qualified, since Maglite S MgO is no longer available.

  5. Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO

    SciTech Connect

    Myrach, Philipp; Niklas, Nilius; Levchenko, Sergey; Gonchar, Anastasia; Risse, Thomas; Klaus-Peter, Dinse; Boatner, Lynn A; Frandsen, Wiebke; Horn, Raimund; Hans-Joachim, Freund; Schlçgl, Robert; Scheffler, Matthias

    2010-01-01

    Li-doped MgO is a potential catalyst for the oxidative coupling of methane, whereby surface Li+ O centers are suggested to be the chemically active species. To elucidate the role of Li in the MgO matrix, two model systems are prepared and their morphological, optical and magnetic properties as a function of Li doping are investigated. The first is an MgO film deposited on Mo(001) and doped with various amounts of Li, whereas the second is a powder sample fabricated by calcination of Li and Mg precursors in an oxygen atmosphere. Scanning tunneling and transmission electron microscopy are performed to characterize the morphology of both samples. At temperatures above 700 K, Li starts segregating towards the surface and forms irregular Li-rich oxide patches. Above 1050 K, Li desorbs from the MgO surface, leaving behind a characteristic defect pattern. Traces of Li also dissolve into the MgO, as concluded from a distinct optical signature that is absent in the pristine oxide. No electron paramagnetic resonance signal that would be compatible with Li+O centers is detected in the two Li/ MgO samples. Density-functional theory calculations are used to determine the thermodynamic stability of various Li-induced defects in the MgO. The calculations clarify the driving forces for Li segregation towards the MgO surface, but also rationalize the absence of Li+O centers. From the combination of experimental and theoretical results, a detailed picture arises on the role of Li for the MgO properties, which can be used as a starting point to analyze the chemical behavior of the doped oxide in future.

  6. Mesoporous MgO: Synthesis, physico-chemical, and catalytic properties

    NASA Astrophysics Data System (ADS)

    Maerle, A. A.; Kasyanov, I. A.; Moskovskaya, I. F.; Romanovsky, B. V.

    2016-06-01

    Mesoporous MgO was obtained via the hydrothermal synthesis using both ionogenic and non-ionogenic surfactants as structure-directing templates. The materials prepared were characterized by SEM, BET-N2, XRD, and TG-DTA techniques. MgO particles are spherical 20-μm aggregates of primary oxide particles well shaped as rectangular parallelepipeds. Magnesium oxide samples have the specific surface area of 290-400 m2/g and pore sizes of 3.3-4.1 nm. Their mesoporous structure remained unchanged after calcination up to 350°C. Catalytic activity of mesoporous MgO was studied in acetone condensation reaction.

  7. Evidence of martensitic phase transitions in magnetic Ni-Mn-In thin films

    SciTech Connect

    Sokolov, A.; Zhang, Le; Dubenko, I.; Samanta, T.; Ali, N.; Stadler, S.

    2013-02-18

    Ni{sub 50}Mn{sub 35}In{sub 15} Heusler alloy thin films (with thicknesses of about 10 nm) have been grown on single crystal MgO and SrTiO{sub 3} (STO) (100) substrates using a laser-assisted molecular beam epitaxy method. Films of mixed austenitic and martensitic phases and of pure martensitic phase have been detected for those grown on MgO and STO substrates, respectively. Thermomagnetic curves were measured using a SQUID magnetometer and are consistent with those of off-stoichiometric In-based bulk Heusler alloys, including a martensitic transition at T = 315 K for films grown on MgO. The differences in the properties of the films grown on MgO and STO are discussed.

  8. Static and dynamic magnetic properties of epitaxial Co2FeAl Heusler alloy thin films

    NASA Astrophysics Data System (ADS)

    Ortiz, G.; Gabor, M. S.; Petrisor, T., Jr.; Boust, F.; Issac, F.; Tiusan, C.; Hehn, M.; Bobo, J. F.

    2011-04-01

    Structural and magnetic properties of epitaxial Co2FeAl Heusler alloy thin films were investigated. Films were deposited on single crystal MgO (001XS) substrates at room temperature, followed by an annealing process at 600 °C. MgO and Cr buffer layers were introduced in order to enhance crystalline quality, and improve magnetic properties. Structural analyses indicate that samples have grown in the B2 ordered epitaxial structure. VSM measures show that the MgO buffered sample displays a magnetization saturation of 1010 ± 30 emu/cm3, and Cr buffered sample displays a magnetization saturation of 1032 ± 40 emu/cm3. Damping factor was studied by strip-line ferromagnetic resonance measures. We observed a maximum value for the MgO buffered sample of about 8.5 × 10-3, and a minimum value of 3.8 × 10-3 for the Cr buffered one.

  9. Effects of film composition and substrate orientation on the structure and the magnetic properties of Fe-Co-B alloy films formed on MgO single-crystal substrates

    NASA Astrophysics Data System (ADS)

    Asai, Yugo; Ohtake, Mitsuru; Kawai, Tetsuroh; Futamoto, Masaaki

    2013-08-01

    (Fe0.7Co0.3)100- x B x alloy thin films are prepared on MgO single-crystal substrates with (100), (110), and (111) orientations at 200C by ultra-high vacuum radio-frequency magnetron sputtering with various B compositions, x, from 0 to 15 at.%. The effects of composition and substrate orientation on the structure and the magnetic properties are studied. Fe-Co epitaxial films with bcc structures are obtained on all substrates. Fe-Co(100) single-crystal films are formed on MgO(100) substrates. Fe-Co films epitaxially grown on MgO(110) substrates consist of two (211) variants whose orientations are rotated around the film's normal by 180 each other. Fe-Co(110) films grow epitaxially on MgO(111) substrates with two types of variants, Nishiyama-Wasserman and Kurdjumov-Sachs relationships. As the B composition increases up to around 5 at.%, the film involves an amorphous structure in addition to an epitaxial bcc crystal structure. With further increases in the B content, the film is only amorphous. The magnetization properties of the films involving epitaxial crystals reflect the magnetocrystalline anisotropy of the bulk Fe-Co crystal. The easy magnetization direction varies depending on the crystallographic orientation of the film. Isotropic in-plane magnetic properties are observed for amorphous films.

  10. Catalytic Cycle Employing a TEMPO-Anion Complex to Obtain a Secondary Mg-O2 Battery.

    PubMed

    Shiga, Tohru; Hase, Yoko; Yagi, Yusuke; Takahashi, Naoko; Takechi, Kensuke

    2014-05-15

    Nonaqueous Mg-O2 batteries are suitable only as primary cells because MgO precipitates formed during discharging are not decomposed electrochemically at ambient temperatures. To address this problem, the present study examined the ability of the 2,2,6,6-tetramethylpiperidine-oxyl (TEMPO)-anion complex to catalyze the decomposition of MgO. It was determined that this complex was capable of chemically decomposing MgO at 60 °C. A catalytic cycle for the realization of a rechargeable Mg-O2 electrode was designed by combining the decomposition of MgO via the TEMPO-anion complex and the TEMPO-redox couple. This work also demonstrates that a nonaqueous Mg-O2 battery incorporating acrylate polymer having TEMPO side units in the cathode shows evidence of being rechargeable.

  11. Combustion synthesis of MgO nanoparticles using plant extract: Structural characterization and photoluminescence studies

    SciTech Connect

    Kumar, Danith; Chikkahanumantharayappa; Yadav, L. S. Reddy; Nagaraju, G.; Lingaraju, K.; Naika, H. Raja; Manjunath, K.; Suresh, D.; Prasad, Daruka; Nagabhushana, H.; Sharma, S. C.

    2015-06-24

    Magnesium oxide nanoparticles (MgO Nps) have been successfully synthesized via solution combustion method using Parthenium plant extract as fuel for the first time. Powder X-ray diffraction (PXRD) pattern reveal that product belongs to the cubic phase (Periclase). FTIR spectrum shows the band at 822 cm{sup −1} indicates the formation of cubic periclase MgO. The optical band gap of MgO Nps estimated from UV –Vis spectrum was found to be in the range 5.40–5.45 eV. SEM images showed that, the product is agglomerated and particle in nature. Photoluminescence (PL) studies shows violet emission at 390 nm, blue emission at 470 nm and green emission at 550 nm. MgO Nps shows good photocatalytic activity for the degradation of methylene blue (MB) dye under UV/Sun light irradiation.

  12. Combustion synthesis of MgO nanoparticles using plant extract: Structural characterization and photoluminescence studies

    NASA Astrophysics Data System (ADS)

    Kumar, Danith; Yadav, L. S. Reddy; Lingaraju, K.; Manjunath, K.; Suresh, D.; Prasad, Daruka; Nagabhushana, H.; Sharma, S. C.; Naika, H. Raja; Chikkahanumantharayappa, Nagaraju, G.

    2015-06-01

    Magnesium oxide nanoparticles (MgO Nps) have been successfully synthesized via solution combustion method using Parthenium plant extract as fuel for the first time. Powder X-ray diffraction (PXRD) pattern reveal that product belongs to the cubic phase (Periclase). FTIR spectrum shows the band at 822 cm-1 indicates the formation of cubic periclase MgO. The optical band gap of MgO Nps estimated from UV -Vis spectrum was found to be in the range 5.40-5.45 eV. SEM images showed that, the product is agglomerated and particle in nature. Photoluminescence (PL) studies shows violet emission at 390 nm, blue emission at 470 nm and green emission at 550 nm. MgO Nps shows good photocatalytic activity for the degradation of methylene blue (MB) dye under UV/Sun light irradiation.

  13. Discrete Layer-by-Layer Magnetic Switching in Fe /MgO (001 ) Superlattices

    NASA Astrophysics Data System (ADS)

    Moubah, R.; Magnus, F.; Warnatz, T.; Palsson, G. K.; Kapaklis, V.; Ukleev, V.; Devishvili, A.; Palisaitis, J.; Persson, P. O. Å.; Hjörvarsson, B.

    2016-04-01

    We report on a discrete layer-by-layer magnetic switching in Fe /MgO superlattices driven by an antiferromagnetic interlayer exchange coupling. The strong interlayer coupling is mediated by tunneling through MgO layers with thicknesses up to at least 1.8 nm, and the coupling strength varies with MgO thickness. Furthermore, the competition between the interlayer coupling and magnetocrystalline anisotropy stabilizes both 90° and 180° periodic alignment of adjacent layers throughout the entire superlattice. The tunable layer-by-layer switching, coupled with the giant tunneling magnetoresistance of Fe /MgO /Fe junctions, is an appealing combination for three-dimensional spintronic memories and logic devices.

  14. Laser spectroscopic studies of several Rydberg states of MgO.

    PubMed

    Wang, Jinjin; Breckenridge, W H

    2006-03-28

    We report extensive spectroscopic measurements of rovibronic transitions from the MgO X 1Sigma+ ground state to the high-energy E 1Sigma+, F 1Pi1, and G 1Pi1 Rydberg states. Perturbations in the E 1Sigma+ and G 1Pi1 states were observed. The Rydberg molecular orbital character of the three states is examined, given ab initio calculations by Thummel et al. [Chem. Phys. 129, 417 (1989)]. It is concluded that the E 1Sigma+ and G 1Pi1 states consist primarily of the MgO+ X 2Pi ionic core, surrounded by 3ppi and 3psigma Rydberg electron clouds, respectively, and that the F 1Pi1 state consists primarily of the MgO+ A 2Sigma+ ionic core surrounded by a 3ppi Rydberg electron cloud. Spectroscopic characterizations of some unassigned vibrational levels of analogous MgO 3Pi2 states in this energy region are also reported.

  15. Regenerable MgO promoted metal oxide oxygen carriers for chemical looping combustion

    DOEpatents

    Siriwardane, Ranjani V.; Miller, Duane D.

    2014-08-19

    The disclosure provides an oxygen carrier comprised of a plurality of metal oxide particles in contact with a plurality of MgO promoter particles. The MgO promoter particles increase the reaction rate and oxygen utilization of the metal oxide when contacting with a gaseous hydrocarbon at a temperature greater than about 725.degree. C. The promoted oxide solid is generally comprised of less than about 25 wt. % MgO, and may be prepared by physical mixing, incipient wetness impregnation, or other methods known in the art. The oxygen carrier exhibits a crystalline structure of the metal oxide and a crystalline structure of MgO under XRD crystallography, and retains these crystalline structures over subsequent redox cycles. In an embodiment, the metal oxide is Fe.sub.2O.sub.3, and the gaseous hydrocarbon is comprised of methane.

  16. Studying some mechanical properties of MgO with used neon bulb glass

    SciTech Connect

    Issa, Tarik Talib; Khaleel, Saba Mahdi; Abdul Kareem, Noura Ammar

    2013-12-16

    Ceramic compact of MgO +WT% of UNBG were sintered at different sintering temperature (700, 900, 1100, 1300)°c, under static air for 3 hours. X-ray diffraction and some mechanical properties were conducted. The maximum sintered density, compression; fracture strength and hardness were indicated for the compilation of MgO −20 WT % UNBG, sintered at 1300 °c.

  17. Process-Parameter-Dependent Optical and Structural Properties of ZrO2MgO Mixed-Composite Films Evaporated from the solid Solution

    NASA Technical Reports Server (NTRS)

    Sahoo, N. K.; Shapiro, A. P.

    1998-01-01

    The process-parameter-dependent optical and structural properties of ZrO2MgO mixed-composite material have been investigated. Optical properties were derived from spectrophotometric measurements. By use of atomic force microscopy, x-ray diffraction analysis, and energy-dispersive x-ray (EDX) analysis, the surface morphology, grain size distributions, crystallographic phases, and process-dependent material composition of films have been investigated. EDX analysis made evident the correlation between the oxygen enrichment in the films prepared at a high level of oxygen pressure and the very low refractive index. Since oxygen pressure can be dynamically varied during a deposition process, coatings constructed of suitable mixed-composite thin films can benefit from continuous modulation of the index of refraction. A step modulation approach is used to develop various multilayer-equivalent thin-film devices.

  18. Diffusion behavior and distribution regulation of MgO in MgO-bearing pellets

    NASA Astrophysics Data System (ADS)

    Gao, Qiang-jian; Shen, Yan-song; Wei, Guo; Jiang, Xin; Shen, Feng-man

    2016-09-01

    In this paper, the diffusion behavior between MgO and Fe2O3 (the main iron oxide in pellets) is investigated using a diffusion couple method. In addition, the distribution regulation of MgO in MgO-bearing pellets is analyzed via pelletizing experiments. The results illustrate that MgO is prone to diffuse into Fe2O3 in the form of solid solution; the diffusion rate considered here is 13.64 µm·min-1. Most MgO content distributes in the iron phase instead of the slag phase. The MF phase {(Mg1-x Fex)O·Fe2O3, x ≤ 1} is generated in the MgO-bearing pellets. However, the distribution of MgO in the radial direction of the pellets is inconsistent. The solid solution portion of MgO in the MF phase is larger in the outer layer of the pellets than in the inner layer. In this work, the approximate chemical composition of the MF phase in the outer layer of the pellets is {(Mg0.35-0.77·Fe0.65-0.23) O·Fe2O3} and in the inner layer is {(Mg0.13-0.45·Fe0.87-0.55) O·Fe2O3}.

  19. Epitaxial growth of ultrathin MgO layers on Fe3O4(0 0 1) films

    NASA Astrophysics Data System (ADS)

    Nordmann, T.; Kuschel, O.; Wollschläger, J.

    2016-09-01

    The initial growth stages of MgO on Fe3O4 films are studied by means of X-ray photoelectron spectroscopy and low energy electron diffraction to clarify stoichiometric and structural properties of these layered structures. This bilayer structure is important to fabricate high quality magnetic tunnel junctions based on Fe3O4 electrodes and MgO tunneling barriers. For this purpose, the deposition temperature of MgO has been varied between 100 °C and 250 °C. Initially, MgO grows layer-by-layer on Fe3O4/MgO(0 0 1) forming a wetting layer. Depending on the growth temperature, after growth of a 2-3 nm thick laminar wetting layer, the MgO films finally start to roughen during growth. Thus the growth of MgO on Fe3O4/MgO(0 0 1) is described by a Stranski-Krastanov growth mode. Diffraction experiments show that the magnetite (√{ 2} ×√{ 2})R45° superstructure is removed already during the initial stages of MgO deposition. Furthermore, these experiments show that MgO films are rougher for growth at low deposition temperatures.

  20. Preparation of (001)-oriented Pb(Zr,Ti)O3 thin films and their piezoelectric applications.

    PubMed

    Fujii, Eiji; Takayama, Ryoichi; Nomura, Kouji; Murata, Akiko; Hirasawa, Taku; Tomozawa, Atsushi; Fujii, Satoru; Kamada, Takeshi; Torii, Hideo

    2007-12-01

    Preparation of (001)-oriented Pb(Zr,Ti)O(3) (PZT) thin films and their applications to a sensor and actuators were investigated. These thin films, which have a composition close to the morphotropic phase boundary, were epitaxially grown on (100)MgO single-crystal substrates by RF magnetron sputtering. These (001)-oriented PZT thin films could be obtained on various kinds of substrates, such as glass and Si, by introducing (100)-oriented MgO buffer layers. In addition, the (001) oriented PZT thin films could be obtained on Si substrates without buffer layers by optimizing the sputtering conditions. All of these thin films showed excellent piezoelectric properties without the need for poling treatment. The PZT thin films on the MgO substrates had a high piezoelectric coefficient, d(31), of -100 pm/V, and an extremely low relative dielectric constant, epsilon(r), of 240. The PZT thin films on Si substrate had a very high d(31) of -150 pm/V and an epsilon(r) = 700. These PZT thin films were applied to an angular rate sensor with a tuning fork in a car navigation system, to a dual-stage actuator for positioning the magnetic head of a high-density hard disk drive, and to an actuator for an inkjet printer head for industrial on-demand printers.

  1. X-ray diffraction characterization of thin superconductive films

    SciTech Connect

    Kozaczek, K.J.; Watkins, T.R.; Book, G.W.; Carter, W.B.

    1995-12-31

    The physical and mechanical properties of thin films are often different from the properties of bulk material and are dictated by the film/substrate orientation relationship, crystal anisotropy and crystalgraphic texture of the film. X-ray diffraction texture analysis provides information about preferential film growth and can be used for optimization of deposition parameters and prediction of properties of thin films. An x-ray back reflection technique using the Braga-Brentano geometry with experimental corrections for absorption and defocusing was used to study thin ceramic films deposited by combustion chemical vapor deposition (CCVD). The film/substrate orientation relationships of YBa{sub 2}Cu{sub 3}O{sub x} (YBCO) superconducting thin films deposited via CCVD on single crystal MgO and polycrystalline silver substrates were studied. The as-deposited films on single crystal (100) MgO substrates showed strong preferential growth with the basal plane parallel to the substrate surface (c-axis up growth). Texture analysis showed two in-plane alignment orientations of the film with respect to the substrate, with YBCO [100] and [110] aligned with the [100] MgO substrate. YBCO films deposited on cold-rolled polycrystalline silver displayed c-axis up growth indicating that the orientation of the polycrystalline substrate (brass type texture) did not induce detectable in-plane preferential growth of the YBCO.

  2. Effect of MgO Additive on Volumetric Expansion of Self-Degradable Cements

    SciTech Connect

    Sugama T.; Warren, J.; Butcher, T.

    2011-09-30

    We identified hard-burned magnesium oxide (MgO) as a suitable expansive additive for improving the plugging performance of self-degradable, temporary sodium silicate-activated slag/Class C fly ash (SSASC) blend cement sealers into rock fractures in Enhanced Geothermal Systems (EGSs). MgO extended the volumetric expansion of sealers during their exposure to a hydrothermal environment at 200 C under pressures, ranging from 300 to 1500 psi. A great expansion ratc of 19.3% was observed by adding 3.0 wt% MgO under 300 psi pressure, thus promising to plug thoroughly inner fracture. When the pressure was increased from 300 psi to 1500 psi, the expansion rate of cement markedly reduced, corresponding to the formaLion of crack-free specimens and the improvement of compressive strength. However, with 3.0 wt% MgO, the specimens still engendered the generation of numerous visual cracks, although they were prepared under a high pressure of 1500 psi. The effective content of MgO in minimizing and eliminating the generation of cracks was 2.0 wt%, which provided a moderate expansion of {ge} 0.5%. The compressive strength of 2.0 wt% MgO specimens made under a pressure of 300 psi rose {approx} 1.7-fold to 4816 psi with an increasing pressure to 1500 psi. The in-situ growth of brucite crystal formed by the hydrothermal hydration of MgO was responsive for such an expansion of the SSASC cement; meanwhile. two crystalline hydrothermal reaction products, 1.1 nm tobermorite and calcium silicate hydrated, contributed to the development of the sealer's compressive strength. Thus, the increasing pressure seems to suppress and control a growth rate of brucite crystal in response to a lower extension of expansion. Furthermore, all MgO-conlaining SSASC sealers possessed the water-catalyzed self-degradable properties.

  3. In Situ Observation of MgO Inclusions in Liquid Iron-Aluminum Alloys

    NASA Astrophysics Data System (ADS)

    Mu, Haoyuan; Zhang, Tongsheng; Yang, Liang; Xavier, Rodrigo R.; Fruehan, Richard J.; Webler, Bryan A.

    2016-08-01

    This study showed that MgO inclusions can be stable in liquid iron with elevated Al and it illustrated an important role of vaporization in the evolution of inclusions. Previous studies have shown that dissolved Al reduces MgO from slags and refractories, leading to spinel (MgAl2O4) inclusions. The elevated Al content of newer steels raises the possibility that MgO inclusions can be stable. In this work, MgO inclusions were produced and observed in an Fe-Al alloy. The inclusions in the liquid alloy at 1873 K (1600 °C) were observed in situ with a Confocal Laser Scanning Microscope (CLSM). Two types of experiments were performed: one where only a metal sample was melted and the other where the sample was in contact with a liquid, MgO-saturated slag. When no slag was present, the MgO inclusions shrank and disappeared at 1873 K (1600 °C). No inclusions were observed in situ during cooling or in post-CLSM analysis. When the MgO-saturated slag was present, the inclusion sizes were essentially constant and MgO was observed on the surface of post-CLSM samples. Analysis of the results showed that MgO can be stable in 1873 K (1600 °C), but that its presence depends on the rate of removal of Mg due to vaporization and the supply of Mg due to slag/metal or refractory/metal reactions.

  4. Extension of the Optical Absorption Range in Zn-Doped MgO Powders and Its Effect on Antibacterial Activity

    NASA Astrophysics Data System (ADS)

    Ohira, Toshiaki; Kawamura, Mari; Fukuda, Masayuki; Alvarez, Kelly; Özkal, Burak; Yamamoto, Osamu

    2010-04-01

    In order to produce powder samples of Zn-doped MgO, the precursors, MgO and ZnO, were mixed in a molar ratio higher than 1.86 and subsequently treated at 1200 °C for 5 h in air atmosphere. With increasing Zn content in MgO, the lattice constant increased linearly, and the optical absorption intensity increased in the wavelength ranging from 200 to 400 nm. Antibacterial activity of the obtained powder samples was examined by colony count method using Escherichia coli and Staphylococcus aureus. In the antibacterial tests, it was found that the antibacterial activity enhanced with increasing Zn content in MgO. Antibacterial action toward S. aureus was greater than that toward E. coli, irrespective of the Zn content in MgO. From these results, the enhancement of the antibacterial activity could be related with the optical absorption of Zn-doped MgO.

  5. Location of Trapped Electron Centers in the Bulk of Epitaxial MgO(001) Films Grown on Mo(001) Using in situ W-band Electron Paramagnetic Resonance Spectroscopy.

    PubMed

    Cornu, Damien; Rocker, Jan; Gonchar, Anastasia; Risse, Thomas; Freund, Hans-Joachim

    2016-07-01

    We present the first in situ W-band (94-GHz) electron paramagnetic resonance (EPR) study of a trapped electron center in thin MgO(001) films. The improved resolution of the high-field EPR experiments proves that the signal originate from a well-defined species present in the bulk of the films, whose projection of the principal g-tensor components onto the (001) plane are oriented along the [110] direction of the MgO lattice. Based on a comparison between the structural properties of the films, knowledge of the ability of bulk defects to trap electrons, and the properties of the EPR signal, it is possible to propose that the paramagnetic species are located at the origin of a screw dislocation in the bulk of the film.

  6. Experimental Work Conducted on MgO Inundated Hydration in WIPP-Relevant Brines

    NASA Astrophysics Data System (ADS)

    Deng, H.; Xiong, Y.; Nemer, M. B.; Johnsen, S.

    2009-12-01

    Magnesium oxide (MgO) is being emplaced in the Waste Isolation Pilot Plant (WIPP) as an engineered barrier to mitigate the effect of microbial CO2 generation on actinide mobility in a postclosure repository environment. MgO will sequester CO2 and consume water in brine or water vapor in the gaseous phase. Martin Marietta (MM) MgO is currently being emplaced in the WIPP. A fractional-factorial experiment has been performed to study the inundated-hydration of MM MgO as a function of its particle size, solid-to-liquid ratio, and brine type. MgO hydration experiments have been carried out with three MgO particle sizes and two solid-to-liquid ratios in three WIPP-related brines: ERDA-6, GWB and simplified GWB. ERDA-6 is a synthetic NaCl-rich brine typical of a Castile brine reservoir below the repository. GWB is a synthetic MgCl2- and NaCl-rich brine representative of intergranular brines from the Salado Formation at or near the stratigraphic horizon of the repository. Simplified GWB contains amounts of Mg, Na, and Cl similar to those in GWB without other minor constituents. The hydration products include brucite (Mg(OH)2) and phase 5 (Mg3(OH)5Cl4H2O). In addition to phase 5, MgO hydration in GWB or simplified GWB produces brucite, whereas MgO hydrated in ERDA-6 only produces brucite. The MgO particle size has had a significant effect on the formation of hydration products: small MgO particles have hydrated before the large particles. MgO has hydrated faster in simplified GWB than in the other two brines. In ERDA-6, the solid-to-liquid ratio has affected the brine pH due to the presence of CaO (~1 wt %) as an impurity in MM MgO. GWB has sufficient dissolved Mg to buffer pH despite small amounts of CaO. Both our results and thermodynamic modeling indicate that phase-5 is the stable Mg-OH-Cl phase in Mg-Na-Cl-dominated brines with ionic strengths and chemical compositions similar to that of GWB. In contrast, phase-3 (Mg2(OH)3Cl4H2O) is the stable phase in the MgCl2

  7. Ion beam assisted deposition of MgO barriers for magnetic tunnel junctions

    SciTech Connect

    Cardoso, S.; Macedo, R. J.; Ferreira, R.; Augusto, A.; Wisniowski, P.; Freitas, P. P.

    2008-04-01

    This work reports for the first time results on MgO tunnel junctions prepared by ion beam. The MgO barrier was deposited from a ceramic MgO target using an assisted beam, following the deposition and assisted beam phase diagram which relate the beam profile with the current and energy. The deposition rate for MgO is calculated with and without assisted beam, and compared with the experimental values. The MgO film growth on Ta/CoFeB/MgO simple stacks was optimized aiming at a (002) preferred orientation for the MgO growth, measured by x-ray diffraction. The optimum assist beam energy was tuned for each deposition beam condition (+800,+1000,+1200 V), using assist beams of 40 mA ({approx}130 {mu}A/cm{sup 2}) with 0 to +600 V. Without assist beam, no texture is observed for the MgO, while the (002) orientation appears for assisted deposition. The optimum range of assist voltages is large, being limited by the onset of etching at high voltages, reducing the deposition rate. Magnetic tunnel junctions were deposited with the structure Ta 50 A/Ru 200 A/Ta 50 A/Mn{sub 78}Ir{sub 22} 150 A/Co{sub 90}Fe{sub 10} 30 A/Ru 8 A/Co{sub 56}Fe{sub 24}B{sub 20} 40 A/MgO t/Co{sub 56}Fe{sub 24}B{sub 20} 30 A/Ru 30 A/Ta 50 A, with the MgO barrier deposited with the conditions optimized by x rays. The effect of the assist beam energy on the junction properties (magnetoresistance and magnetization) are discussed. Tunnel magnetoresistance values up to 110%, with RA products of 100-400 {omega} {mu}m{sup 2}, for 11 A thick MgO barriers are obtained using assisted deposition with a +100 V assist beam, which is a major improvement of the {approx}30% of TMR, if no beam is used.

  8. Properties of two-dimensional insulators: A DFT study of bimetallic oxide CrW2O9 clusters adsorption on MgO ultrathin films

    NASA Astrophysics Data System (ADS)

    Zhu, Jia; Zhang, Hui; Zhao, Ling; Xiong, Wei; Huang, Xin; Wang, Bin; Zhang, Yongfan

    2016-08-01

    Periodic density functional theory calculations have been performed to study the electronic properties of bimetallic oxide CrW2O9 clusters adsorbed on MgO/Ag(001) ultrathin films (<1 nm). Our results show that after deposition completely different structures, electronic properties and chemical reactivity of dispersed CrW2O9 clusters on ultrathin films are observed compared with that on the thick MgO surface. On the thick MgO(001) surface, adsorbed CrW2O9 clusters are distorted significantly and just a little electron transfer occurs from oxide surface to clusters, which originates from the formation of adsorption dative bonds at interface. Whereas on the MgO/Ag(001) ultrathin films, the resulting CrW2O9 clusters keep the cyclic structures and the geometries are similar to that of gas-phase [CrW2O9]-. Interestingly, we predicted the occurrence of a net transfer of one electron by direct electron tunneling from the MgO/Ag(001) films to CrW2O9 clusters through the thin MgO dielectric barrier. Furthermore, our work reveals a progressive Lewis acid site where spin density preferentially localizes around the Cr atom not the W atoms for CrW2O9/MgO/Ag(001) system, indicating a potentially good bimetallic oxide for better catalytic activities with respect to that of pure W3O9 clusters. As a consequence, present results reveal that the adsorption of bimetallic oxide CrW2O9 clusters on the MgO/Ag(001) ultrathin films provide a new perspective to tune and modify the properties and chemical reactivity of bimetallic oxide adsorbates as a function of the thickness of the oxide films.

  9. Formation of Hydroxyl and Water Layers on MgO Films Studied with Ambient Pressure XPS

    SciTech Connect

    Newberg, J.T.; Starr, D.; Yamamoto, S.; Kaya, S.; Kendelewicz, T.; Mysak, E.R.; Porsgaard, S.; Salmeron, M.B.; Brown Jr., G.E.; Nilsson, A.; Bluhm, H.

    2011-01-01

    To understand the interaction of water with MgO(100), a detailed quantitative assessment of the interfacial chemistry is necessary. We have used ambient pressure X-ray photoelectron spectroscopy (XPS) to measure molecular (H{sub 2}O) and dissociative (OH) water adsorption on a 4 monolayer (ML) thick MgO(100)/Ag(100) film under ambient conditions. Since the entire 4 ML metal oxide (Ox) film is probed by XPS, the reaction of the MgO film with water can be quantitatively studied. Using a multilayer model (Model 1) that measures changes in Ox thickness from O 1s (film) and Ag 3d (substrate) spectra, it is shown that the oxide portion of the MgO film becomes thinner upon hydroxylation. A reaction mechanism is postulated in which the top-most layer of MgO converts to Mg(OH)2 upon dissociation of water. Based on this mechanism a second model (Model 2) is developed to calculate Ox and OH thickness changes based on OH/Ox intensity ratios from O 1s spectra measured in situ, with the known initial Ox thickness prior to hydroxylation. Models 1 and 2 are applied to a 0.15 Torr isobar experiment, yielding similar results for H{sub 2}O, OH and Ox thickness changes as a function of relative humidity.

  10. Thin films of the Bi2Sr2Ca2Cu3O(x) superconductor

    NASA Technical Reports Server (NTRS)

    Mei, YU; Luo, H. L.; Hu, Roger

    1990-01-01

    Using RF sputtering technique, thin films of near single phase Bi2Sr2Ca2Cu3O(x) were successfully prepared on SrTiO3(100), MgO(100), and LaAlO3(012) substrates. Zero resistance of these films occurred in the range of 90-105 K.

  11. Antibacterial effects of biosynthesized MgO nanoparticles using ethanolic fruit extract of Emblica officinalis.

    PubMed

    Ramanujam, Kalimuthan; Sundrarajan, Mahalingam

    2014-12-01

    Magnesium oxides nanoparticles were successfully synthesized from Mg(NO3)(2)·6H2O through a simple greener route using fruit extract (Emblica officinalis). The synthesized samples were characterized by different techniques such as X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and Scanning electron microscopy (SEM) with Energy dispersive X-ray spectroscopy (EDX) analysis. The XRD pattern shows the face centered cubic structure with 27 nm of crystalline size of MgO nanoparticles was confirmed by the Debye-Scherrer's Formula. The spherical in shape of MgO nanoparticles is confirmed by SEM analysis. MgO nanoparticles treated cotton fabric produced stronger antibacterial activity. These types of treated fabrics are used in medical application.

  12. Structural and optical properties of MgO doped ZnO

    SciTech Connect

    Verma, Kavita; Shukla, S.; Varshney, Dinesh; Varshney, M.; Asthana, A.

    2014-04-24

    Samples of ZnO, Zn{sub 0.5}Mg{sub 0.5}O and MgO were prepared by co-precipitation method. X-ray diffraction (XRD) pattern infers that the sample of ZnO is in single-phase wurtzite structure (hexagonal phase, space group P6{sub 3}mc), MgO crystallizes in cubic Fd3m space group and Zn{sub 0.5}Mg{sub 0.5}O represents mixed nature of ZnO and MgO lattices. Similar features were observed from Raman spectroscopy. The energy band gaps estimated from UV-Vis spectroscopy are found to be 4.21 and 3.42 eV for ZnO and Zn{sub 0.5}Mg{sub 0.5}O samples respectively.

  13. Surface Decoration of MgO Nanocubes with Sulfur Oxides: Experiment and Theory

    PubMed Central

    2013-01-01

    We investigated the effect of surface sulfate formation on the structure and spectroscopic properties of MgO nanocubes using X-ray diffraction, electron microscopy, several spectroscopic techniques, and ab initio calculations. After CS2 adsorption and oxidative treatment at elevated temperatures the MgO particles remain cubic and retain their average size of ∼6 nm. Their low coordinated surface elements (corners and edges) were found to bind sulfite and sulfate groups even after annealing up to 1173 K. The absence of MgO corner specific photoluminescence emission bands at 3.4 and 3.2 eV substantiates that sulfur modifies the electronic properties of characteristic surface structures, which we attribute to the formation of (SO3)2– and (SO4)2– groups at corners and edges. Ab initio calculations support these conclusions and provide insight into the local atomic structures and spectroscopic properties of these groups. PMID:23616910

  14. Structure and properties of ZrO2-MgO powders

    NASA Astrophysics Data System (ADS)

    Buyakova, S. P.; Kalatur, E. S.; Buyakov, A. S.; Kulkov, S. S.

    2016-04-01

    It have been studied magnesia stabilized zirconia (ZrO2-MgO) powders produced by high-frequency decomposition of water salt solutions. It have been shown that due to precursor dissociation powders consist of spherical particles with smooth surface and irregular hollow aggregates resembling foam. An increase in the magnesium concentration in the precursor has an effect on the powder properties, namely, the specific surface decreases significantly and the bulk density increases. Zirconia in the nanostructured state is present only in the powders with 8.6 and 13.9 mole% MgO, with the size of the c-ZrO2 crystallites in them no more than 100 nm. In powder with 43.3 mole% of MgO the magnesia content in c-ZrO2 solid solution corresponds to its solubility limit of 22.2 mole% at temperature 2100°C.

  15. Damage Processes In MgO Irradiated With Medium-energy Heavy Ions

    SciTech Connect

    Moll, Sandra J.; Zhang, Y.; Debelle, A.; Thome, Lionel; Crocombette, J.-P.; Zhu, Zihua; Jagielski, Jacek; Weber, William J.

    2015-04-01

    The micro-structural modifications produced in MgO single crystals exposed to medium-energy heavy ions (1.2-MeV Au) were investigated using Rutherford backscattering spectrometry in channeling geometry coupled to Monte-Carlo analyses, secondary ion mass spectrometry, X-ray diffraction and transmission electron microscopy. The damage accumulation and the elastic strain variation were interpreted in the framework of the multi-step damage accumulation (MSDA) model. Both build-ups follow a multi-step process similar to that recently observed for ion-irradiated yttria-stabilized zirconia (YSZ) single crystals. However, in MgO, an unexpectedly high disorder level occurs far beyond the theoretical damage distribution. These results strongly suggest that the migration of defects created in the near-surface layer is most likely at the origin of the broadening of the damage depth distribution in MgO.

  16. Multi-particle assembled porous nanostructured MgO: its application in fluoride removal

    NASA Astrophysics Data System (ADS)

    Gangaiah, Vijayakumar; Siddaramanna, Ashoka; Thimanna Chandrappa, Gujjarahalli

    2014-12-01

    In this article, a simple and economical route based on ethylene glycol mediated process was developed to synthesize one-dimensional (1D) multiparticle assembled nanostructured MgO using magnesium acetate and urea as reactants. Porous multiparticle chain-like MgO has been synthesized by the calcination of a solvothermally derived single nanostructured precursor. The prepared products were characterized by an x-ray diffraction (XRD) pattern, thermogravimetry, scanning/transmission electron microscopy (SEM/TEM) and N2 adsorption (BET). As a proof of concept, the porous multiparticle chain-like MgO has been applied in a water treatment for isolated and rural communities, and it has exhibited an excellent adsorption capability to remove fluoride in waste water. In addition, this method could be generalized to prepare other 1D nanostructures with great potential for various attractive applications.

  17. X-ray diffraction of MgO along the shock Hugoniot

    NASA Astrophysics Data System (ADS)

    Wicks, June

    2015-06-01

    The structure of MgO upon shock compression was interrogated at the Omega Laser at the Laboratory for Laser Energetics, University of Rochester. Laser drives of up to 2 kJ over 7 ns focused onto a polyimide ablator were used to shock compress 50- μ m thick polycrystalline or single-crystal MgO. Scattered He- α X-rays from an Fe backlighter timed with maximum compression were collected using the PXRDiP diagnostic, in which image plates line the inner walls of a box attached to the target package. Other diagnostics utilized were VISAR (velocity history) and Streaked Optical Pyrometry (temperature). We will present experiments probing the B 1 - B 2 phase transition of MgO and discuss the implications for detection of melting. In collaboration with Thomas Duffy, Ray Smith, Rick Kraus, Federica Coppari, Dayne Fratanduono, Marius Millot, Amy Jenei, Jon Eggert, and Gilbert Collins, Lawrence Livermore National Laboratory.

  18. The effect of toxic malachite green on the bacterial community in Antarctic soil and the physiology of malachite green-degrading Pseudomonas sp. MGO.

    PubMed

    Jung, Jaejoon; Seo, Hyoju; Lee, Se Hee; Jeon, Che Ok; Park, Woojun

    2013-05-01

    The effects of malachite green (MG) on the bacterial community in Antarctic soil were assessed. Culture-independent community analysis using 16S rRNA gene pyrosequencing showed that, in the presence of MG, the relative abundance of Pseudomonas dramatically increased from 2.2 % to 36.6 % (16.6-fold), and Pseudomonas became the predominant genus. The reduction in bacterial biodiversity was demonstrated by diversity indices and rarefaction curves. MG-degrading Pseudomonas sp. MGO was isolated from Antarctic soil. MG tolerance and decolorization activity were confirmed by growth, spectrophotometric, high-performance liquid chromatography, and thin-layer chromatography analyses in high MG concentrations. Our data showed that the decolorization process occurred via biodegradation, while biosorption also occurred after some time during the fed-batch decolorization process. Significant inductions in laccase, nicotinamide adenine dinucleotide-2,6 dichlorophenol indophenol reductase, and MG reductase activities suggested their involvement in the decolorization process. We also showed that the high tolerance of strain MGO to toxic MG might be mediated by upregulation of oxidative stress defense systems such as superoxide dismutase and protease. Collectively, these results demonstrated the response of the Antarctic soil bacterial community to MG and provided insight into the molecular mechanism of MG-tolerant Pseudomonas strains isolated from Antarctic soil.

  19. First-principles study of Mg(0001)/MgO(1-11) interfaces

    NASA Astrophysics Data System (ADS)

    Song, Hong-Quan; Zhao, Ming; Li, Jian-Guo

    2016-06-01

    By means of first-principles density-functional calculations, we studied the surface energy of a nonstoichiometric MgO(1-11) slab, the interfacial energy and interfacial bonding characteristics of Mg-terminated and O-terminated Mg/MgO(1-11) interfaces with three stacking-site (TOP, HCP and FCC sites) models, and the effect of the thickness of Mg films on the O-terminated MgO(1-11) surface. The results indicate that the surface energies of the nonstoichiometric MgO(1-11) slab and interfacial energies of Mg/Mg(1-11) interface depend on Mg chemical potential. We found that the Mg-terminated MgO(1-11) surface is more stable than the O-terminated MgO(1-11) surface at high Mg chemical potential, and Mg/MgO(1-11) with FCC stacking-site model is the most stable configuration in the Mg/MgO(1-11) interfaces. The results of the electronic structure reveals that the interfacial bonding of Mg-terminated interface with FCC site model mainly consists of metallic bond and of the O-terminated interface with FCC site model is mainly ionic with a small degree of σ-type covalent bond. Although the interfacial energy of Mg-terminated Mg/MgO interface with FCC stacking-site model is slightly higher than that of O-terminated Mg/MgO interface, the molten Mg would epitaxially grow on the FCC sites of the Mg-terminated MgO(1-11) surface because of the high evaporation pressure of Mg at high temperature.

  20. Grain boundaries at the surface of consolidated MgO nanocrystals and acid-base functionality.

    PubMed

    Vingurt, Dima; Fuks, David; Landau, Miron V; Vidruk, Roxana; Herskowitz, Moti

    2013-09-21

    The increase of the surface basicity-acidity of MgO material by factors of 1.8-3.0 due to consolidation of its nanocrystals was demonstrated by the indicator titration. It was shown that the parallel increase of surface acidity and basicity is attributed to the formation of grain boundaries (GB) after MgO aerogel densification. A simple model predicting the increase of surface acidity-basicity of MgO that correlates with the results of direct measurements was proposed. The model is based on the study of the fine atomic structure at GB surface areas in consolidated MgO nanocrystals in the framework of Density Functional Theory. It is found that the displacements of coordinatively unsaturated surface ions near the GB are significant at the distances ~3-4 atomic layers from the geometrical contact plane between nanocrystals. The detailed analysis of atomic positions inside GB demonstrated the coordination deficiency of surface atoms at the GB areas leading to the formation of stretched bonds and to creation of low coordinated surface ions due to splitting of coordination numbers of surface atoms belonging to GB areas. Density of states for electrons shows the existence of additional states in the band gap close to the bottom of the conduction band. The adsorption energy of CO2 molecules atop oxygen atoms exposed at surface GB areas is of the same order of magnitude as that reported for oxygen atoms at crystallographic edges and corners of MgO crystals. It provides additional options for bonding of molecules at the surface of nanocrystalline MgO increasing the adsorption capacity and catalytic activity.

  1. Grain boundaries at the surface of consolidated MgO nanocrystals and acid-base functionality.

    PubMed

    Vingurt, Dima; Fuks, David; Landau, Miron V; Vidruk, Roxana; Herskowitz, Moti

    2013-09-21

    The increase of the surface basicity-acidity of MgO material by factors of 1.8-3.0 due to consolidation of its nanocrystals was demonstrated by the indicator titration. It was shown that the parallel increase of surface acidity and basicity is attributed to the formation of grain boundaries (GB) after MgO aerogel densification. A simple model predicting the increase of surface acidity-basicity of MgO that correlates with the results of direct measurements was proposed. The model is based on the study of the fine atomic structure at GB surface areas in consolidated MgO nanocrystals in the framework of Density Functional Theory. It is found that the displacements of coordinatively unsaturated surface ions near the GB are significant at the distances ~3-4 atomic layers from the geometrical contact plane between nanocrystals. The detailed analysis of atomic positions inside GB demonstrated the coordination deficiency of surface atoms at the GB areas leading to the formation of stretched bonds and to creation of low coordinated surface ions due to splitting of coordination numbers of surface atoms belonging to GB areas. Density of states for electrons shows the existence of additional states in the band gap close to the bottom of the conduction band. The adsorption energy of CO2 molecules atop oxygen atoms exposed at surface GB areas is of the same order of magnitude as that reported for oxygen atoms at crystallographic edges and corners of MgO crystals. It provides additional options for bonding of molecules at the surface of nanocrystalline MgO increasing the adsorption capacity and catalytic activity. PMID:23907522

  2. Surface Plasmons in Silver Films--A Novel Undergraduate Experiment

    ERIC Educational Resources Information Center

    Simon, H. J.; And Others

    1975-01-01

    Describes an experiment in which a 500-A-thick silver film is evaporated on the hypotenuse face of a right glass prism. The surface plasmon mode in the film is excited with a He-Ne laser. The dispersion relation for the surface plasmon and the reflectivity due to the excitation of this mode are calculated. (Author/MLH)

  3. Preparation of nanocrystalline MgO by surfactant assisted precipitation method

    SciTech Connect

    Rezaei, Mehran; Khajenoori, Majid; Nematollahi, Behzad

    2011-10-15

    Highlights: {yields} Nanocrystalline magnesium oxide with high surface area. {yields} MgO prepared with surfactant showed different morphologies compared with the sample prepared without surfactant. {yields} MgO prepared with surfactant showed a plate-like shape. {yields} Refluxing temperature and time and the surfactant to metal molar ratio affect the textural properties of MgO. -- Abstract: Nanocrystalline magnesium oxide with high surface area was prepared by a simple precipitation method using pluronic P123 triblock copolymer (Poly (ethylene glycol)-block, Poly (propylene glycol)-block, Poly (ethylene glycol)) as surfactant and under refluxing conditions. The prepared samples were characterized by X-ray diffraction (XRD), N{sub 2} adsorption (BET) and scanning and transmission electron microscopies (SEM and TEM). The obtained results revealed that the refluxing time and temperature and the molar ratio of surfactant to metal affect the structural properties of MgO, because of the changes in the rate and extent of P123 adsorption on the prepared samples. The results showed that the addition of surfactant is effective to prepare magnesium oxide with high surface area and affects the morphology of the prepared samples. With increasing the P123/MgO molar ratio to 0.05 the pore size distribution was shifted to larger size. The sample prepared with addition of surfactant showed a plate-like shape which was completely different with the morphology of the sample prepared without surfactant. The formation of nanoplate-like MgO was related to higher surface density of Mg ions on the (0 0 1) plane than that on the other planes of the Mg(OH){sub 2} crystal. The (0 0 1) plane would be blocked preferentially by the adsorbed P123 molecules during the growing process of Mg(OH){sub 2} nanoentities and the growth on the (0 0 1) plane would be markedly restricted, and the consequence is the generation of nanoplate-like MgO. In addition, increase in refluxing temperature and time

  4. The mechanism of sputter-induced epitaxy modification in YBCO (001) films grown on MgO (001) substrates

    SciTech Connect

    Huang, Y.; Vuchic, B.V.; Carmody, M.; Baldo, P.M.; Merkle, K.L.; Buchholz, D.B.; Mahajan, S.; Lei, J.S.; Markworth, P.R.; Chang, R.P.; Marks, L.D.

    1998-12-01

    The sputter-induced epitaxy change of in-plane orientation occurring in YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} (001) thin films grown on MgO (001) substrates by pulsed organo-metallic beam epitaxy (POMBE) is investigated by a series of film growth and characterization experiments, including RBS and TEM. The factors influencing the orientation change are systematically studied. The experimental results suggest that the substrate surface morphology change caused by the ion sputtering and the Ar ion implantation in the substrate surface layer are not the major factors that affect the orientation change. Instead, the implantation of W ions, which come from the hot filament of the ion gun, and the initial Ba deposition layer in the YBCO film growth play the most important roles in controlling the epitaxy orientation change. Microstructure studies show that a Ba{sub x}Mg{sub 1{minus}x}O buffer layer is formed on top of the sputtered substrate surface due to Ba diffusion into the W implanted layer. It is believed that the formation of this buffer layer relieves the large lattice mismatch and changes the YBCO film from the 45{degree} oriented growth to the 0{degree} oriented growth. {copyright} {ital 1998 Materials Research Society.}

  5. First-principles study of B, C, N and F doped graphene-like MgO monolayer

    NASA Astrophysics Data System (ADS)

    Wu, Ping; Huang, Min; Cheng, Wenjing; Tang, Fuling

    2016-07-01

    Based on the first-principles calculations, we have investigated the stable geometries, electronic and magnetic properties of the graphene-like MgO monolayer with O atom substituted by B, C, N, and F atoms. The formation energy decreases in the order of B>C>N>F, which may be influenced by the different electronegativities. The band gaps of p-type doped MgO monolayers are tunable due to the emergence of impurity states within the band gap, while F-doped MgO monolayer realizes the transition from semiconductor to metal. The results show that p-type doped MgO monolayer exhibit magnetic behaviors due to polarizations of dopants and surrounding Mg or O atoms near the dopants, while no magnetism is observed in the case of F doped MgO monolayer. These results are potentially useful for spintronic applications and the development of magnetic nanostructures.

  6. Perpendicular magnetic anisotropy of Mn{sub 4}N films on MgO(001) and SrTiO{sub 3}(001) substrates

    SciTech Connect

    Yasutomi, Yoko; Ito, Keita; Sanai, Tatsunori; Toko, Kaoru; Suemasu, Takashi

    2014-05-07

    We grew Mn{sub 4}N epitaxial thin films capped with Au layers on MgO(001) and SrTiO{sub 3}(001) substrates by molecular beam epitaxy. Perpendicular magnetic anisotropy (PMA) was confirmed in all the samples at room temperature from the magnetization versus magnetic field curves using superconducting quantum interference device magnetometer. From the ω-2θ x-ray diffraction (XRD) and ϕ-2θ{sub χ} XRD patterns, the ratios of perpendicular lattice constant c to in-plane lattice constant a, c/a, were found to be about 0.99 for all the samples. These results imply that PMA is attributed to the in-plane tensile strain in the Mn{sub 4}N films.

  7. Coating with mesoporous silica remarkably enhances the stability of the highly active yet fragile flower-like MgO catalyst for dimethyl carbonate synthesis.

    PubMed

    Cui, Zhi-Min; Chen, Zhe; Cao, Chang-Yan; Song, Wei-Guo; Jiang, Lei

    2013-07-11

    Flower-like MgO is a highly effective catalyst for the synthesis of dimethyl carbonate through the transesterification method, and coating the catalyst with mesoporous silica significantly enhances the stability of the MgO catalyst.

  8. High-rate reel-to-reel continuous coating of biaxially textured magnesium oxide thin films for coated conductors

    SciTech Connect

    Chudzik, M. P.; Erck, R. A.; Balachandran, U.; Luo, Z. P.; Miller, D. J.; Kannewurf, C. R.

    2000-01-12

    Biaxially textured thin films of magnesium oxide (MgO) were deposited by electron beam evaporation at deposition rates of 0.6 {mu}m/min on moving Ni-based alloy tapes as oriented buffer layers for coated conductors. Moving substrates were inclined with respect to the atomic vapor and translated through collimated dual vapor sources. Growth anisotropy in the MgO and self-shadowing effects due to the inclined angle combine to create biaxial texture in the deposited thin films. MgO films grown to a thickness of 2.0 {mu}m with this inclined-substrate deposition technique have yielded in-plane textures of 10--12{degree} fill-width half-maximum (FWHM). Results of a parametric study on the in-plane texture in short-length static-mode samples are presented, along with preliminary results of long-length samples deposited under translating conditions.

  9. Thermodynamics of MgO shocked to 250 GPa and 9000 K

    NASA Astrophysics Data System (ADS)

    Fat'yanov, O. V.; Asimow, P. D.; Ahrens, T. J.

    2011-06-01

    Plate impact experiments in the 200-250 GPa pressure range were done on <100 > single-crystal MgO preheated before compression to 1850 K. Hot Mo(driver)-MgO targets were impacted with Ta flyers launched by the Caltech two-stage light-gas gun up to 7.5 km/s. Radiative temperatures and shock velocities were measured with 3-5% and 1-2% respective uncertainty by a 6-channel pyrometer with 3 ns time resolution, over 500-900 nm spectral range. MgO shock front reflectivity was determined in additional experiments at 220 and 250 GPa using 50/50 high-temperature sapphire beamsplitters. Shock temperatures and preheated MgO Hugoniot data reported here are in good agreement with the corresponding values calculated using Mie-Grüneisen equation of state with γ0 = 1.4 and constant γ / V . Our experiments showed no evidence of MgO melting up to 250 GPa and 9.2 kK. The highest shock temperatures exceed the extrapolated melting curve of Zerr & Boehler by >3000 K at 250 GPa, which seems too much for any realistic superheating.

  10. Transient Cataluminescence on Flowerlike MgO for Discrimination and Detection of Volatile Organic Compounds.

    PubMed

    Xu, Honglin; Li, Qiuyan; Zhang, Lichun; Zeng, Binrong; Deng, Dongyan; Lv, Yi

    2016-08-16

    Methodologies for simple and rapid identification of gas compounds are needed in the fields of environmental and security. Here, a new and simple method for the discrimination of gas compounds was designed through an interesting transient cataluminescence (TRCTL) phenomenon on the highly efficient MgO materials. The flowerlike MgO with high CTL activity was controllably synthesized via a facile and time-saving aqueous precipitation route and characterized by scanning electron microscopy, powder X-ray diffractometry, high-resolution transmission electron microscopy, and N2 adsorption measurements, etc. With flowerlike MgO working as the sensing material, the newly developed CTL gas sensor exhibited highly active, ultrafast, and characteristic responses toward many analytes; the TRCTL curves thus were obtained and 10 VOCs have been successfully identified. Parallel experimental results show that the controllable synthesis of flowerlike MgO can greatly enhance the discrimination capacities for VOCs. Further, the TRCTL of CHCl3 and C2H5OC2H5 were taken as typical examples to illustrate the possible sensing mechanism, which could contribute to explaining processes of catalytic oxidations. We expect this novel TRCTL concept will be of practical importance for applications including gas detection, gas discrimination, and research of chemical kinetics processes. PMID:27417505

  11. Nanocrystal Ghosting: Extensive radiation damage in MgO induced by low-energy electrons

    NASA Astrophysics Data System (ADS)

    Sawyer, William; Frankenfield, Zachery; Kane, Kenneth

    Radiation damage in magnesium oxide has been an ongoing source of investigation. Early work was motivated by its simple cubic structure and its excellent electrical insulating properties over a wide range of temperatures and mechanical conditions. The goal was to determine its suitability as an electrical insulator in radiation intense environments including nuclear reactors and proposed nuclear fusion devices. During this period experimental results for irradiation of MgO using electrons with energies less than 500 keV produced very limited damage. These results, supported by theoretical arguments, lead to the conclusion that MgO was relatively impervious to damage from electrons with energies below this threshold. More recently its excellent insulating properties and relative mechanical stability combined with an increased interest in nanomaterials applications have created renewed interest in MgO. In this paper direct evidence is presented for extensive radiation damage in MgO nanocrystals from intense irradiation by electrons (2 x 10 4electrons/nm2 sec) with beam energies between 120 keV and 60 keV.

  12. Influence of MgO on structure and optical properties of alumino-lithium-phosphate glasses

    NASA Astrophysics Data System (ADS)

    Jlassi, I.; Elhouichet, H.; Ferid, M.

    2016-07-01

    MgO doped lithium alumino phosphate glasses (PLA: P2O5+Li2O+Al2O3+MgO) were prepared by melt quenching technique. Raman spectra display three significant peaks at 698, 1164 and 1383 cm-1 attributed to: symmetric stretching vibrations of the bridging oxygen (BO) in the P-O-P chains, symmetric stretching vibrations of the PO2 groups, and the asymmetric vibrations vas(PO2) of the non-bridging oxygen (NBO) atoms, respectively. Also, the density, molar volumes and ion concentration have been discussed and correlated with the structural changes within the glassy matrix. Some optical constants such as refractive index and dispersion parameters (Eo: single-oscillator energy and Ed: dispersive energy) of the glasses were determined. Finally, the values of the optical band gap for direct and indirect allowed transitions have been determined from the absorption edge studies. It is deduced that the values of Eopt increase with increasing MgO content. It was assigned to structural changes induced from the formation of non-bridging oxygen. The Urbach energy (ΔE) was found to decrease from 0.578 to 0.339 eV with increasing MgO content from 0.5 to 2 mol.

  13. FeO and MgO in plagioclase of lunar anorthosites: Igneous or metamorphic?

    NASA Technical Reports Server (NTRS)

    Phinney, W. C.

    1994-01-01

    The combined evidence from terrestrial anorthosites and experimental laboratory studies strongly implies that lunar anorthosites have been subjected to high-grade metamorphic events that have erased the igneous signatures of FeO and MgO in their plagioclases. Arguments to the contrary have, to this point, been more hopeful than rigorous.

  14. ME- μSR MgO study: search for O[-1] earthquake-like precursors

    NASA Astrophysics Data System (ADS)

    Boekema, C.; Welch, G.; Johnson, C. E.; Freund, F. T.

    2015-03-01

    We analyze O-1 earthquake-like precursor effects by studying the μSR signals of MgO using Muon-Spin Resonance and Maximum Entropy (ME). Due to its abundance in the earth crust, MgO is ideal for studying these features: O-1 (or positive hole) formation results from a break in an oxygen anion pair under elevated temperature or high pressure conditions. For a 3N-MgO single crystal above RT, a small percentage (<1%) is predicted to be in an O-1 state, instead of typical O-2 ions. ME analysis of transverse field (100 Oe) MgO data show asymmetrical μSR peaks at ~ 1.4 MHz. Small T-dependent deviations from a Lorentzian (Lor) signal could be effects of O-1 states in MgO. We have fitted ME transforms with three Lorentzians to obtain a reasonable description of the 1.4-MHz peak. The T dependences of this 3-Lor set and their B-field dependences at 17°C are reported and discussed, and their relation to precursor earthquake-like O-valency effects. Research supported by RSCA-SJSU, SETI, WiSE-SJSU and AFC San Jose.

  15. Electronic and magnetic structure of epitaxial Fe3O4(001 ) /NiO heterostructures grown on MgO(001) and Nb-doped SrTiO3(001 )

    NASA Astrophysics Data System (ADS)

    Kuepper, K.; Kuschel, O.; Pathé, N.; Schemme, T.; Schmalhorst, J.; Thomas, A.; Arenholz, E.; Gorgoi, M.; Ovsyannikov, R.; Bartkowski, S.; Reiss, G.; Wollschläger, J.

    2016-07-01

    We study the underlying chemical, electronic, and magnetic properties of a number of magnetite-based thin films. The main focus is placed onto Fe3O4 (001)/NiO bilayers grown on MgO(001) and Nb-SrTiO3(001) substrates. We compare the results with those obtained on pure Fe3O4 (001) thin films. It is found that the magnetite layers are oxidized and Fe3 + dominates at the surfaces due to maghemite (γ -Fe2O3 ) formation, which decreases with increasing magnetite layer thickness. For layer thicknesses of around 20 nm and above, the cationic distribution is close to that of stoichiometric Fe3O4 . At the interface between NiO and Fe3O4 we find the Ni to be in a divalent valence state, with unambiguous spectral features in the Ni 2 p core level x-ray photoelectron spectra typical for NiO. The formation of a significant NiFe2O4 interlayer can be excluded by means of x-ray magnetic circular dichroism. Magneto-optical Kerr effect measurements reveal significant higher coercive fields compared to magnetite thin films grown on MgO(001), and an altered in-plane easy axis pointing in the <100 > direction. We discuss the spin magnetic moments of the magnetite layers and find that a thickness of 20 nm or above leads to spin magnetic moments close to that of bulk magnetite.

  16. Subsurface synthesis and characterization of Ag nanoparticles embedded in MgO.

    PubMed

    Vilayurganapathy, S; Devaraj, A; Colby, R; Pandey, A; Varga, T; Shutthanandan, V; Manandhar, S; El-Khoury, P Z; Kayani, Asghar; Hess, W P; Thevuthasan, S

    2013-03-01

    Metal nanoparticles exhibit a localized surface plasmon resonance (LSPR) which is very sensitive to the size and shape of the nanoparticle and the surrounding dielectric medium. The coupling between the electromagnetic radiation and the localized surface plasmon in metallic nanoparticles results in a sizable enhancement of the incident fields, making them possible candidates for plasmonic applications. In particular, partially exposed metallic nanoparticles distributed in a dielectric matrix can provide prime locations for LSPR spectroscopy and sensing. We report the synthesis and characterization of a plasmonic substrate consisting of Ag nanoparticles partially buried in MgO. Ag nanoparticles of different shapes and size distributions were synthesized below the surface of MgO by implanting 200 keV Ag(+) ions followed by annealing at 1000 °C for 10 and 30 h. A detailed optical and structural characterization was carried out to understand the evolution of the Ag nanoparticle and size distribution inside the MgO matrix. Micro x-ray diffraction (Micro-XRD) was employed to investigate the structural properties and estimate the crystallite size. The nanoparticles evolved from a spherical to a faceted morphology with annealing time, assuming an octahedral shape truncated at the (001) planes, as visualized from aberration-corrected transmission electron microscopy (TEM) images. The nanoparticles embedded in MgO were shown to be pure metallic Ag using atom probe tomography (APT). The nanoparticles were partially exposed to the surface by employing plasma etch techniques to remove the overlaying MgO. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were employed to study the surface morphology and obtain a height distribution for the partially exposed nanoparticles. PMID:23403363

  17. Subsurface synthesis and characterization of Ag nanoparticles embedded in MgO

    NASA Astrophysics Data System (ADS)

    Vilayurganapathy, S.; Devaraj, A.; Colby, R.; Pandey, A.; Varga, T.; Shutthanandan, V.; Manandhar, S.; El-Khoury, P. Z.; Kayani, Asghar; Hess, W. P.; Thevuthasan, S.

    2013-03-01

    Metal nanoparticles exhibit a localized surface plasmon resonance (LSPR) which is very sensitive to the size and shape of the nanoparticle and the surrounding dielectric medium. The coupling between the electromagnetic radiation and the localized surface plasmon in metallic nanoparticles results in a sizable enhancement of the incident fields, making them possible candidates for plasmonic applications. In particular, partially exposed metallic nanoparticles distributed in a dielectric matrix can provide prime locations for LSPR spectroscopy and sensing. We report the synthesis and characterization of a plasmonic substrate consisting of Ag nanoparticles partially buried in MgO. Ag nanoparticles of different shapes and size distributions were synthesized below the surface of MgO by implanting 200 keV Ag+ ions followed by annealing at 1000 °C for 10 and 30 h. A detailed optical and structural characterization was carried out to understand the evolution of the Ag nanoparticle and size distribution inside the MgO matrix. Micro x-ray diffraction (Micro-XRD) was employed to investigate the structural properties and estimate the crystallite size. The nanoparticles evolved from a spherical to a faceted morphology with annealing time, assuming an octahedral shape truncated at the (001) planes, as visualized from aberration-corrected transmission electron microscopy (TEM) images. The nanoparticles embedded in MgO were shown to be pure metallic Ag using atom probe tomography (APT). The nanoparticles were partially exposed to the surface by employing plasma etch techniques to remove the overlaying MgO. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were employed to study the surface morphology and obtain a height distribution for the partially exposed nanoparticles.

  18. Gallium-assisted growth of flute-like MgO nanotubes, Ga2O3-filled MgO nanotubes, and MgO/Ga2O3 co-axial nanotubes.

    PubMed

    Jie, Jiansheng; Wu, Chunyan; Yu, Yongqiang; Wang, Li; Hu, Zhizhong

    2009-02-18

    Flute-like MgO nanotubes were successfully synthesized via a simple thermal evaporation method by using Mg(3)N(2) and Ga(2)O(3) as the source materials. The nanotubes are single-crystal cubic MgO, and have [100] orientation. In contrast to conventional nanotubes with intact walls, the flute-like MgO nanotubes possess a unique porous structure. On the nanotubes there are series of holes aligned along the nanotube length with approximate equidistance. Ga(2)O(3)-filled MgO nanotubes and MgO/Ga(2)O(3) co-axial nanotubes were also found in the product. Further investigation confirms that the inner beta-Ga(2)O(3) has an epitaxial growth relation with the outer MgO nanotube due to their perfect lattice matching. A gallium-assisted growth mechanism was proposed to interpret the growth of the flute-like MgO nanotubes. The thermal expansion and evaporation of the filled liquid gallium in MgO nanotubes are likely responsible for the formation of the hole structures on the side walls.

  19. Nanodomain induced anomalous magnetic and electronic transport properties of LaBaCo{sub 2}O{sub 5.5+δ} highly epitaxial thin films

    SciTech Connect

    Ruiz-Zepeda, F.; Ma, C.; Bahena Uribe, D.; Cantu-Valle, J.; Wang, H.; Xu, Xing; Yacaman, M. J.; Ponce, A.; Chen, C.; Lorenz, B.; Jacobson, A. J.; Chu, P. C. W.

    2014-01-14

    A giant magnetoresistance effect (∼46% at 20 K under 7 T) and anomalous magnetic properties were found in a highly epitaxial double perovskite LaBaCo{sub 2}O{sub 5.5+δ} (LBCO) thin film on (001) MgO. Aberration-corrected Electron Microscopy and related analytical techniques were employed to understand the nature of these unusual physical properties. The as-grown film is epitaxial with the c-axis of the LBCO structure lying in the film plane and with an interface relationship given by (100){sub LBCO} || (001){sub MgO} and [001]{sub LBCO} || [100]{sub MgO} or [010]{sub MgO}. Orderly oxygen vacancies were observed by line profile electron energy loss spectroscopy and by atomic resolution imaging. Especially, oxygen vacancy and nanodomain structures were found to have a crucial effect on the electronic transport and magnetic properties.

  20. Thin Clouds

    Atmospheric Science Data Center

    2013-04-18

    ... their delicate appearance, thin, feathery clouds of ice crystals called cirrus may contribute to global warming. Some scientists ... July 9, 2002 - Thin, feathery clouds of ice crystals over the Caribbean Sea. project:  MISR ...

  1. Preparation and Basic Properties of BaTiO3-BaPbO3 Multilayer Thin Films by Metal-Alkoxides Method

    NASA Astrophysics Data System (ADS)

    Azuma, Takahiro; Takahashi, Sheiji; Kuwabara, Makoto

    1993-09-01

    Preferentially oriented barium titanate (BTO)-barium metaplumbate (BPO) multilayer thin films were prepared by the metal-alkoxides method on MgO single crystals. The BPO layer is an electrode for the BTO layer. Thin films were deposited on cleaved MgO (100) substrates by spin coating. A BTO film of 0.4 μm thickness on the BPO layer shows a dielectric constant of about 400 at room temperature. No formation of reaction phases between BTO and BPO, fired at 800°C to yield a well-crystallized BTO film, was detected in X-ray diffraction analysis.

  2. Optimized use of MgO flux in the agglomeration of high-chromium vanadium-titanium magnetite

    NASA Astrophysics Data System (ADS)

    Tang, Jue; Chu, Man-sheng; Xue, Xiang-xin

    2015-04-01

    The optimized use of MgO flux in the agglomeration of high-chromium vanadium-titanium magnetite was investigated systematically through sinter and pellet experiments. MgO was added in the form of magnesite. When the content of MgO in the sinter was increased from 1.95wt% to 2.63wt%, the low-temperature reduction degradation index increased from 80.57% to 82.71%. When the content of MgO in the pellet was increased from 1.14wt% to 2.40wt%, the reduction swelling index decreased from 15.2% to 8.6%; however, the compressive strength of the oxidized pellet decreased dramatically and it was 1985 N with an MgO content of 1.14wt%. This compressive strength does not satisfy the requirements for blast-furnace production. When all of the aforementioned results were taken into account, the sinter with a high MgO content (2.63wt%) matching the pellet with a low MgO content (less than 1.14wt%) was the rational burden structure for smelting high-chromium vanadium-titanium magnetite in blast furnaces.

  3. X-ray diffraction study of the optimization of MgO growth conditions for magnetic tunnel junctions

    SciTech Connect

    O, Se Young; Lee, Chan-Gyu; Shapiro, Alexander J.; Egelhoff, William F. Jr.; Mallett, Jonathan; Pong, Philip W. T.; Vaudin, Mark D.; Ruglovsky, Jennifer L.

    2008-04-01

    We have carried out a systematic study optimizing the MgO growth via preparation and sputtering conditions and underlayer structures. It was found that to prevent water vapor which is detrimental to MgO (200) growth, the chamber pressure needs to be reduced below 10{sup -8} Torr. Simple underlayers such as 5 nm CoFeB tend to give better MgO, but we have also succeeded in growing MgO on more complicated underlayers such as 1 Ta/20 Au/5 Co{sub 40}Fe{sub 40}B{sub 20} and 1 Ta/20 conetic (Ni{sub 77}Fe{sub 14}Cu{sub 5}Mo{sub 4})/1.5 Co{sub 40}Fe{sub 40}B{sub 20} (units in nanometers). We accomplished this by extensive baking of the deposition chamber and use of Ti-getter films. Short sputtering distance and high sputtering power were found to optimize MgO deposition. We found that both preparation and sputtering conditions have important effects on the MgO growth. X-ray diffraction analysis was used as the characterization tool for optimizing the MgO growth conditions.

  4. Thermodynamic calculation of the ZrO sub 2 -YO sub 1. 5 -MgO system

    SciTech Connect

    Yong, D.; Zhanpeng, J.; Peiyun, H. )

    1991-09-01

    This paper reports on a thermodynamic evaluation of the ZrO{sub 2}-MgO system that has been developed and combined with previous assessments of the ZrO{sub 2}-YO{sub 1.5} and YO{sub 1.5}-MgO systems to describe the ZrO{sub 2}-YO{sub 1.5}-MgO system by means of Bonnier's equation. The calculated results are shown by isothermal and vertical sections, a projection of the liquidus surfaces, and the reaction scheme. Comparisons between calculated and experimental diagrams demonstrate that the calculations satisfactorily account for most of the available experimental data.

  5. Oxidation and growth of Mg thin films on Ru(001)

    NASA Astrophysics Data System (ADS)

    Huang, H. H.; Jiang, X.; Siew, H. L.; Chin, W. S.; Sim, W. S.; Xu, G. Q.

    1999-08-01

    The oxidation and growth of ultra-thin Mg films on a Ru(001) substrate have been studied using X-ray photoelectron spectroscopy (XPS) and thermal desorption spectroscopy (TDS) in the temperature range of 300-1500 K. Our results suggest that the growth of Mg thin films follows a layer-by-layer mode. Upon oxygen adsorption at 300 K, two O 1s peaks were detected on the Mg film. The peak at 532.2-532.6 eV could be attributed to either dioxygen or partially reduced species (O δ-, δ<2), whereas that at 530.1-530.6 eV is due to lattice oxygen in MgO. Annealing of the oxidized film to 800 K causes the conversion of the dioxygen or partially reduced species to the oxide state. Thermal desorption peaks of MgO were directly detected at 1000-1127 and 1350-1380 K, respectively. However, initial evaporation of Mg atoms onto an oxygen pre-adsorbed surface yields a fully oxidized MgO. Further Mg deposition results in the formation of a partially oxidized film with the observation of an O 1s peak at 532.2 eV.

  6. Influence of Basicity and MgO on Fluidity and Desulfurization Ability of High Aluminum Slag

    NASA Astrophysics Data System (ADS)

    Wang, Ping; Meng, Qing-min; Long, Hong-ming; Li, Jia-xin

    2016-08-01

    The viscosity of experimental slag, which was mixed based on the composition of a practical blast furnace slag, was measured in this paper. The influence of Al2O3 and MgO content, basicity R2 = w(CaO)/w(SiO2) on the fluidity of slag was studied. The stepwise regression analysis in SPSS was used to reveal the relationship between sulfur distribution coefficient LS and slag composition as well as furnace temperature. The results show that increasing of MgO up to 12% can decrease the slag viscosity. The w(MgO) should be controlled below 8% when there is 20% Al2O3 in the slag. Temperature of hot metal and content of CaO in slag are the two dominant factors on the desulfurization capacity of slag.

  7. Effect of mass disorder on the lattice thermal conductivity of MgO periclase under pressure.

    PubMed

    Dalton, Douglas Allen; Hsieh, Wen-Pin; Hohensee, Gregory T; Cahill, David G; Goncharov, Alexander F

    2013-01-01

    Thermal conductivity of mantle materials controlling the heat balance and thermal evolution of the Earth remains poorly constrained as the available experimental and theoretical techniques are limited in probing minerals under the relevant conditions. We report measurements of thermal conductivity of MgO at high pressure up to 60 GPa and 300 K via diamond anvil cells using the time-domain thermoreflectance technique. These measurements are complemented by model calculations which take into account the effect of temperature and mass disorder of materials within the Earth. Our model calculations agree with the experimental pressure dependencies at 300 and 2000 K for MgO. Furthermore, they predict substantially smaller pressure dependence for mass disordered materials as the mechanism of scattering changes. The calculated thermal conductivity at the core-mantle boundary is smaller than the majority of previous predictions resulting in an estimated total heat flux of 10.4 TW, which is consistent with modern geomodeling estimates.

  8. Ion beam-induced changes in optical properties of MgO

    SciTech Connect

    Qian, Y.; Ila, D.; He, K.X.; Curley, M.; Poker, D.B.; Boatner, L.A.

    1995-12-31

    The implantation of Ag into MgO (100) single crystals, followed by thermal annealing at 1,100 C, leads to dramatic changes in their optical properties. The changes in the optical properties are due to the presence of small Ag clusters which are formed in the annealed samples. The small Ag clusters are obtained by thermal annealing of the implanted MgO crystals between 600 C and 1,100 C to investigate the changes in cluster sizes and to correlate with changes in their optical properties. Sample characterization is carried out using optical spectrophotometry to confirm the effective presence of Ag clusters and Rutherford Backscattering Spectrometry (RBS) to study the profile of Ag clusters.

  9. Giant magnetic anisotropy of Co, Ru, and Os adatoms on MgO (001) surface

    NASA Astrophysics Data System (ADS)

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

    Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I.G. Rau et al., Science 344, 988 (2014)] that individual Co adatom on MgO (001) surface has a large MAE of more than 60 meV. More importantly, we predict that a giant MAE up to 110 meV could be realized for Ru adatoms on MgO (001), and even more for the Os adatoms (208 meV). This is a joint effect of the special ligand field, orbital multiplet, and significant spin-orbit interaction, in the intermediate-spin state of the Ru or Os adatoms on top of the surface oxygens. The giant MAE could provide a route to atomic scale memory.

  10. Giant Magnetic Anisotropy of Co, Ru, and Os Adatoms on MgO (001) Surface

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I. G. Rau et al., Science 344, 988 (2014)] that an individual Co adatom on a MgO (001) surface has a large MAE of more than 60 meV. More importantly, we predict that a giant MAE up to 110 meV could be realized for Ru adatoms on MgO (001), and even more for the Os adatoms (208 meV). This is a joint effect of the special ligand field, orbital multiplet, and significant spin-orbit interaction, in the intermediate-spin state of the Ru or Os adatoms on top of the surface oxygens. The giant MAE could provide a route to atomic scale memory.

  11. Stability and capping of magnetite ultra-thin films

    NASA Astrophysics Data System (ADS)

    Fleischer, K.; Mauit, O.; Shvets, I. V.

    2014-05-01

    Ultrathin films of Fe3O4 have been grown epitaxially on nearly lattice matched MgO(001). The stability of 4 nm thick films in ambient air and under annealing in an oxygen atmosphere at 200 °C has been studied. By magneto optical and Raman measurements, we can confirm the presence of the Fe3O4 phase and the formation of a maghemite top layer passivating the Fe3O4 thin film. In a second step, we are able to demonstrate that this top layer oxidation in ambient air can be prevented by a 2 nm thick magnesium ferrite passivation layer, while a thicker 20 nm MgO layer prevents oxidation even at elevated temperatures.

  12. O(minus 2) grain boundary diffusion and grain growth in pure dense MgO

    NASA Technical Reports Server (NTRS)

    Kapadia, C. M.; Leipold, M. H.

    1973-01-01

    Grain growth behavior in fully dense compacts of MgO of very high purity was studied, and the results compared with other similar behaving materials. The activation energy for the intrinsic self-diffusion of Mg(2minus) is discussed along with the grain boundary diffusion of O(2minus). Grain boundary diffusion of O(2minus) is proposed as the controlling mechanism for grain growth.

  13. The phase diagram and transport properties of MgO from theory and experiment

    NASA Astrophysics Data System (ADS)

    Shulenburger, Luke

    2013-06-01

    Planetary structure and the formation of terrestrial planets have received tremendous interest due to the discovery of so called super-earth exoplanets. MgO is a major constituent of Earth's mantle, the rocky cores of gas giants and is a likely component of the interiors of many of these exoplanets. The high pressure - high temperature behavior of MgO directly affects equation of state models for planetary structure and formation. In this work, we examine MgO under extreme conditions using experimental and theoretical methods to determine its phase diagram and transport properties. Using plate impact experiments on Sandia's Z facility the solid-solid phase transition from B1 to B2 is clearly determined. The melting transition, on the other hand, is subtle, involving little to no signal in us-up space. Theoretical work utilizing density functional theory (DFT) provides a complementary picture of the phase diagram. The solid-solid phase transition is identified through a series of quasi-harmonic phonon calculations and thermodynamic integration, while the melt boundary is found using phase coexistence calculations. One issue of particular import is the calculation of reflectivity along the Hugoniot and the influence of the ionic structure on the transport properties. Particular care is necessary because of the underestimation of the band gap and attendant overestimation of transport properties due to the use of semi-local density functional theory. We will explore the impact of this theoretical challenge and its potential solutions in this talk. The integrated use of DFT simulations and high-accuracy shock experiments together provide a comprehensive understanding of MgO under extreme conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  14. Very low 1/f barrier noise in sputtered MgO magnetic tunnel junctions with high tunneling magnetoresistance

    SciTech Connect

    Feng, J. F.; Chen, J. Y.; Kurt, H.; Coey, J. M. D.

    2012-12-15

    Low frequency 1/f barrier noise has been investigated in sputtered MgO magnetic tunnel junctions (MTJs) with a tunneling magnetoresistance ratio of up to 330% at room temperature. The lowest normalized noise parameter {alpha} of the tunnel barrier reaches 2.5 Multiplication-Sign 10{sup -12}-2.1 Multiplication-Sign 10{sup -11} {mu}m{sup 2}, which is comparable to that found in MTJs with the MgO barrier grown by MBE or electron-beam evaporation. This normalized barrier noise is almost bias independent in the voltage range of up to {+-}1.2 V. The low noise level and high voltage stability may reflect the high quality of the sputtered MgO with a uniform distribution of defects in the MgO layer.

  15. Selectivity to olefins of Fe/SiO{sub 2}-MgO catalysts in the Fischer-Tropsch reaction

    SciTech Connect

    Gallegos, N.G.; Alvarez, A.M.; Cagnoli, M.V.; Bengoa, J.F.

    1996-06-01

    SiO{sub 2} covered with MgO has been used as support of iron catalysts in the Fischer-Tropsch reaction. Catalysts of 5% (w/w) iron concentration and 2, 4, and 8% (w/w) of MgO on SiO{sub 2} were prepared. Selective chemisorption of CO, volumetric oxidation, and Moessbauer spectroscopy were used to characterize the type of iron species and the metallic crystal sizes. MgO covers the SiO{sub 2} surface and modifies the metallic crystal size. The activity to total hydrocarbons increases with the amount of MgO added. An optimal concentration of about 4% (w/w) was found to have the highest selectivity to olefins. 45 refs., 13 figs., 3 tabs.

  16. A comparative study of the number and mass of fine particles emitted with diesel fuel and marine gas oil (MGO)

    NASA Astrophysics Data System (ADS)

    Nabi, Md. Nurun; Brown, Richard J.; Ristovski, Zoran; Hustad, Johan Einar

    2012-09-01

    The current investigation reports on diesel particulate matter emissions, with special interest in fine particles from the combustion of two base fuels. The base fuels selected were diesel fuel and marine gas oil (MGO). The experiments were conducted with a four-stroke, six-cylinder, direct injection diesel engine. The results showed that the fine particle number emissions measured by both SMPS and ELPI were higher with MGO compared to diesel fuel. It was observed that the fine particle number emissions with the two base fuels were quantitatively different but qualitatively similar. The gravimetric (mass basis) measurement also showed higher total particulate matter (TPM) emissions with the MGO. The smoke emissions, which were part of TPM, were also higher for the MGO. No significant changes in the mass flow rate of fuel and the brake-specific fuel consumption (BSFC) were observed between the two base fuels.

  17. Lattice thermal conductivity of MgO at conditions of Earth’s interior

    PubMed Central

    Tang, Xiaoli; Dong, Jianjun

    2010-01-01

    Thermal conductivity of the Earth’s lower mantle greatly impacts the mantle convection style and affects the heat conduction from the core to the mantle. Direct laboratory measurement of thermal conductivity of mantle minerals remains a technical challenge at the pressure-temperature (P-T) conditions relevant to the lower mantle, and previously estimated values are extrapolated from low P-T data based on simple empirical thermal transport models. By using a numerical technique that combines first-principles electronic structure theory and Peierls–Boltzmann transport theory, we predict the lattice thermal conductivity of MgO, previously used to estimate the thermal conductivity in the Earth, at conditions from ambient to the core-mantle boundary (CMB). We show that our first-principles technique provides a realistic model for the P-T dependence of lattice thermal conductivity of MgO at conditions from ambient to the CMB, and we propose thermal conductivity profiles of MgO in the lower mantle based on geotherm models. The calculated conductivity increases from 15 –20 W/K-m at the 670 km seismic discontinuity to 40 –50 W/K-m at the CMB. This large depth variation in calculated thermal conductivity should be included in models of mantle convection, which has been traditionally studied based on the assumption of constant conductivity. PMID:20176973

  18. Two-band luminescence from an intrinsic defect in spherical and terraced MgO nanoparticles

    NASA Astrophysics Data System (ADS)

    Pikhitsa, Peter V.; Kim, Changhyuk; Chae, Sukbyung; Shin, Seungha; Jung, Sekwon; Kitaura, Mamoru; Kimura, Shin-ichi; Fukui, Kazutoshi; Choi, Mansoo

    2015-05-01

    Luminescent defect centers in wide bandgap materials such as MgO are of great interest for science and technology. Magnesium oxide nanocubes obtained by the self-combustion of Mg metal have long exhibited only a broad 2.9 eV cathodoluminescence band owing to oxygen vacancies (F centers). However, in this work, a room-temperature ultraviolet 4.8 eV cathodoluminescence band has been observed coincident with a 2.5 eV band of the same intensity from an unexplored intrinsic defect in MgO terraced nanocubes and nanospheres produced from Mg metal combustion in an H2/O2 flame. Synchrotron radiation excitation spectra reveal that the excitation energy at the onset of both bands is just above the bandgap energy of 7.7 eV, where electrons and holes are generated. We determine that a defect, responsible for both emission bands, creates proximal anion-cation vacancy pairs named P centers that may appear instead of F centers because of changes in the MgO nanoparticle growth conditions.

  19. Modelling the rheology of MgO under Earth's mantle pressure, temperature and strain rates.

    PubMed

    Cordier, Patrick; Amodeo, Jonathan; Carrez, Philippe

    2012-01-12

    Plate tectonics, which shapes the surface of Earth, is the result of solid-state convection in Earth's mantle over billions of years. Simply driven by buoyancy forces, mantle convection is complicated by the nature of the convecting materials, which are not fluids but polycrystalline rocks. Crystalline materials can flow as the result of the motion of defects--point defects, dislocations, grain boundaries and so on. Reproducing in the laboratory the extreme deformation conditions of the mantle is extremely challenging. In particular, experimental strain rates are at least six orders of magnitude larger than in nature. Here we show that the rheology of MgO at the pressure, temperature and strain rates of the mantle is accessible by multiscale numerical modelling starting from first principles and with no adjustable parameters. Our results demonstrate that extremely low strain rates counteract the influence of pressure. In the mantle, MgO deforms in the athermal regime and this leads to a very weak phase. It is only in the lowermost lower mantle that the pressure effect could dominate and that, under the influence of lattice friction, a viscosity of the order of 10(21)-10(22) pascal seconds can be defined for MgO. PMID:22237109

  20. Two-band luminescence from an intrinsic defect in spherical and terraced MgO nanoparticles

    SciTech Connect

    Pikhitsa, Peter V. E-mail: mchoi@snu.ac.kr; Kim, Changhyuk; Chae, Sukbyung; Shin, Seungha; Jung, Sekwon; Choi, Mansoo E-mail: mchoi@snu.ac.kr; Kitaura, Mamoru; Kimura, Shin-ichi; Fukui, Kazutoshi

    2015-05-04

    Luminescent defect centers in wide bandgap materials such as MgO are of great interest for science and technology. Magnesium oxide nanocubes obtained by the self-combustion of Mg metal have long exhibited only a broad 2.9 eV cathodoluminescence band owing to oxygen vacancies (F centers). However, in this work, a room-temperature ultraviolet 4.8 eV cathodoluminescence band has been observed coincident with a 2.5 eV band of the same intensity from an unexplored intrinsic defect in MgO terraced nanocubes and nanospheres produced from Mg metal combustion in an H{sub 2}/O{sub 2} flame. Synchrotron radiation excitation spectra reveal that the excitation energy at the onset of both bands is just above the bandgap energy of 7.7 eV, where electrons and holes are generated. We determine that a defect, responsible for both emission bands, creates proximal anion-cation vacancy pairs named P centers that may appear instead of F centers because of changes in the MgO nanoparticle growth conditions.

  1. Modification of diffusion coefficients in MgO(100) through the chemical properties of implanted ions

    NASA Astrophysics Data System (ADS)

    Lu, M.; Lupu, C.; Lee, S. M.; Rabalais, J. W.

    2001-07-01

    Ti bulk diffusion coefficients have been determined for Ti in single crystal MgO(100) for four types of samples: Ti evaporated onto MgO and Ti evaporated onto MgO that was pre-bombarded with 7 keV Cl+, Ar+, and Cr+, respectively. Diffusion was induced by annealing to 1000 °C following the evaporation or pre-bombardment. Diffusion penetration profiles were obtained by using secondary ion mass spectrometry depth profiling techniques. A model that includes a depth-dependent bulk diffusion coefficient was used to analyze the observed radiation enhanced diffusion (RED) effects. The bulk diffusion coefficients are of the order of 10-20 m2/s and are enhanced due to the defect structure inflected by the ion pre-bombardment. Different RED effects for the samples pre-bombarded with Cl+, Ar+, and Cr+ were observed despite their very similar ballistic implantation parameters. The diffusion model was extended to include the effects of lattice deformation, requirement of electrical neutrality, and chemical effects such as volatile compound formation. This extended model satisfactorily explains the RED differences observed for Cl+, Ar+, and Cr+ implantation. Our results show that RED is strongly influenced by the chemical properties of implanted ions.

  2. Spin pumping in magnetic trilayer structures with an MgO barrier

    PubMed Central

    Baker, A. A.; Figueroa, A. I.; Pingstone, D.; Lazarov, V. K.; van der Laan, G.; Hesjedal, T.

    2016-01-01

    We present a study of the interaction mechanisms in magnetic trilayer structures with an MgO barrier grown by molecular beam epitaxy. The interlayer exchange coupling, Aex, is determined using SQUID magnetometry and ferromagnetic resonance (FMR), displaying an unexpected oscillatory behaviour as the thickness, tMgO, is increased from 1 to 4 nm. Transmission electron microscopy confirms the continuity and quality of the tunnelling barrier, eliminating the prospect of exchange arising from direct contact between the two ferromagnetic layers. The Gilbert damping is found to be almost independent of the MgO thickness, suggesting the suppression of spin pumping. The element-specific technique of x-ray detected FMR reveals a small dynamic exchange interaction, acting in concert with the static interaction to induce coupled precession across the multilayer stack. These results highlight the potential of spin pumping and spin transfer torque for device applications in magnetic tunnel junctions relying on commonly used MgO barriers. PMID:27752117

  3. Thermoelectric properties of epitaxial ScN films deposited by reactive magnetron sputtering onto MgO(001) substrates

    SciTech Connect

    Burmistrova, Polina V.; Rui Koh, Yee; Lundstrom, Mark S.; Maassen, Jesse; Salamat, Shuaib; Favaloro, Tela; Saha, Bivas; Shakouri, Ali; Sands, Timothy D.

    2013-04-21

    Epitaxial ScN(001) thin films were grown on MgO(001) substrates by dc reactive magnetron sputtering. The deposition was performed in an Ar/N{sub 2} atmosphere at 2 Multiplication-Sign 10{sup -3} Torr at a substrate temperature of 850 Degree-Sign C in a high vacuum chamber with a base pressure of 10{sup -8} Torr. In spite of oxygen contamination of 1.6 {+-} 1 at. %, the electrical resistivity, electron mobility, and carrier concentration obtained from a typical film grown under these conditions by room temperature Hall measurements are 0.22 m{Omega} cm, 106 cm{sup 2} V{sup -1} s{sup -1}, and 2.5 Multiplication-Sign 10{sup 20} cm{sup -3}, respectively. These films exhibit remarkable thermoelectric power factors of 3.3-3.5 Multiplication-Sign 10{sup -3} W/mK{sup 2} in the temperature range of 600 K to 840 K. The cross-plane thermal conductivity is 8.3 W/mK at 800 K yielding an estimated ZT of 0.3. Theoretical modeling of the thermoelectric properties of ScN calculated using a mean-free-path of 23 nm at 300 K is in very good agreement with the experiment. These results also demonstrate that further optimization of the power factor of ScN is possible. First-principles density functional theory combined with the site occupancy disorder technique was used to investigate the effect of oxygen contamination on the electronic structure and thermoelectric properties of ScN. The computational results suggest that oxygen atoms in ScN mix uniformly on the N site forming a homogeneous solid solution alloy. Behaving as an n-type donor, oxygen causes a shift of the Fermi level in ScN into the conduction band without altering the band structure and the density of states.

  4. Reel-to-reel deposition of epitaxial double-sided MgO buffer layers for coated conductors

    NASA Astrophysics Data System (ADS)

    Xue, Yan; Xiong, Jie; Zhang, Yahui; Zhang, Fei; Zhao, Rui-Peng; Hui, Wang; Wang, Quiling; Cheng, Guo; Zhao, Xiao-Hui; Tao, Bo-Wan

    2016-06-01

    We have successfully employed a double-sided process to deposit MgO buffer layers on both sides of amorphous Y2O3 surface for double-sided YBa2Cu3O7-δ (YBCO) coated conductors (CCs) for the first time, the structure of which is of great prospect to improve the performance and cut the production cost. The biaxial textures of MgO buffer layer are noticeably affected by the ion energy and film thickness, which is demonstrated by X-ray diffraction. The best biaxial texture of double-sided MgO films shows ω-scan of (002) MgO and Φ-scan of (220) MgO yield full width at half maximum values of 4° and 7.8° for one side, respectively, as well as 3.5° and 6.7° for the other side. The subsequent double-sided YBCO films are deposited on the as-prepared MgO template with entire critical current of over 300 A/cm for both sides.

  5. Assimilation Behavior of Calcium Ferrite and Calcium Diferrite with Sintered Al2O3 and MgO

    NASA Astrophysics Data System (ADS)

    Long, Hongming; Wu, Xuejian; Chun, Tiejun; Di, Zhanxia; Yu, Bin

    2016-10-01

    In this study, the assimilation behaviors between calcium ferrite (CF), calcium diferrite (CF2) and sintered Al2O3, and MgO were explored by an improved sessile drop technique, and the interfacial microstructure was discussed. The results indicated that the apparent contact angles of CF slag on Al2O3 and MgO substrate were 15.7 and 5.5 deg, and the apparent contact angles of CF2 slag on Al2O3 and MgO substrate were 17.9 and 7.2 deg, respectively. Namely, CF and CF2 slag were wetting well with Al2O3 and MgO substrate. The dissolution of Al2O3 substrate into the CF and CF2 slag was found to be the driving force of the wetting process. For the CF-MgO and CF2-MgO substrate systems, CaO contrarily distributed with MgO after wetting. For the CF-MgO system, after wetting, the slag was composed of CF and C2F, and most of the Fe2O3 permeated into substrate and formed two permeating layers.

  6. Enhancement of electric-field-induced change of magnetic anisotropy by interface engineering of MgO magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Bonaedy, Taufik; Choi, Jun Woo; Jang, Chaun; Min, Byoung-Chul; Chang, Joonyeon

    2015-06-01

    Electric-field-induced modification of magnetic anisotropy is studied using tunnel magnetoresistance of the Co40Fe40B20/ MgO/ Co40Fe40B20 and Co40Fe40B20/ Hf (0.08 nm)/ MgO/ Co40Fe40B20 magnetic tunnel junctions. In both systems, the interfacial perpendicular magnetic anisotropy is increased with increasing electron density at the MgO interface. A quantitative comparison between the two systems reveals that the change of magnetic anisotropy energy with electric field is significantly enhanced in Co40Fe40B20/ Hf/ MgO/ Co40Fe40B20 compared to Co40Fe40B20/ MgO/ Co40Fe40B20. The sub-monolayer Hf insertion at the Co40Fe40B20/MgO interface turns out to be critical to the enhanced electric field control of the magnetic anisotropy, indicating the interface sensitive nature of the effect.

  7. Structural, compositional, mechanical characterization and biological assessment of bovine-derived hydroxyapatite coatings reinforced with MgF2 or MgO for implants functionalization.

    PubMed

    Mihailescu, Natalia; Stan, G E; Duta, L; Chifiriuc, Mariana Carmen; Bleotu, Coralia; Sopronyi, M; Luculescu, C; Oktar, F N; Mihailescu, I N

    2016-02-01

    Hydroxyapatite (HA) is a consecrated biomaterial for bone reconstruction. In the form of thin films deposited by pulsed laser technologies, it can be used to cover metallic implants aiming to increase biocompatibility and osseointegration rate. HA of animal origin (bovine, BHA) reinforced with MgF2 (2wt.%) or MgO (5wt.%) were used for deposition of thin coatings with improved adherence, biocompatibility and antimicrobial activity. For pulsed laser deposition experiments, a KrF* (λ=248nm, τFWHM≤25ns) excimer laser source was used. The deposited structures were characterized from a physical-chemical point of view by X-Ray Diffraction, Fourier Transform Infra-Red Spectroscopy, Scanning Electron Microscopy in top- and cross-view modes, Energy Dispersive X-Ray Spectroscopy and Pull-out adherence tests. The microbiological assay using the HEp-2 cell line revealed that all target materials and deposited thin films are non-cytotoxic. We conducted tests on three strains isolated from patients with dental implants failure, i.e. Microccocus sp., Enterobacter sp. and Candida albicans sp. The most significant anti-biofilm effect against Microcococcus sp. strain, at 72h, was obtained in the presence of BHA:MgO thin films. For Enterobacter sp. strain a superior antimicrobial activity at 72h was noticed, in respect with simple BHA or Ti control. The enhanced antimicrobial performances, correlated with good cytocompatibility and mechanical properties recommend these biomaterials as an alternative to synthetic HA for the fabrication of reliable implant coatings for dentistry and other applications. PMID:26652442

  8. Observation of radio frequency ring-shaped hollow cathode discharge plasma with MgO and Al electrodes for plasma processing

    SciTech Connect

    Ohtsu, Yasunori Matsumoto, Naoki

    2014-05-15

    Various high-density plasma sources have been proposed for plasma processing. Especially, the hollow cathode discharge is one of the powerful ones. In this work, radio-frequency (RF) driven ring-shaped hollow cathode discharges with high secondary-electron emission have been investigated, using an aluminum (Al) cathode, coated or not with magnesium oxide (MgO). The thickness of MgO thin film is approximately 200 nm. The RF discharge voltage for the coated cathode is almost the same as that for the uncoated one, in a wide range of Ar gas pressure, from 5.3 to 53.2 Pa. The results reveal that the plasma density has a peak at an Ar gas pressure of 10.6 Pa for both cathodes. The plasma density for the coated cathode is about 1.5–3 times higher than that for the uncoated one, at various gas pressures. To the contrary, the electron temperature for the coated cathode is lower than temperature obtained with the uncoated cathode, at various gas pressures. Radial profiles of electron saturation current, which is proportional to plasma flux, are also examined for a wide range of gas pressure. Radial profiles of electron temperature at various axial positions are almost uniform for both cathodes so that the diffusion process due to density gradient is dominant for plasma transport. The secondary electrons emitted from the coated cathode contribute to the improvement of the plasma flux radial profile obtained using the uncoated cathode.

  9. The role of strain and structure on oxygen ion conduction in nanoscale zirconia and ceria thin films

    NASA Astrophysics Data System (ADS)

    Jiang, Jun

    Solid oxide fuel cells (SOFCs), an all solid-state energy conversion device, are promising for their high efficiency and materials stability. The solid oxide electrolytes are a key component that must provide high ionic conductivity, which is especially challenging for intermediate temperature SOFCs operating between 500 °C - 700 °C. Doped zirconia and ceria are the most common solid electrolyte materials. Recent reports have suggested that nanoscale ytrria stabilized zirconia (YSZ) thin films may provide better performance in this regard. However, the mechanism behind the increased conductivity of nanoscale thin films is still unclear and the reported experimental results are controversial. In the thesis presented here, the effects of mechanical strain and microstructure on the ionic conductivity have been investigated in ultrathin zirconia- and ceria-based thin films. Reactive RF co-sputtering with metal targets was used to prepare zirconia and ceria based thin films for high purity, modulated composition and thickness. The films were as thin as 10-20 atomic layers thick. X-ray photoelectron spectroscopy, X-ray diffraction and transmission electron microscopy were the main tools to investigate the composition, crystal orientation and microstructure of these sputtered thin films. Microscale interdigitated Pt electrodes were prepared through a lift-off process using photolithography. The electrochemical properties of these sputtered doped zirconia and ceria thin films were investigated using impedance spectroscopy. YSZ thin films deposited on MgO (111) and, especially, MgO (100) showed highly variable crystal orientations, while MgO (110) offered much more stable growth. Regardless of whether the growth was epitaxial or highly disordered polycrystalline, 50 nm thick YSZ thin films on MgO (100), (110), and (111) substrates exhibited similar conductivity with YSZ single crystal. While decreasing the thickness further to 12 nm, the conductivities of YSZ thin films

  10. The effects of substrate surface structure on yttria-stabilized zirconia thin films

    NASA Astrophysics Data System (ADS)

    Jiang, Jun; Clark, Daniel; Shen, Weida; Hertz, Joshua L.

    2014-02-01

    Thin film properties can be controlled to a large degree by the substrate upon which the film is grown. The substrate surface can affect the film's crystal phase and microstructure and, thereby, many other properties. In this study, yttria-stabilized zirconia films on single crystal MgO and Al2O3 substrates with polished, ion cleaned, or milled surfaces were studied. The different substrate surfaces influenced the thin films' microstructures and ionic conductivities. The increased roughness of the milled surfaces led to significant decreases in both the crystallinity and the ionic conductivity of the films. Ion cleaning of the substrate surface immediately before deposition did not affect the conductivity of films on MgO substrates but led to conductivity reductions by a factor of about 4 on sapphire substrates.

  11. Electric breakdown in ultrathin MgO tunnel barrier junctions for spin-transfer torque switching

    SciTech Connect

    Schaefers, M.; Drewello, V.; Reiss, G.; Thomas, A.; Thiel, K.; Eilers, G.; Muenzenberg, M.; Schuhmann, H.; Seibt, M.

    2009-12-07

    Magnetic tunnel junctions for spin-transfer torque (STT) switching are prepared to investigate the dielectric breakdown. Intact and broken tunnel junctions are characterized by transport measurements prior to transmission electron microscopy analysis. The comparison to our previous model for thicker MgO tunnel barriers reveals a different breakdown mechanism arising from the high current densities in a STT device: instead of local pinhole formation at a constant rate, massive electromigration and heating leads to displacement of the junction material and voids are appearing. This is determined by element resolved energy dispersive x-ray spectroscopy and three dimensional tomographic reconstruction.

  12. In situ investigation of the mobility of small gold clusters on cleaved MgO surfaces

    NASA Technical Reports Server (NTRS)

    Metois, J. J.; Heinemann, K.; Poppa, H.

    1976-01-01

    The mobility of small clusters of gold (about 10 A in diameter) on electron-beam-cleaved MgO surfaces was studied by in situ transmission electron microscopy under controlled vacuum and temperature conditions. During the first 10 min following a deposition at room temperature, over 10 per cent of the crystallites moved over short distances (about 20 A) discontinuously, with a velocity greater than 150 A/sec. Eighty per cent of the mobility events were characterized by the avoidance of proximity of other crystallites, and this was tentatively explained as the result of repulsive elastic forces between the interacting crystallites.

  13. Determination of dosimetric properties of MgO doped natural amethyst samples.

    PubMed

    Nur, N; Guckan, V; Kizilkaya, N; Depci, T; Ahmedova, C; Yucel, A; Ozdemir, A; Altunal, V; Koc, V; Yegingil, Z

    2016-10-01

    In this paper, the thermoluminescence (TL) dosimetric characteristics of MgO doped natural amethyst samples (Mg-NA) are presented. The morphologies and chemical structures of the powder form samples were identified using XRD, FTIR, SEM, SEM mapping and EDX. Comparison of the TL intensities showed that 10wt% Mg-NA was nearly 150 times more sensitive than undoped amethyst and the main dosimetric properties proved that 10wt% Mg-NA may be a promising phosphor for clinical and radiotherapy purposes. PMID:27526353

  14. Effect of MgO and MnO on Phosphorus Utilization in P-Bearing Steelmaking Slag

    NASA Astrophysics Data System (ADS)

    Lin, Lu; Bao, Yan-Ping; Wang, Min; Li, Xiang

    2016-04-01

    In order to recycle the phosphorus in P-bearing converter slag and make it used as slag phosphate fertilizer, the effect of MgO and MnO in P-bearing steelmaking slag on phosphorus existence form, P2O5 solubility and magnetic separation behavior were researched systematically. The results show that the phosphorus in slag is mainly in the form of n2CaO · SiO2-3CaO · P2O5 (for short nC2S-C3P) solid solution in the P-rich phase for CaO-SiO2-FetO-P2O5-X (X stands for MgO and MnO, respectively). And the increasing of MgO and MnO content has no influence on precipitation of nC2S-C3P solid solution in slag, MnO and MgO mainly enter into RO phase and base phase to form MnFe2O4 and MgFe2O4, which has little effect on the P2O5 content of P-rich phase, so which has little effect on the degree of phosphorus enrichment and phosphorus occurrence form of the P-bearing slag. And adding MgO and MnO into CaO-SiO2-P2O5-Fe2O3 slag system can break the complex net structure formed by Si-O on certain degree, and also hinder the precipitation of β-Ca3(PO4)2 crystal with low citric acid solubility during the melting-cooling process. Therefore, adding appropriate MgO and MnO content into slag can improve the slag P2O5 solubility, but the effect of different amounts of MgO and MnO on the P2O5 solubility has little difference. Meanwhile, adding MgO and MnO into slag can improve the metallization of slag and magnetism of iron-rich phase, make the magnetic substances content increase and separation of phosphorus and iron incomplete, so it is adverse to phosphorus resources recovery from P-bearing slag by magnetic separation method. In order to recycle the phosphorus in P-bearing converter slag, the MgO and MnO content in the P-bearing slag should be controlled in the steelmaking process.

  15. Thermodynamics of O, N, and S in liquid Fe equilibrated with CaO-AI2O3-MgO slags

    NASA Astrophysics Data System (ADS)

    Inoue, Ryo; Suito, Hideaki

    1994-04-01

    Nitrogen and S distribution ratios between CaO-Al2O3-MgO slags and liquid Fe were measured at 1873 K as a function of Al (or Mg, Ca) content in metal, using CaO, MgO, and A12O3 crucibles. Based on the results for the solubility product of MgO, the equilibrium constant, K Mg , for the reaction MgO = Mg + O and the first-order interaction parameter, e {O/Mg} ( e {Mg/O}), were estimated to be log K Mg = -7.8 ± 0.2 and e {O/Mg} = -190 ± 60 ( e {Mg/O} = -290 ± 90), respectively. The activities of A12O3 at the slag compositions double-saturated with CaO/MgO, MgO/ MgO A12O3, and MgO Al2O3/CaO 2A12O3 components were obtained from the S distribution ratios between slag and metal, coupled with the reported values of sulfide capacities. Nitride capacities were also estimated from the N distribution ratios and the activities of A12O3.

  16. Properties of YBCO on LaMnO3-capped IBAD MgO-templates without Homo-epitaxial MgO layer.

    SciTech Connect

    Aytug, Tolga; Paranthaman, Mariappan Parans; Kim, Kyunghoon; Zhang, Yifei; Cantoni, Claudia; Zuev, Yuri L; Goyal, Amit; Thompson, James R; Christen, David K

    2009-01-01

    Previously, it has been well established that in an IBAD architecture for coated conductors, (1) LaMnO3 (LMO) buffer layers are structurally and chemically compatible with an underlying homo-epitaxial MgO layer and (2) high current density YBCO films can be grown on these LMO templates. In the present work, the homo-epi MgO layer has been successfully eliminated and a LMO cap layer was grown directly on the IBAD (MgO) template. The performance of the LMO/IBAD (MgO) samples has been qualified by depositing 1 m-thick YBCO coatings by pulsed laser deposition. Electrical transport measurements of YBCO films on the standard (with homo-epi MgO) and simplified (without homo-epi MgO) IBAD architectures were carried out. The angular dependencies of critical current density (Jc) are similar for both IBAD architectures. XRD measurements indicate good, c-axis aligned YBCO films. Transmission electron microscopy (TEM) images reveal that microstructures of YBCO/LMO/IBAD (MgO) and YBCO/LMO/homo-epi MgO/IBAD (MgO) templates are similar. These results demonstrate the strong potential of using LMO as a single cap layer directly on IBAD (MgO) for the development of a simplified IBAD architecture.

  17. Atomically Resolved Site-Isolated Catalyst on MgO: Mononuclear Osmium Dicarbonyls formed from Os3(CO)12

    SciTech Connect

    Aydin, Ceren; kulkarni, Apoorva; Chi, Miaofang; Browning, Nigel D.; Gates, Bruce C.

    2012-01-01

    Supported triosmium clusters, formed from Os{sub 3}(CO){sub 12} on MgO, were treated in helium at 548 K for 2 h, causing fragmentation of the cluster frame and the formation of mononuclear osmium dicarbonyls. The cluster breakup and the resultant fragmented species were characterized by infrared and X-ray absorption spectroscopies, and the fragmented species were imaged by scanning transmission electron microscopy. The spectra identify the surface osmium complexes as Os(CO){sub 2}{l_brace}O{sub support}{r_brace}{sub n} (n = 3 or 4) (where the braces denote support surface atoms). The images show site-isolated Os atoms in mononuclear osmium species on MgO. The intensity analysis on the images of the MgO(110) face showed that the Os atoms were located atop Mg columns. This information led to a model of the Os(CO){sub 2} on MgO(110), with the distances approximated as those determined by EXAFS spectroscopy, which are an average over the whole MgO surface; the results imply that these complexes were located at Mg vacancies.

  18. Analysis of Waste Isolation Pilot Plan (WIPP) Underground and MGO Samples by the Savannah River National Laboratory (SRNL)

    SciTech Connect

    Young, J.; Ajo, H.; Brown, L.; Coleman, C.; Crump, S.; Diprete, C.; Diprete, D.; Ekechukwu, A.; Gregory, C.; Jones, M.; Missimer, D.; O'Rourke, P.; White, T.

    2014-12-31

    Analysis of the recent WIPP samples are summarized in this report; WIPP Cam Filters 4, 6, 9 (3, 7, 11 were analyzed with FAS-118 in a separate campaign); WIPP Drum Lip R16 C4; WIPP Standard Waste Box R15 C5; WIPP MgO R16 C2; WIPP MgO R16 C4; WIPP MgO R16 C6; LANL swipes of parent drum; LANL parent drum debris; LANL parent drum; IAEA Swipe; Unused “undeployed” Swheat; Unused “undeployed” MgO; and Masselin cloth “smears”. Analysis showed that the MgO samples were very pure with low carbonate and water content. Other samples showed the expected dominant presence of Mg, Na and Pb. Parent drum debris sample was mildly acidic. Interpretation of results is not provided in this document, but rather to present and preserve the analytical work that was performed. The WIPP Technical Analysis Team is responsible for result interpretation which will be written separately.

  19. YSZ thin films with minimized grain boundary resistivity.

    PubMed

    Mills, Edmund M; Kleine-Boymann, Matthias; Janek, Juergen; Yang, Hao; Browning, Nigel D; Takamura, Yayoi; Kim, Sangtae

    2016-04-21

    In recent years, interface engineering of solid electrolytes has been explored to increase their ionic conductivity and improve the performance of solid oxide fuel cells and other electrochemical power sources. It has been observed that the ionic conductivity of epitaxially grown thin films of some electrolytes is dramatically enhanced, which is often attributed to effects (e.g. strain-induced mobility changes) at the heterophase boundary with the substrate. Still largely unexplored is the possibility of manipulation of grain boundary resistivity in polycrystalline solid electrolyte films, clearly a limiting factor in their ionic conductivity. Here we report that the ionic conductivity of yttria stabilized zirconia thin films with nano-columnar grains grown on a MgO substrate nearly reaches that of the corresponding single crystal when the thickness of the films becomes less than roughly 8 nm (smaller by a factor of three at 500 °C). Using impedance spectroscopy, the grain boundary resistivity was probed as a function of film thickness. The resistivity of the grain boundaries near the film-substrate interface and film surface (within 4 nm of each) was almost entirely eliminated. This minimization of grain boundary resistivity is attributed to Mg(2+) diffusion from the MgO substrate into the YSZ grain boundaries, which is supported by time of flight secondary ion mass spectroscopy measurements. We suggest grain boundary "design" as an attractive method to obtain highly conductive solid electrolyte thin films.

  20. Origin of the giant magnetic moment in epitaxial Fe3O4 thin films

    NASA Astrophysics Data System (ADS)

    Orna, J.; Algarabel, P. A.; Morellón, L.; Pardo, J. A.; de Teresa, J. M.; López Antón, R.; Bartolomé, F.; García, L. M.; Bartolomé, J.; Cezar, J. C.; Wildes, A.

    2010-04-01

    We study the enhanced magnetic moment observed in epitaxial magnetite (Fe3O4) ultrathin films (t<15nm) grown on MgO (001) substrates by means of pulsed laser deposition. The Fe3O4 (001) thin films exhibit high crystallinity, low roughness, and sharp interfaces with the substrate, and the existence of the Verwey transition at thicknesses down to 4 nm. The evolution of the Verwey transition temperature with film thickness shows a dependence with the antiphase boundaries density. Superconducting quantum interference device (SQUID) and vibrating sample magnetometry measurements in ultrathin films show a magnetic moment much higher than the bulk magnetite value. In order to study the origin of this anomalous magnetic moment, polarized neutron reflectivity (PNR), and x-ray magnetic circular dichroism (XMCD) experiments have been performed, indicating a decrease in the magnetization with decreasing sample thickness. X-ray photoemission spectroscopy measurements show no metallic Fe clusters present in the magnetite thin films. Through inductively coupled plasma mass spectroscopy and SQUID magnetometry measurements performed in commercial MgO (001) substrates, the presence of Fe impurities embedded within the substrates has been observed. Once the substrate contribution has been corrected, a decrease in the magnetic moment of magnetite thin films with decreasing thickness is found, in good agreement with the PNR and XMCD measurements. Our experiments suggest that the origin of the enhanced magnetic moment is not intrinsic to magnetite but due to the presence of Fe impurities in the MgO substrates.

  1. Pulsed laser deposition of CdWO4 thin films

    NASA Astrophysics Data System (ADS)

    Kodu, M.; Avarmaa, T.; Jaaniso, R.; Leemets, K.; Mändar, H.; Nagirnyi, V.

    2016-10-01

    Thin CdWO4 films were produced on various substrates by pulsed laser deposition. A method of producing transparent films of high structural and optical quality on MgO substrate was developed. It is based on deposition of an amorphous film from a non-stoichiometric CdWO4-CdO target and a consequent crystallization of the film in oxygen atmosphere at 750 °C. The quality of the films produced was verified by x-ray diffraction, electron probe microanalysis, scanning electron microscopy, Raman and optical spectroscopy.

  2. Dynamical simulations of radiation damage and defect mobility in MgO

    SciTech Connect

    Uberuaga, B.P.; Smith, R.; Henkelman, G.; Voter, A.F.; Sickafus, K.E.; Cleave, A.R.; Grimes, R.W.

    2005-03-01

    Collision cascades are investigated in MgO at energies ranging from 400 eV to 5 keV. Initial energy is imparted to the principle knock-on atom in the lattice and the cascade development is tracked using classical molecular dynamics. Temperature accelerated dynamics is performed on representative defects to follow the behavior to experimental time scales. Molecular statics is used to calculate basic properties of these defects, while density functional theory calculations are used to verify the potential. In the cascades performed at the lowest energy, the lattice either reforms perfectly or, if residual defects remain, these consist of isolated interstitials and vacancies and charge-neutral Mg-O divacancies and di-interstitials. As the energy is increased to 5 keV, isolated interstitials and di-interstitials remain the most common defects but more vacancy clustering can occur and interstitial defects consisting of up to seven atoms have been observed. Molecular statics calculations find that the binding energy per atom of the interstitial clusters increases from 3.5 to over 5 eV as the size increases from 2 to 16 atoms. Long-time-scale dynamics reveal that vacancies essentially never move at room temperature but that some interstitial clusters can diffuse quickly. Although tetrainterstitial interstitial clusters are essentially immobile, there is a long-lived metastable state of the hexainterstitial that diffuses one dimensionally on the nanosecond time scale at room temperature.

  3. Effect of mass disorder on the lattice thermal conductivity of MgO periclase under pressure

    PubMed Central

    Dalton, Douglas Allen; Hsieh, Wen-Pin; Hohensee, Gregory T.; Cahill, David G.; Goncharov, Alexander F.

    2013-01-01

    Thermal conductivity of mantle materials controlling the heat balance and thermal evolution of the Earth remains poorly constrained as the available experimental and theoretical techniques are limited in probing minerals under the relevant conditions. We report measurements of thermal conductivity of MgO at high pressure up to 60 GPa and 300 K via diamond anvil cells using the time-domain thermoreflectance technique. These measurements are complemented by model calculations which take into account the effect of temperature and mass disorder of materials within the Earth. Our model calculations agree with the experimental pressure dependencies at 300 and 2000 K for MgO. Furthermore, they predict substantially smaller pressure dependence for mass disordered materials as the mechanism of scattering changes. The calculated thermal conductivity at the core-mantle boundary is smaller than the majority of previous predictions resulting in an estimated total heat flux of 10.4 TW, which is consistent with modern geomodeling estimates. PMID:23929068

  4. Damage accumulation in MgO irradiated with MeV Au ions at elevated temperatures

    NASA Astrophysics Data System (ADS)

    Bachiller-Perea, Diana; Debelle, Aurélien; Thomé, Lionel; Behar, Moni

    2016-09-01

    The damage accumulation process in MgO single crystals under medium-energy heavy ion irradiation (1.2 MeV Au) at fluences up to 4 × 1014 cm-2 has been studied at three different temperatures: 573, 773, and 1073 K. Disorder depth profiles have been determined through the use of the Rutherford backscattering spectrometry in channeling configuration (RBS/C). The analysis of the RBS/C data reveals two steps in the MgO damage process, irrespective of the temperature. However, we find that for increasing irradiation temperature, the damage level decreases and the fluence at which the second step takes place increases. A shift of the damage peak at increasing fluence is observed for the three temperatures, although the position of the peak depends on the temperature. These results can be explained by an enhanced defect mobility which facilitates defect migration and may favor defect annealing. X-ray diffraction reciprocal space maps confirm the results obtained with the RBS/C technique.

  5. Ab Initio Modeling of Transition-Metal Impurities in MgO

    NASA Astrophysics Data System (ADS)

    Levchenko, Sergey V.; Alarcon Villaseca, Sebastian; Mazheika, Aliaksei; Scheffler, Matthias

    Fe- and Ni-doped MgO are promising materials for the catalytic conversion of methane and CO2. However, theoretical studies of these materials are scarce. The self-interaction error (SIE) in approximate DFT leads to an incorrect description of the electron localization and hybridization between d states of Ni or Fe and the oxide electronic bands. Replacing a fraction α of the (semi-)local exchange by the exact exchange reduces the SIE, but α remains a parameter depending on the target property. We explore the dependence of the formation energies of NiMg and FeMg substitutional defects in MgO on α in the Heyd-Scuseria-Ernzerhof hybrid functional (HSE), and compare the results to CCSD(T) embedded-cluster calculations. For NiMg defects HSE(α = 0.3) reproduces CCSD(T) formation energies and CO adsorption energies on NiMg. However, α = 0.48 is needed in the case of FeMg. For both NiMg and FeMg, α = 0.44-0.50 satisifies best the exact DFT condition that the HOMO does not depend on occupation. Contrary to PBE and HSE06, HSE(α ~ 0.5) reproduces the experimentally observed Oh -->D4 h (oblate) Jahn-Teller distortion for FeMg. We thank CoE UniCat for financial support.

  6. Annealing Effects on the Surface Plasmon of MgO Implanted with Gold

    NASA Technical Reports Server (NTRS)

    Ueda, A.; Mu, R.; Tung, Y. -S.; Henderson, D. O.; White, C. W.; Zuhr, R. A.; Zhu, Jane G.; Wang, P. W.

    1997-01-01

    Gold ion implantation was carried out with the energy of 1.1 MeV into (100) oriented MgO single crystal. Implanted doses are 1, 3, 6, 10 x 10(exp 16) ions/sq cm. The gold irradiation results in the formation of gold ion implanted layer with a thickness of 0.2 microns and defect formation. In order to form gold colloids from the as-implanted samples, we annealed the gold implanted MgO samples in three kinds of atmospheres: (1)Ar only, (2)H2 and Ar, and (3)O2 and Ar. The annealing over 1200 C enhanced the gold colloid formation which shows surface plasmon resonance band of gold. The surface plasmon bands of samples annealed in three kinds of atmospheres were found to be at 535 nm (Ar only), 524 nm(H2+Ar), and 560 nm (02+Ar), The band positions of surface plasmon can be reversibly changed by an additional annealing.

  7. Rotational Tunneling of CH2D2 Monolayers on MgO(100)

    NASA Astrophysics Data System (ADS)

    Hicks, Andrew; Larese, John

    2013-03-01

    Understanding the detailed nature of the interactions governing physisorption is a central topic in surface science, with wide ranging energy applications in heterogeneous catalysis, gas separation, and hydrogen storage. For systems with a strong interaction potential relative to the rotational constant of the adsorbate, adsorbed molecules are constrained to minima in the rotational potential. Adsorbed molecules may then tunnel through the rotational barrier between potential minima. Rotational tunneling spectra (RTS) are extremely sensitive to changes in the symmetry and strength of the rotational potential and are unmatched in their ability to probe the electrostatic potentials associated with adsorption sites. Furthermore, RTS can be clearly observed using inelastic neutron scattering. Building upon previous work of CH4 on MgO (see J.Z. Larese, Physica B, 1998), RTS of CH3D and CH2D2 are interpreted using the pocket state (PS) formalism developed by Hüller et al. The ground librational state of the adsorbate is split into twelve ``pockets'', each localized around one of twelve minima in the rotational potential. We report recent RTS of single monolayers of CH3D and CH2D2 adsorbed on the MgO(100) surface using BASIS at the SNS at ORNL. These pioneering measurements represent the highest resolution investigation available for this (or any other) RTS. The discussion will include challenges in reconciling the transitions predicted by PS theory and the features observed in the experimental data.

  8. In vitro cytotoxic evaluation of MgO nanoparticles and their effect on the expression of ROS genes.

    PubMed

    Kumaran, Rangarajulu Senthil; Choi, Yong-Keun; Singh, Vijay; Song, Hak-Jin; Song, Kyung-Guen; Kim, Kwang Jin; Kim, Hyung Joo

    2015-01-01

    Water-dispersible MgO nanoparticles were tested to investigate their cytotoxic effects on oxidative stress gene expression. In this in vitro study, genes related to reactive oxygen species (ROS), glutathione S-transferase (GST) and catalase, were quantified using real-time polymerase chain reactions (molecular level) and molecular beacon technologies (cellular level). The monodispersed MgO nanoparticles, 20 nm in size, were used to treat human cancer cell lines (liver cancer epithelial cells) at different concentrations (25, 75 and 150 µg/mL) and incubation times (24, 48 and 72 h). Both the genetic and cellular cytotoxic screening methods produced consistent results, showing that GST and catalase ROS gene expression was maximized at 150 µg/mL nanoparticle treatment with 48 h incubation. However, the genotoxic effect of MgO nanoparticles was not significant compared with control experiments, which indicates its significant potential applications in nanomedicine as a diagnostic and therapeutic tool. PMID:25854426

  9. In vitro cytotoxic evaluation of MgO nanoparticles and their effect on the expression of ROS genes.

    PubMed

    Kumaran, Rangarajulu Senthil; Choi, Yong-Keun; Singh, Vijay; Song, Hak-Jin; Song, Kyung-Guen; Kim, Kwang Jin; Kim, Hyung Joo

    2015-04-03

    Water-dispersible MgO nanoparticles were tested to investigate their cytotoxic effects on oxidative stress gene expression. In this in vitro study, genes related to reactive oxygen species (ROS), glutathione S-transferase (GST) and catalase, were quantified using real-time polymerase chain reactions (molecular level) and molecular beacon technologies (cellular level). The monodispersed MgO nanoparticles, 20 nm in size, were used to treat human cancer cell lines (liver cancer epithelial cells) at different concentrations (25, 75 and 150 µg/mL) and incubation times (24, 48 and 72 h). Both the genetic and cellular cytotoxic screening methods produced consistent results, showing that GST and catalase ROS gene expression was maximized at 150 µg/mL nanoparticle treatment with 48 h incubation. However, the genotoxic effect of MgO nanoparticles was not significant compared with control experiments, which indicates its significant potential applications in nanomedicine as a diagnostic and therapeutic tool.

  10. Microstructure and nonbasal-plane growth of epitaxial Ti2AlN thin films

    NASA Astrophysics Data System (ADS)

    Beckers, M.; Schell, N.; Martins, R. M. S.; Mücklich, A.; Möller, W.; Hultman, L.

    2006-02-01

    Thin films of the Mn+1AXn (MAX) phase (M: early transition metal; A:A-group element; X: C and/or N; n=1-3) Ti2AlN were epitaxially grown onto single-crystal MgO(111) and MgO(100) substrates by dc reactive magnetron cosputtering from Ti and Al targets in an Ar/N2 gas mixture at a temperature of 690 °C. To promote the nucleation of the MAX phase, a fcc (Ti0.63Al0.37)N seed layer was deposited before changing to Ti2AlN growth parameters. The nucleation processes have been studied by real-time in situ specular x-ray reflectivity. Independent of substrate orientation, the seed layer shows no roughening until its final thickness of approximately 100 A˚, indicating pseudomorphic layer-by-layer growth. The MAX phase shows heteroepitaxial layer-by-layer growth on MgO(111), with increased surface roughening up to approximately 200 A˚, whereas on MgO(100) the growth mode changes to Volmer-Weber-type already after three monolayers. X-ray scattering in Bragg-Brentano geometry of the final, approximately 1000 A˚ thick, Ti2AlN film reveals lattice parameters of c=13.463 A˚ and a=2.976 A˚ on the MgO(111) substrate and c=13.740 A˚ and a=2.224 A˚ on the MgO(100) substrate. From pole figure measurements the orientational relationship between film and substrate lattice was determined to be MgO{111}<110>//Ti2AlN{1012}<1210>, regardless of the substrate orientation. This tilted, nonbasal-plane growth leads to a threefold grain orientation of Ti2AlN along the MgO<110> directions and a polycrystalline morphology confirmed by cross-sectional transmission electron microscopy. The growth can be assumed to take place in a lateral step-flow mode, i.e., emerging low surface free-energy (0001) planes, on which arriving atoms can diffuse until finding a step where they are bound to A facets. This growth process is irrespective of orientational relationship between substrate and film. However, in the present low-temperature case the partitioning of arriving Al and Ti atoms during

  11. Absence of low temperature phase transitions and enhancement of ferroelectric transition temperature in highly strained BaTiO{sub 3} epitaxial films grown on MgO Substrates

    SciTech Connect

    Kumar, Satish; Kumar, Dhirendra; Sathe, V. G.; Kumar, Ravi; Sharma, T. K.

    2015-04-07

    Recently, a large enhancement in the ferroelectric transition temperature of several oxides is reported by growing the respective thin films on appropriate substrates. This phenomenon is correlated with high residual strain in thin films often leading to large increase in the tetragonality of their crystal structure. However, such an enhancement of transition temperature is usually limited to very thin films of ∼10 nm thickness. Here, we report growth of fully strained epitaxial thin films of BaTiO{sub 3} of 400 nm thickness, which are coherently grown on MgO substrates by pulsed laser deposition technique. Conventional high resolution x-ray diffraction and also the reciprocal space map measurements confirm that the film is fully strained with in-plane tensile strain of 5.5% that dramatically increases the tetragonality to 1.05. Raman measurements reveal that the tetragonal to cubic structural phase transition is observed at 583 K, which results in an enhancement of ∼200 K. Furthermore, temperature dependent Raman studies on these films corroborate absence of all the low temperature phase transitions. Numerical calculations based on thermodynamical model predict a value of the transition temperature that is greater than 1500 °C. Our experimental results are therefore in clear deviation from the existing strain dependent phase diagrams.

  12. YBa{sub 2}Cu{sub 3}O{sub 7-x} 45{degree} [001] tilt grain boundaries induced by controlled low-energy sputtering of MgO substrates: Transport properties and atomic-scale structure

    SciTech Connect

    Vuchic, B.V.; Merkle, K.L.; Funkhouser, J.W.; Bucholz, D.B.; Dean, K.A.; Chang, R.P.H.; Marks, L.D.

    1994-10-01

    Grain boundaries can act as weak links in the high {Tc} materials. If properly controlled, these grain boundaries can be used in various device applications. We have been able to reproducibly form 45{degree} [001] tilt grain boundary junctions in YBa{sub 2}Cu{sub 3}0{sub 7-x} thin films. The films were grown on MgO substrates using a pre-growth substrate treatment. A low energy broad beam Argon ion source was used to irradiate a select region of (100) MgO substrates. The film on the milled portion of the substrate grows predominantly with a grain orientation rotated 45{degree} about the c-axis with respect to the grain on the unmilled portion. Backscattered electron Kikuchi patterns have been used to confirm that the rotation occurs across the entire milled portion of the substrate. Transport properties of these films are discussed and related to high resolution electron microstructural and microchemical analyses of the grain boundaries. This technique has potential use in device applications as a method for controlled grain boundary engineering.

  13. Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001).

    PubMed

    Laporte, Sara; Finocchi, Fabio; Paulatto, Lorenzo; Blanchard, Marc; Balan, Etienne; Guyot, François; Saitta, Antonino Marco

    2015-08-21

    We report a density-functional theory (DFT)-based study of the interface of bulk water with a prototypical oxide surface, MgO(001), and focus our study on the often-overlooked surface electric field. In particular, we observe that the bare MgO(001) surface, although charge-neutral and defectless, has an intense electric field on the Å scale. The MgO(001) surface covered with 1 water monolayer (1 ML) is investigated via a supercell accounting for the experimentally-observed (2 × 3) reconstruction, stable at ambient temperature, and in which two out of six water molecules are dissociated. This 1 ML-hydrated surface is also found to have a high, albeit short-ranged, normal component of the field. Finally, the oxide/water interface is studied via room-temperature ab initio molecular dynamics (AIMD) using 34 H2O molecules between two MgO(001) surfaces. To our best knowledge this is the first AIMD study of the MgO(001)/liquid water interface in which all atoms are treated using DFT and including several layers above the first adsorbed layer. We observe that the surface electric field, averaged over the AIMD trajectories, is still very strong on the fully-wet surface, peaking at about 3 V Å(-1). Even in the presence of bulk-like water, the structure of the first layer in contact with the surface remains similar to the (2 × 3)-reconstructed ice ad-layer on MgO(001). Moreover, we observe proton exchange within the first layer, and between the first and second layers - indeed, the O-O distances close to the surface are found to be distributed towards shorter distances, a property which has been shown to directly promote proton transfer.

  14. Strain induced room temperature ferromagnetism in epitaxial magnesium oxide thin films

    SciTech Connect

    Jin, Zhenghe; Kim, Ki Wook; Nori, Sudhakar; Lee, Yi-Fang; Narayan, Jagdish; Kumar, D.; Wu, Fan; Prater, J. T.

    2015-10-28

    We report on the epitaxial growth and room-temperature ferromagnetic properties of MgO thin films deposited on hexagonal c-sapphire substrates by pulsed laser deposition. The epitaxial nature of the films has been confirmed by both θ-2θ and φ-scans of X-ray diffraction pattern. Even though bulk MgO is a nonmagnetic insulator, we have found that the MgO films exhibit ferromagnetism and hysteresis loops yielding a maximum saturation magnetization up to 17 emu/cc and large coercivity, H{sub c} = 1200 Oe. We have also found that the saturation magnetization gets enhanced and that the crystallization degraded with decreased growth temperature, suggesting that the origin of our magnetic coupling could be point defects manifested by the strain in the films. X-ray (θ-2θ) diffraction peak shift and strain analysis clearly support the presence of strain in films resulting from the presence of point defects. Based on careful investigations using secondary ion mass spectrometer and X-ray photoelectron spectroscopy studies, we have ruled out the possibility of the presence of any external magnetic impurities. We discuss the critical role of microstructural characteristics and associated strain on the physical properties of the MgO films and establish a correlation between defects and magnetic properties.

  15. Preparation of anisotropic magnetic FeNiPt2 films on MgO(001): Atomistic mechanisms for the interdiffusion of two L10 phases

    NASA Astrophysics Data System (ADS)

    Montsouka, R. V. P.; Goyhenex, C.; Schmerber, G.; Ulhaq-Bouillet, C.; Derory, A.; Faerber, J.; Arabski, J.; Pierron-Bohnes, V.

    2006-10-01

    L10 -ordered FeNiPt2(001) thin films were prepared by the interdiffusion of FePt(001) and NiPt(001) layers codeposited on MgO(001) substrates by molecular beam epitaxy (MBE). A large uniaxial magnetic anisotropy (Ku=9.105J/m3) and a reduced magnetic transition temperature (Tc=400K) were obtained. Growth at 700K and a first annealing at 800K result in a large long-range order parameter reflecting the concentration modulation along the growth direction. This high long-range order parameter is conserved in the FeNiPt2 layers after interdiffusion at 900K , contrary to what is expected from a simple vacancy migration process. This experimental observation can be explained either by a 6-jump cycle mechanism or by the alternate diffusion of a double vacancy, which are both favored energetically over a second-nearest-neighbor jump mechanism or the simultaneous diffusion of a double vacancy as shown by quenched molecular dynamics simulations.

  16. Evaluation of Heterogeneous Options: Effects of MgO versus UO2 Matrix Selection for Minor Actinide Targets in a Sodium Fast Reactor

    SciTech Connect

    M. Pope; S. Bays; R. Ferrer

    2008-03-01

    The primary focus of this work was to compare MgO with UO2 as target matrix material options for burning minor actinides in a transmutation target within a sodium fast reactor. This analysis compared the transmutation performance of target assemblies having UO2 matrix to those having specifically MgO inert matrix.

  17. Study on initial current leakage spots in CoFeB-capped MgO tunnel barrier by conductive atomic force microscopy

    NASA Astrophysics Data System (ADS)

    Sato, Soshi; Honjo, Hiroaki; Ikeda, Shoji; Ohno, Hideo; Endoh, Tetsuo; Niwa, Masaaki

    2016-04-01

    Although a microscopic study on a MgO tunnel barrier by atomic force microscopy has been required to study the reliability of magnetic tunnel junctions, the deterioration of bare MgO due to the adsorption of H2O and CO2 has been a problem. For an accurate evaluation of the initial current leakage spots distributed in a MgO tunnel barrier, a CoFeB-capped MgO tunnel barrier structure is proposed for evaluation by means of conductive atomic force microscopy. The CoFeB capping layer thickness was optimized to be 2.0 nm to prevent H2O and CO2 adsorption on the MgO and to minimize the series resistance due to the capping layer. The initial current leakage spot density of the MgO tunnel barrier with the optimized CoFeB capping layer exponentially increased as the thickness of the MgO tunnel barrier decreased from 1.6 to 0.8 nm, and was 157 spots/µm2 at the MgO thickness of 1.2 nm and the bias voltage of 0.5 V.

  18. Chemical Solution Derived Planarization Layers for Highly Aligned IBAD MgO Templates

    SciTech Connect

    Paranthaman, Mariappan Parans; Aytug, Tolga; Stan, Liliana; Jia, Quanxi; Cantoni, Claudia; Wee, Sung Hun

    2014-01-01

    The main goal of this research is to develop a chemical solution derived planarization layer to fabricate highly aligned IBAD-MgO templates for the development of high temperature superconductor (HTS) based coated conductors. The standard IBAD-MgO template needs an additional electrochemical polishing step of the mechanically polished 50- m-thick Hastelloy C-276 substrates to ensure a flat and smooth surface for subsequent growth of multi-layer buffer architectures, which include: sputtered 80-nm Al2O3; sputtered 7-nm Y2O3; IBAD 10-nm MgO; sputtered 30-nm homo-epi MgO; and sputtered 30-nm LaMnO3 (LMO) layers. We have successfully developed a solution planarization layer that removes the electrochemical polishing step and also acts as a barrier layer. Crack-free, smooth Al2O3 layers were prepared on mechanically polished Hastelloy substrates using a chemical solution process. A nearly 10-15-nm thick Al2O3 layer was formed with each coating and the coating was repeated several times to achieve the desired film thickness with intermediate heat-treatments after each coating. The Al2O3 planarization layer significantly reduced the surface roughness of the substrate. The average surface roughness value, Ra for a starting substrate was 9-10 nm. After 8 coatings of Al2O3 layer, the Ra was reduced to 2 nm. Highly aligned IBAD-MgO layers with out-of-plane and in-plane textures comparable to the standard IBAD-MgO layers were successfully deposited on top of the solution planarization Al2O3 layers with an Y2O3 nucleation layer using a reel-to-reel ion-beam sputtering system. Both homo-epi MgO and LMO layers were subsequently deposited on the IBAD-MgO layers using rf sputtering to complete the buffer stack required for the growth of HTS films. YBa2Cu3O7- (YBCO) films with a thickness of 0.8 m deposited on these IBAD-MgO templates by pulsed laser deposition showed a high self-field critical current density, Jc of 3.04 MA/cm2 at 77 K and 6.05 MA/cm2 at 65 K. These results

  19. Shock response and phase transitions of MgO at planetary impact conditions

    DOE PAGESBeta

    Root, Seth; Shulenburger, Luke; Lemke, Raymond W.; Dolan, Daniel H.; Mattsson, Thomas R.; Desjarlais, Michael P.

    2015-11-04

    The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth’s mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories’ Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42,000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solidmore » and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. Furthermore, the high pressure required for complete shock melting has implications for a broad range of planetary collision events.« less

  20. First-principles study of the Fe | MgO(0 0 1) interface: magnetic anisotropy.

    PubMed

    Bose, Thomas; Cuadrado, Ramon; Evans, Richard F L; Chepulskii, Roman V; Apalkov, Dmytro; Chantrell, Roy W

    2016-04-20

    We present a systematic first-principles study of Fe | MgO bilayer systems emphasizing the influence of the iron layer thickness on the geometry, the electronic structure and the magnetic properties. Our calculations ensure the unconstrained structural relaxation at scalar relativistic level for various numbers of iron layers placed on the magnesium oxide substrate. Our results show that due to the formation of the interface the electronic structure of the interface iron atoms is significantly modified involving charge transfer within the iron subsystem. In addition, we find that the magnetic anisotropy energy increases from 1.9 mJ m(-2) for 3 Fe layers up to 3.0 mJ m(-2) for 11 Fe layers. PMID:26987845

  1. Theoretical study of AuCu nanoalloys adsorbed on MgO(001)

    NASA Astrophysics Data System (ADS)

    Cerbelaud, M.; Barcaro, G.; Fortunelli, A.; Ferrando, R.

    2012-06-01

    The structures of AuCu clusters adsorbed on the (001) face of MgO are searched for by a two-step methodology. In a first step, the relevant structural motifs are singled out by global optimization searches within an atomistic model. In a second step, the lowest energy structures of each motif are relaxed by density-functional calculations. Three different sizes (30, 40 and 50 atoms) are considered. For each size, three compositions are analyzed. For size 30, a competition between fcc pyramids and a new motif (the daisy structure) is found. For 40 and 50 atoms, icosahedral fragments prevail. The results are discussed in connection with experimental data related to clusters of larger sizes.

  2. Dual anisotropic character in Fe/Pt multilayer grown on (001) MgO substrate

    SciTech Connect

    Pandey, Himanshu; Rakshit, R. K.; Gupta, Anurag; Maurya, K. K.; Dalai, M. K.; Budhani, R. C.

    2014-04-24

    The multilayers of [Fe(5Å)/Pt(25 Å)]{sub ×15} were prepared by dc magnetron sputtering on 50 Å Pt-buffered MgO substrates. The structural characterization of the multilayers was carried out using X-ray diffraction, X-ray reflectivity. The Secondary ion mass spectroscopy measurement reveals the depth profile and compositional modulations of the multilayer films as per our design specifications. Room temperature magnetic measurements were carried out by using SQUID both in-plane and out-of-plane sample geometry. Magnetization measurements show similar M-H loops for both in-plane and out-of-plane directions of external magnetic field with a coercivity of 190 Oe. These measurements indicate that our samples are magnetically soft and have multifunctional character which is important for making magnetic tunnel junctions.

  3. The mechanism of sputter-induced orientation change in YBCO films on MgO (001)

    SciTech Connect

    Huang, Y.; Vuchic, B.V.; Baldo, P.; Merkle, K.L.; Buchholz, D.B.; Mahajan, S.; Lei, J.S.; Markworth, P.R.; Chang, R.P.H.

    1996-12-01

    The mechanisms of the sputter-induced orientation change in YBa{sub 2}Cu{sub 3}O{sub 7{minus}x}(YBCO) films grown on MgO (001) substrates by pulsed organometallic beam epitaxy (POMBE) are investigated by x-ray diffraction. Rutherford backscatter spectroscopy (RBS), cross-section TEM (XTEM) and microanalysis. It is found that the W atom implantation concurring with the ion sputtering plays an important role in effecting the orientation change. This implantation changes the surface structure of the substrate and induces an intermediate layer in the initial growth of the YBCO film, which in turn acts as a template that induces the orientation change. It seems that the surface morphology change caused by ion sputtering has only a minor effect on the orientation change.

  4. Shock Response and Phase Transitions of MgO at Planetary Impact Conditions

    NASA Astrophysics Data System (ADS)

    Root, Seth; Shulenburger, Luke; Lemke, Raymond W.; Dolan, Daniel H.; Mattsson, Thomas R.; Desjarlais, Michael P.

    2015-11-01

    The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth's mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories' Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42 000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solid and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. The high pressure required for complete shock melting has implications for a broad range of planetary collision events.

  5. Shock response and phase transitions of MgO at planetary impact conditions

    SciTech Connect

    Root, Seth; Shulenburger, Luke; Lemke, Raymond W.; Dolan, Daniel H.; Mattsson, Thomas R.; Desjarlais, Michael P.

    2015-11-04

    The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth’s mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories’ Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42,000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solid and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. Furthermore, the high pressure required for complete shock melting has implications for a broad range of planetary collision events.

  6. In vitro reactivity of Na2O MgO SiO2 glasses

    NASA Astrophysics Data System (ADS)

    Roy, Debdas

    2007-12-01

    A variety of bioactive glasses have been investigated over the last two decades as substitute material for diseased or damaged tissues in a human body. In this investigation, three different melt derived bioactive glasses, each having 55% by mole SiO2 and ratio of MgO to Na2O varying from 1:8 to 8:1, were prepared by melting various oxides at temperature >1250 °C. After microstructure evolution, vitro reactivity of these glasses was examined by keeping them in simulated body fluid (trans buffered pH 7.25 at 25 cc). The surface reactivity of these glasses gradually increased with increasing Na2O/MgO ratio.

  7. Simulations of Kikuchi patterns due to thermal diffuse scattering on MgO crystals.

    PubMed

    Omoto, Kazuya; Tsuda, Kenji; Tanaka, Michiyoshi

    2002-01-01

    Inelastic scattering of fast transmission electrons from a perfect crystal is investigated using the Bloch wave theory. A comprehensive expression for the scattering of electrons is given, which includes both elastic and inelastic multiple scatterings. This expression is an extended form of Fujimoto's expression for elastic scattering (J. Phys. Soc. Japan 14:1558 (1959)). For the approximation of single inelastic scattering, the expression becomes equivalent to the formula of Rez et al. (Phil. Mag. 35: 81 (1977)). When thermal diffuse scattering (TDS) is considered using the Einstein model or the scattering factor for TDS given by Hall and Hirsch (Proc. R. Soc. A 286: 158 (1965)), Rossouw and Bursill's expression (Acta Cryst. A 41: 320 (1985)) is derived. This expression has been used in computer simulations of TDS intensity distribution (Kikuchi pattern). It is shown that the simulations for magnesium oxide (MgO) using 357 beams agree quite well with the experimental ones.

  8. Mechanism of critical catalyst size effect on MgO nanowire growth by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Yanagida, Takeshi; Nagashima, Kazuki; Tanaka, Hidekazu; Kawai, Tomoji

    2008-07-01

    The size controllability of oxide nanowires formed via vapor-liquid-solid (VLS) mechanism is desired for the oxide nanowire-based device applications. However, the complex nature of oxide nanowire VLS growth has held back such size controllability. Here we demonstrate the critical size effect of a Au catalyst on MgO nanowire VLS growth by pulsed laser deposition. The presence of a critical catalyst size was found. Above such critical size, an oxide nanowire VLS growth is no longer feasible. Interestingly, such critical size increased with increasing growth temperature. The mechanism of the critical phenomenon is interpreted in terms of the catalyst size dependence on the amount of adatoms diffused from surroundings into the catalyst.

  9. Charge modulation of magnetization in X-doped MgO nanotube clusters (X=C, N)

    NASA Astrophysics Data System (ADS)

    Wang, Su-Fang; Chen, Li-Yong; Zhang, Tao; Xie, You

    2016-02-01

    First-principles calculations based on density functional theory are performed to study the magnetic and electronic properties of X-doped 8×7 MgO nanotube clusters (X=C, N). The N dopant easily occupies the O-site at the edge of MgO nanotube, embracing neutral or charged defect state, and induces notable magnetization in N-doped MgO tubular cluster. More important, this p-electron magnetization can be significantly modulated as the charged state of the defect changes. Regarding C doping, impurity atom readily substitute the Mg atom located at the edge of MgO nanotube to form neutral defect, and net magnetization is found to be zero. The calculated electron densities of states show that the O-site N doping at the edge greatly narrows or even destroys band-gap, while it enlarges somewhat for the Mg-site C doping at the edge. The results are likely to stimulate a promising class of materials for various applications ranging from spintronics to magneto-optics.

  10. Growth, structure and magnetic properties of FePt nanostructures on NaCl(001) and MgO(001).

    PubMed

    Liscio, F; Makarov, D; Maret, M; Doisneau-Cottignies, B; Roussel, H; Albrecht, M

    2010-02-10

    A comparison of the structural and magnetic properties of FePt nanostructures grown at different temperatures on NaCl(001) and MgO(001) substrates is presented. A strong influence of the deposition temperature on the epitaxial growth as well as on the size distribution of FePt nanostructures grown on NaCl substrates is observed. In spite of a large lattice mismatch between FePt and NaCl, a 'cube-over-cube' growth of nanostructures with a narrow size distribution was achieved at 520 K. Moreover, the growth of FePt nanostructures on NaCl(001) is not preceded by the formation of a wetting layer as observed on MgO(001). The higher degree of L1(0) chemical ordering in FePt nanostructures grown on MgO(001) accompanied by the absence of L1(0) variants with an in-plane tetragonal c-axis indicates that the tensile epitaxial stress induced by the MgO substrate is a key factor in the formation of the L1(0) phase with an out-of-plane c-axis. Superparamagnetic behavior is revealed for the FePt nanostructures grown on NaCl(001) due to their small size and relatively poor chemical order.

  11. Growth, structure and magnetic properties of FePt nanostructures on NaCl(001) and MgO(001)

    NASA Astrophysics Data System (ADS)

    Liscio, F.; Makarov, D.; Maret, M.; Doisneau-Cottignies, B.; Roussel, H.; Albrecht, M.

    2010-02-01

    A comparison of the structural and magnetic properties of FePt nanostructures grown at different temperatures on NaCl(001) and MgO(001) substrates is presented. A strong influence of the deposition temperature on the epitaxial growth as well as on the size distribution of FePt nanostructures grown on NaCl substrates is observed. In spite of a large lattice mismatch between FePt and NaCl, a 'cube-over-cube' growth of nanostructures with a narrow size distribution was achieved at 520 K. Moreover, the growth of FePt nanostructures on NaCl(001) is not preceded by the formation of a wetting layer as observed on MgO(001). The higher degree of L10 chemical ordering in FePt nanostructures grown on MgO(001) accompanied by the absence of L10 variants with an in-plane tetragonal c-axis indicates that the tensile epitaxial stress induced by the MgO substrate is a key factor in the formation of the L10 phase with an out-of-plane c-axis. Superparamagnetic behavior is revealed for the FePt nanostructures grown on NaCl(001) due to their small size and relatively poor chemical order.

  12. Characterization of the MgO2+ dication in the gas phase: electronic states, spectroscopy and atmospheric implications.

    PubMed

    Linguerri, R; Hochlaf, M; Bacchus-Montabonel, M-C; Desouter-Lecomte, M

    2013-01-21

    Franzreb and Williams at Arizona State University detected recently the MgO(2+) molecular species in the gas phase. Here we report a very detailed theoretical investigation of the low-lying electronic states of this dication including their potentials, spin-orbit, rotational and radial couplings. Our results show that the potential energy curves of the dicationic electronic states have deep potential wells. This confirms that this dication does exist in the gas phase; it is a thermodynamically stable molecule in its ground state, and it has several excited long-lived metastable states. The potential energy curves are used then to predict a set of spectroscopic parameters for the bound states of MgO(2+). We have also incorporated these potentials, rotational and radial couplings in dynamical calculations to derive the cross sections for the charge transfer Mg(2+) + O → Mg(+) + O(+) reaction in the 1-10(3) eV collision energy domain via formation-decomposition of the MgO(2+) dication. Our work shows the role of MgO(2+) in the Earth ionosphere and more generally in atmospheric processes in solar planets, where this reaction efficiently participates in the predominance of Mg(+) cations in these media compared to Mg and Mg(2+). PMID:23202808

  13. Methylglyoxal (MGO) inhibits proliferation and induces cell death of human glioblastoma multiforme T98G and U87MG cells.

    PubMed

    Paul-Samojedny, Monika; Łasut, Barbara; Pudełko, Adam; Fila-Daniłow, Anna; Kowalczyk, Małgorzata; Suchanek-Raif, Renata; Zieliński, Michał; Borkowska, Paulina; Kowalski, Jan

    2016-05-01

    Glioblastoma multiforme (GBM) is the most malignant and invasive human brain tumor and it is characterized by a poor prognosis and short survival time. Current treatment strategies for GBM using surgery, chemotherapy and/or radiotherapy are ineffective. Thus new therapeutic strategies to target GBM are urgently needed. The effect of methylglyoxal (MGO) on the cell cycle, cell death and proliferation of human GBM cells was investigated. The T98G and U87MG cell lines were cultured in modified EMEM supplemented with 10% fetal bovine serum and maintained at 37°C in a humidified atmosphere of 5% CO2 in air. Cells were exposed to methylglyoxal (0.025mM) per 72h. The influence of MGO on T98G and U87MG cell cycle, proliferation and apoptosis was evaluated as well. Cell cycle phase distribution, proliferation, apoptosis were analyzed by flow cytometry. MGO causes changes in cell cycle and induces accumulation of G1/G0-phase cells and reduced fraction of cells in S and G2/M phases. We have also observed inhibition of cell proliferation and induction of apoptosis in cancer cells. We have also revealed that MGO induces senescence of U87MG but not T98G cells, but further studies are necessary in order to clarify and check mechanism of action of methylglyoxal and it Is a positive phenomenon for the treatment of GBM. PMID:27133062

  14. Structural, magnetic, and Magneto optical properties of Fe3O4/NiO bilayers on MgO(001)

    NASA Astrophysics Data System (ADS)

    Wollschläger, Joachim; Schemme, Tobias; Kuschel, Olga; Witziok, Matthäus; Kuschel, Timo; Kuepper, Karsten

    2016-02-01

    Ultrathin magnetite (Fe3O4) films are attractive for applications in the field of spintronics due to their ferrimagnetic behavior with assumed high degree of spin polarized electrons at the Fermi energy. For these applications, it is necessary to form epitactical bilayer structure combining ferrimagnetic magnetite with an antiferromagnetic layer. Therefore, here we study Fe3O4/NiO bilayers on MgO(001) substrates. Bilayers grown by reactive molecular beam epitaxy are stoichiometric and have well-developed surface and interface structures. The NiO layers are laterally pinned to the structure of the MgO(001) substrate while the magnetite films gradually relax. The interfaces show smooth morphologies and the films have very homogeneous film thickness necessary for spintronical applications. The magnetic and magneto optical properties of the Fe3O4/NiO bilayers were probed by the magneto optical Kerr effect. Compared to single Fe3O4 layers on MgO(001), the bilayers show complicated ferrimagnetic behavior depending on the azimuthal direction of the external applied field. The coercive field of the bilayers, however, is increased with the coercive field of single layer Fe3O4/MgO(001) structures making the Fe3O4/NiO bilayers attractive for spintronic applications.

  15. Elasticity of MgO to 11 GPa with an independent absolute pressure scale: Implications for pressure calibration

    SciTech Connect

    Li, B.; Woody, K; Kung, J

    2006-01-01

    P and S wave velocities and unit cell parameters (density) of MgO are measured simultaneously up to 11 GPa using combined ultrasonic interferometry and in situ X-ray diffraction techniques. The elastic bulk and shear moduli as well as their pressure derivatives are obtained by fitting the measured velocity and density data to the third-order finite strain equations, yielding K0S = 163.5(11) GPa, K'0S = 4.20(10), G0 = 129.8(6) GPa, and G'0 = 2.42(6), independent of pressure. These properties are subsequently used in a Birch-Murnaghan equation of state to determine the sample pressures at the observed strains. Comparison of the 300K isothermal compression of MgO indicates that current pressure scales from recent studies are in better than 1.5% agreement. We find that pressures derived from secondary pressure standards (NaCl, ruby fluorescence) at 300K are lower than those from current MgO scales by 5-8% ({approx}6% on average) in the entire pressure range of the current experiment. If this is taken into account, discrepancy in previous static compression studies on MgO at 300K can be reconciled, and a better agreement with the present study can be achieved.

  16. Novel Approach for the Reduction of ZnO and MgO Using a Direct Diode-Laser

    NASA Astrophysics Data System (ADS)

    Mahmoud, M. S.; Yabe, T.; Iida, E.

    2016-10-01

    In this work, we present the results of using the diode laser with an energy density of 6.6 × 1011 W/m3 for reducing ZnO to Zn in vacuum as a first step. Subsequently, we use the diode laser for the reduction of MgO using Zn as the reducing agent. Although Zn is one of the candidates proposed for the renewable energy cycle, it is more auspicious to use it as a recyclable reducing agent. Herein, the reduction efficiency was measured in terms of moles of Zn or Mg obtained per moles of ZnO or MgO ablated. The energy efficiency is measured in terms of mass of Zn or Mg produced per energy consumed by diode laser. For the first part, the largest reduction rate was 15.8 mg/s, corresponding to reduction and energy efficiencies of 76.6 pct and 16.14 mg/kJ, respectively. The yield for the process was 8.8 pct of the theoretically calculated one, which is only better than the solar ZnO reduction process. For the second part, the reduction of MgO with Zn was attainable by diode laser, the resultant Mg was associated with Zn traces, and the electron probe micro analysis results showed that the MgO reduction efficiency fluctuates between 14.4 and 26.6 pct. Different scenarios were suggested for the mechanism of the reaction.

  17. Using Variable Temperature Powder X-Ray Diffraction to Determine the Thermal Expansion Coefficient of Solid MgO

    ERIC Educational Resources Information Center

    Corsepius, Nicholas C.; DeVore, Thomas C.; Reisner, Barbara A.; Warnaar, Deborah L.

    2007-01-01

    A laboratory exercise was developed by using variable temperature powder X-ray diffraction (XRD) to determine [alpha] for MgO (periclase)and was tested in the Applied Physical Chemistry and Materials Characterization Laboratories at James Madison University. The experiment which was originally designed to provide undergraduate students with a…

  18. Relationship between characteristic length and average grain size in nanosize MgO added Bi-2212 superconductor ceramics

    NASA Astrophysics Data System (ADS)

    Hamid, N. A.; Asbullah, M. S. N.; Yahya, S. Y. S.; Hashim, A.

    2012-09-01

    In the present work, Bi2Sr2CaCu2O8 (Bi-2212)/MgO compound was prepared using the conventional solid-state reaction method. The powder of nanosize MgO particles was added to Bi-2212 superconductor with weight percentage of 3%, 5%, and 8%, respectively. The compound was sintered for 48 hours at 855°C in air. Besides the existence of a small amount of impurity phases, all the samples showed the Bi-2212 phase as the dominant phase. The temperature dependence of transport current density (Jc) in zero magnetic fields for each sample was measured from 40 K to transition temperature (Tc). It was found that the Jc value decreased with increasing temperature and this showed the consequence of thermal activated flux creep. Using the self-field approximation together with Jc dependence on temperature, we estimated that the characteristic length (Lc) associated with the pinning force is approximately the same as the average grain size (Rg) for the non-added sample and for sample with 8% nanosize MgO addition. In contrast, for samples with 3% and 5% addition, the results showed that Lc < Rg. This indicates that addition of 3% to 5% of nanosize MgO particles provides the optimum flux pinning centers for Bi-2212 superconductor ceramics.

  19. Effect of hot extrusion, other constituents, and temperature on the strength and fracture of polycrystalline MgO

    SciTech Connect

    Rice, R.W. )

    1993-12-01

    Improved agreement was confirmed between the Petch intercept and single-crystal yield stresses at 22 C. Hot-extruded MgO crystal specimens stressed parallel with the resultant axial texture (1) gave the highest and least-scattered strength-grain size results at 22 C, (2) showed direct fractographic evidence of microplastic initiated fracture at 22 C and showed macroscopic yield at 1,315 and especially 1,540 C, and (3) fractured entirely via transgranular cleavage, except for intergranular failure initiation from one or a few grain boundary surfaces exposed on the subsequent fracture surface, mainly at 1,540 C. Hot-extruded, hot-pressed MgO billets gave comparable strength when fracture initiated transgranularly, but lower strength when fracture initiated from one or especially a few grain boundary surfaces exposed on the fracture. The extent and frequency of such boundary fracture increased with test temperature. While oxide additions of [<=] 5% or impurities in hot-pressed or hot-extruded MgO can make limited strength increases at larger grain sizes, those having limited solubility can limit strength at finer grain sizes, as can coarser surface finish. Overall, MgO strength is seen as a balance between flaw and microplastic controlled failure, with several parameters shifting the balance.

  20. Self-healing of drying shrinkage cracks in cement-based materials incorporating reactive MgO

    NASA Astrophysics Data System (ADS)

    Qureshi, T. S.; Al-Tabbaa, A.

    2016-08-01

    Excessive drying shrinkage is one of the major issues of concern for longevity and reduced strength performance of concrete structures. It can cause the formation of cracks in the concrete. This research aims to improve the autogenous self-healing capacity of traditional Portland cement (PC) systems, adding expansive minerals such as reactive magnesium oxide (MgO) in terms of drying shrinkage crack healing. Two different reactive grades (high ‘N50’and moderately high ‘92–200’) of MgO were added with PC. Cracks were induced in the samples with restraining end prisms through natural drying shrinkage over 28 days after casting. Samples were then cured under water for 28 and 56 days, and self-healing capacity was investigated in terms of mechanical strength recovery, crack sealing efficiency and improvement in durability. Finally, microstructures of the healing materials were investigated using FT-IR, XRD, and SEM-EDX. Overall N50 mixes show higher expansion and drying shrinkage compared to 92–200 mixes. Autogenous self-healing performance of the MgO containing samples were much higher compared to control (only PC) mixes. Cracks up to 500 μm were sealed in most MgO containing samples after 28 days. In the microstructural investigations, highly expansive Mg-rich hydro-carbonate bridges were found along with traditional calcium-based, self-healing compounds (calcite, portlandite, calcium silicate hydrates and ettringite).

  1. ME μSR study of MgO: Search for O-1 Earthquake-like Precursors

    NASA Astrophysics Data System (ADS)

    Welch, G.; Lee, S. B.; Johnson, C. E.; Love, A.; Boekema, C.; Freund, F. T.

    2014-03-01

    While many precursory signals of earthquakes are known to exist, interpretation of these signals is inadequately understood. Earthquake-like precursor effects are detected by studying the signals generated by positive holes in MgO using Muon-Spin Resonance (μSR) and Maximum Entropy (ME). As an abundant earth-crust compound, MgO is an ideal model for studying eartquake-like signals. Positive hole formation results from a break in an oxygen anion pair under elevated temperature, or high stress conditions. For a 3N-MgO single crystal at elevated temperatures, a small percentage of oxygen is predicted to be in an O-1 state instead of normal O-2 ions. Preliminary ME analysis of transverse field (100 Oe) μSR MgO data show asymmetrical ME peaks at ~ 1.4 MHz. Small T-dependent deviations from a Lorentzian (Lor) signal seem to be effects of O-1 states in MgO. Tentatively, we have fitted ME transforms with three Lor's to obtain a reasonable description of the 1.4-MHz peak. The T dependences of this 3-Lor set are reported and discussed. Research is supported by RSCA-SJSU, SETI, WiSE@SJSU and AFC San Jose.

  2. Demixing Instability in Dense Molten MgSiO3 and the Phase Diagram of MgO

    NASA Astrophysics Data System (ADS)

    Boates, Brian; Bonev, Stanimir A.

    2013-03-01

    The phase diagrams of MgSiO3 and MgO are studied from first-principles theory for pressures and temperatures up to 600 GPa and 20 000 K. Through the evaluation of finite-temperature Gibbs free energies, using density-functional theory within the generalized gradient approximation as well as with hybrid exchange-correlation functionals, we find evidence for a vast pressure-temperature regime where molten MgSiO3 decomposes into liquid SiO2 and solid MgO, with a volume change of approximately 1.2%. The demixing transition is driven by the crystallization of MgO—the reaction only occurs below the high-pressure MgO melting curve. The predicted transition pressure at 10 000 K is in close proximity to an anomaly reported in recent laser-driven shock experiments of MgSiO3. We also present new results for the high-pressure melting curve of MgO and its B1-B2 solid phase transition, with a triple point at 364 GPa and 12 000 K.

  3. Self-healing of drying shrinkage cracks in cement-based materials incorporating reactive MgO

    NASA Astrophysics Data System (ADS)

    Qureshi, T. S.; Al-Tabbaa, A.

    2016-08-01

    Excessive drying shrinkage is one of the major issues of concern for longevity and reduced strength performance of concrete structures. It can cause the formation of cracks in the concrete. This research aims to improve the autogenous self-healing capacity of traditional Portland cement (PC) systems, adding expansive minerals such as reactive magnesium oxide (MgO) in terms of drying shrinkage crack healing. Two different reactive grades (high ‘N50’and moderately high ‘92-200’) of MgO were added with PC. Cracks were induced in the samples with restraining end prisms through natural drying shrinkage over 28 days after casting. Samples were then cured under water for 28 and 56 days, and self-healing capacity was investigated in terms of mechanical strength recovery, crack sealing efficiency and improvement in durability. Finally, microstructures of the healing materials were investigated using FT-IR, XRD, and SEM-EDX. Overall N50 mixes show higher expansion and drying shrinkage compared to 92-200 mixes. Autogenous self-healing performance of the MgO containing samples were much higher compared to control (only PC) mixes. Cracks up to 500 μm were sealed in most MgO containing samples after 28 days. In the microstructural investigations, highly expansive Mg-rich hydro-carbonate bridges were found along with traditional calcium-based, self-healing compounds (calcite, portlandite, calcium silicate hydrates and ettringite).

  4. Interfacial phases in epitaxial growth of Y{sub 2}O{sub 3} on MgO studied via combining electron energy-loss spectroscopy and real-space self-consistent full multiple scattering calculations

    SciTech Connect

    Pailloux, F.; Jublot, M.; Gaboriaud, R.J.; Jaouen, M.; Paumier, F.; Imhoff, D.

    2005-09-15

    Electron energy loss spectroscopy (EELS), high resolution transmission electron microscopy (HRTEM), and electron diffraction were used to investigate Y{sub 2}O{sub 3} thin films epitaxially grown on (001) MgO substrate. In the vicinity of the film/substrate interface, HRTEM experiments evidenced the presence of grains with various crystallographic structures most of them crystallizing in the well-known Ia3 cubic phase. Some other grains, nanometric in size, and only observed in the vicinity of the film/substrate interface, have a different and unknown crystallographic structure. EELS spectra have been acquired close to the Y{sub 2}O{sub 3}/MgO interface, to get a better knowledge of the phases nucleated close to the substrate surface. Spectra exhibiting different fine structures have been recorded and compared to multiple scattering calculations. The Ia3 phase has been detected as constituting the main component of the Y{sub 2}O{sub 3} thin film in agreement with previous observations. It is found that calculations performed in a real space self-consistent full multiple scattering scheme (SC-FMS) and experiments are in pretty good agreement even for small cluster sizes. The second family of spectra has also been compared to calculations performed for monoclinic C2/m yttrium oxide, with a little success. Another approach considering a local oxygen neighboring close to a distorted rock-salt-like structure led to a good match between experimental and calculated spectra. Our results emphasize how powerful is the combination of spectroscopic measurements at nanometer scale, as feasible with EELS and modern microscopes, with ab initio calculations for structure determination at such small scale lengths.

  5. Thin Film?

    NASA Astrophysics Data System (ADS)

    Kariper, İ. Afşin

    2014-09-01

    This study focuses on the critical surface tension of lead sulfite (PbSO3) crystalline thin film produced with chemical bath deposition on substrates (commercial glass).The PbSO3 thin films were deposited at room temperature at different deposition times. The structural properties of the films were defined and examined according to X-ray diffraction (XRD) and the XRD results such as dislocation density, average grain size, and no. of crystallites per unit area. Atomic force microscopy was used to measure the film thickness and the surface properties. The critical surface tension of the PbSO3 thin films was measured with an optical tensiometer instrument and calculated using the Zisman method. The results indicated that the critical surface tension of films changed in accordance with the average grain size and film thickness. The film thickness increased with deposition time and was inversely correlated with surface tension. The average grain size increased according to deposition time and was inversely correlated with surface tension.

  6. Polyethylene Nanocomposites for the Next Generation of Ultralow-Transmission-Loss HVDC Cables: Insulation Containing Moisture-Resistant MgO Nanoparticles.

    PubMed

    Pourrahimi, Amir Masoud; Pallon, Love K H; Liu, Dongming; Hoang, Tuan Anh; Gubanski, Stanislaw; Hedenqvist, Mikael S; Olsson, Richard T; Gedde, Ulf W

    2016-06-15

    The use of MgO nanoparticles in polyethylene for cable insulation has attracted considerable interest, although in humid media the surface regions of the nanoparticles undergo a conversion to a hydroxide phase. A facile method to obtain MgO nanoparticles with a large surface area and remarkable inertness to humidity is presented. The method involves (a) low temperature (400 °C) thermal decomposition of Mg(OH)2, (b) a silicone oxide coating to conceal the nanoparticles and prevent interparticle sintering upon exposure to high temperatures, and (c) heat treatment at 1000 °C. The formation of the hydroxide phase on these silicone oxide-coated MgO nanoparticles after extended exposure to humid air was assessed by thermogravimetry, infrared spectroscopy, and X-ray diffraction. The nanoparticles showed essentially no sign of any hydroxide phase compared to particles prepared by the conventional single-step thermal decomposition of Mg(OH)2. The moisture-resistant MgO nanoparticles showed improved dispersion and interfacial adhesion in the LDPE matrix with smaller nanosized particle clusters compared with conventionally prepared MgO. The addition of 1 wt % moisture-resistant MgO nanoparticles was sufficient to decrease the conductivity of polyethylene 30 times. The reduction in conductivity is discussed in terms of defect concentration on the surface of the moisture-resistant MgO nanoparticles at the polymer/nanoparticle interface. PMID:27203860

  7. Characterization of the MgO nano powder synthesized by using a liquid phase precursor method for plasma display panels protecting layer.

    PubMed

    Jungo, C H; Lee, J Y; Yoon, D H

    2012-02-01

    The characterization of MgO nano powders that were synthesized using a conventional firing liquid phase precursor, rapid firing liquid phase precursor and rapid cooling firing liquid phase precursor were investigated as a function of the heating and cooling rates and the concentration of the impregnated Mg(NO3)2 x 6H2O solution from 1 to 20%. The relative intensity of diffraction peak in the MgO nano powder increased with increasing firing temperature from 800 to 1200 degrees C, indicating a higher crystalline MgO nano powder. In addition, the relative intensities of the MgO nano powder synthesized at the designated temperature showed similar behavior regardless of the impregnated Mg(NO3)2 x 6H2O solution concentration from the XRD analysis. The field emission scanning electron microscope and high resolution transmission electron microscope analysis showed that the size and shape of the MgO nano powder can be controlled by the temperature, the firing and cooling processes, and the impregnated Mg(NO3)2 x 6H2O solution concentration. Moreover, the CL spectra of the synthesized MgO nano powders showed a higher luminance efficiency than commercial MgO nano powder.

  8. Polyethylene Nanocomposites for the Next Generation of Ultralow-Transmission-Loss HVDC Cables: Insulation Containing Moisture-Resistant MgO Nanoparticles.

    PubMed

    Pourrahimi, Amir Masoud; Pallon, Love K H; Liu, Dongming; Hoang, Tuan Anh; Gubanski, Stanislaw; Hedenqvist, Mikael S; Olsson, Richard T; Gedde, Ulf W

    2016-06-15

    The use of MgO nanoparticles in polyethylene for cable insulation has attracted considerable interest, although in humid media the surface regions of the nanoparticles undergo a conversion to a hydroxide phase. A facile method to obtain MgO nanoparticles with a large surface area and remarkable inertness to humidity is presented. The method involves (a) low temperature (400 °C) thermal decomposition of Mg(OH)2, (b) a silicone oxide coating to conceal the nanoparticles and prevent interparticle sintering upon exposure to high temperatures, and (c) heat treatment at 1000 °C. The formation of the hydroxide phase on these silicone oxide-coated MgO nanoparticles after extended exposure to humid air was assessed by thermogravimetry, infrared spectroscopy, and X-ray diffraction. The nanoparticles showed essentially no sign of any hydroxide phase compared to particles prepared by the conventional single-step thermal decomposition of Mg(OH)2. The moisture-resistant MgO nanoparticles showed improved dispersion and interfacial adhesion in the LDPE matrix with smaller nanosized particle clusters compared with conventionally prepared MgO. The addition of 1 wt % moisture-resistant MgO nanoparticles was sufficient to decrease the conductivity of polyethylene 30 times. The reduction in conductivity is discussed in terms of defect concentration on the surface of the moisture-resistant MgO nanoparticles at the polymer/nanoparticle interface.

  9. Interfacial electronic transport phenomena in single crystalline Fe-MgO-Fe thin barrier junctions

    SciTech Connect

    Gangineni, R. B.; Negulescu, B.; Baraduc, C.; Gaudin, G.

    2014-05-05

    Spin filtering effects in nano-pillars of Fe-MgO-Fe single crystalline magnetic tunnel junctions are explored with two different sample architectures and thin MgO barriers (thickness: 3–8 monolayers). The two architectures, with different growth and annealing conditions of the bottom electrode, allow tuning the quality of the bottom Fe/MgO interface. As a result, an interfacial resonance states (IRS) is observed or not depending on this interface quality. The IRS contribution, observed by spin polarized tunnel spectroscopy, is analyzed as a function of the MgO barrier thickness. Our experimental findings agree with theoretical predictions concerning the symmetry of the low energy (0.2 eV) interfacial resonance states: a mixture of Δ{sub 1}-like and Δ{sub 5}-like symmetries.

  10. Growth mechanism of single-crystalline NiO thin films grown by metal organic chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Roffi, Teuku Muhammad; Nozaki, Shinji; Uchida, Kazuo

    2016-10-01

    Nickel oxide (NiO) thin films were grown by atmospheric-pressure metal organic chemical vapor deposition (APMOCVD). Growth was carried out using various growth parameters, including the growth temperature, the input precursor (O2/Ni) ratio, and the type of substrate material. Effects of the growth parameters on the structural and electrical properties of the films were investigated. X-ray diffraction analysis revealed that the crystal structure and quality were strongly affected by the growth temperature and the type of substrate material. At an optimized growth temperature, single-crystalline NiO films were grown on MgO(100) and MgO(111) substrates in a cube-on-cube orientation relationship, while on an Al2O3(001) substrate, the film was grown in the NiO[111] direction. The use of MgO substrates successfully suppressed the formation of twin defects, which have been frequently reported in the growth of NiO. The difference in the formation of the twin defects on MgO and Al2O3 substrates was discussed. It was observed that the resistivity dependence on crystal quality was affected by the choice of substrate material. The effects of the precursor ratio on the transmittance and resistivity of the films were also investigated. Improved transparency in the visible wavelength region and higher conductivity were found in films grown with higher O2/Ni ratios.

  11. X-ray absorption spectroscopy and magnetic circular dichroism studies of L1{sub 0}-Mn-Ga thin films

    SciTech Connect

    Glas, M. Sterwerf, C.; Schmalhorst, J. M.; Reiss, G.; Ebke, D.; Jenkins, C.; Arenholz, E.

    2013-11-14

    Tetragonally distorted Mn{sub 3−x}Ga{sub x} thin films with 0.1MgO is problematic due to oxide formation, we examined the influence of a CoFeB interlayer and of two different deposition methods for the MgO barrier on the formation of interfacial Mn-O for Mn{sub 62}Ga{sub 38} by element specific X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD). A highly textured L1{sub 0} crystal structure of the Mn-Ga films was verified by X-ray diffraction measurements. For samples with e-beam evaporated MgO barrier no evidence for Mn-O was found whereas in samples with magnetron sputtered MgO, Mn-O was detected, even for the thickest interlayer thickness. Both XAS and XMCD measurements showed an increasing interfacial Mn-O amount with decreasing CoFeB interlayer thickness. Additional element specific full hysteresis loops determined an out-of-plane magnetization axis for the Mn and Co, respectively.

  12. Crystallization of bismuth titanate and bismuth silicate grown as thin films by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Harjuoja, Jenni; Väyrynen, Samuli; Putkonen, Matti; Niinistö, Lauri; Rauhala, Eero

    2006-01-01

    Bismuth silicate and bismuth titanate thin films were deposited by atomic layer deposition (ALD). A novel approach with pulsing of two Bi-precursors was studied to control the Si/Bi atomic ratio in bismuth silicate thin films. The crystallization of compounds formed in the Bi 2O 3-SiO 2 and Bi 2O 3-TiO 2 systems was investigated. Control of the stoichiometry of Bi-Si-O thin films was studied when deposited on Si(1 0 0) and crystallization was studied for films on sapphire and MgO-, ZrO 2- and YSZ-buffered Si(1 0 0). The Bi-Ti-O thin films were deposited on Si(1 0 0) substrate. Both Bi-Si-O and Bi-Ti-O thin films were amorphous after deposition. Highly a-axis oriented Bi 2SiO 5 thin films were obtained when the Bi-Si-O thin films deposited on MgO-buffered Si(1 0 0) were annealed at 800 °C in nitrogen. The full-width half-maximum values for 200 peak were also studied. An excess of bismuth was found to improve the crystallization of Bi-Ti-O thin films and the best crystallinity was observed with Ti/Bi atomic ratio of 0.28 for films annealed at nitrogen at 1000 °C. Roughness of the thin films as well as the concentration depth distribution were also examined.

  13. Fabrication of stable, wide-bandgap thin films of Mg, Zn and O

    DOEpatents

    Katiyar, Ram S.; Bhattacharya, Pijush; Das, Rasmi R.

    2006-07-25

    A stable, wide-bandgap (approximately 6 eV) ZnO/MgO multilayer thin film is fabricated using pulsed-laser deposition on c-plane Al2O3 substrates. Layers of ZnO alternate with layers of MgO. The thickness of MgO is a constant of approximately 1 nm; the thicknesses of ZnO layers vary from approximately 0.75 to 2.5 nm. Abrupt structural transitions from hexagonal to cubic phase follow a decrease in the thickness of ZnO sublayers within this range. The band gap of the thin films is also influenced by the crystalline structure of multilayer stacks. Thin films with hexagonal and cubic structure have band-gap values of 3.5 and 6 eV, respectively. In the hexagonal phase, Mg content of the films is approximately 40%; in the cubic phase Mg content is approximately 60%. The thin films are stable and their structural and optical properties are unaffected by annealing at 750.degree. C.

  14. Beta (β) tungsten thin films: Structure, electron transport, and giant spin Hall effect

    SciTech Connect

    Hao, Qiang; Chen, Wenzhe; Xiao, Gang

    2015-05-04

    We use a simple magnetron sputtering process to fabricate beta (β) tungsten thin films, which are capable of generating giant spin Hall effect. As-deposited thin films are always in the metastable β-W phase from 3.0 to 26.7 nm. The β-W phase remains intact below a critical thickness of 22.1 nm even after magnetic thermal annealing at 280 °C, which is required to induce perpendicular magnetic anisotropy (PMA) in a layered structure of β-W/Co{sub 40}Fe{sub 40}B{sub 20}/MgO. Intensive annealing transforms the thicker films (>22.1 nm) into the stable α-W phase. We analyze the structure and grain size of both β- and α-W thin films. Electron transport in terms of resistivity and normal Hall effect is studied over a broad temperature range of 10 K to at least 300 K on all samples. Very low switching current densities are achieved in β-W/Co{sub 40}Fe{sub 40}B{sub 20}/MgO with PMA. These basic properties reveal useful behaviors in β-W thin films, making them technologically promising for spintronic magnetic random access memories and spin-logic devices.

  15. Microstructural and Optical Characterization of Potassium Niobate Thin Films

    NASA Astrophysics Data System (ADS)

    Chow, Alice Foo Bing

    1995-01-01

    High quality epitaxial orthorhombic potassium niobate rm (KNbO_3) thin films have been grown by a computer-controlled, rotating multi -target ion-beam sputter deposition technique. Processing parameters, such as deposition temperature, beam voltage, ion source, target dwell times, pre-deposition substrate annealing, curing, and cleaning, and choice of substrate and substrate supplier are all critical conditions that have been either optimized or chosen favorably to produce dense films with a high degree of epitaxy and a smooth surface and interface. rm KNbO_3 thin films have been deposited on magnesium oxide, MgO (001), magnesium aluminate spinel, rm MgAl_2O_4 (001), and potassium tantalate, rm KTaO_3 (001) substrates. These substrates were chosen to provide a range of microstructures, lattice mismatches, and refractive index mismatches. The rm KNbO_3 films were microstructurally characterized by x-ray diffraction and rocking curves, Rutherford backscattering spectrometry and ion-channeling, transmission electron microscopy, field emission scanning electron microscopy, and atomic force microscopy. The degree of epitaxy is affected by the substrate and can be correlated with the lattice mismatch. Optical properties such as refractive index and optical scattering losses were analyzed by prism-coupling and an optical fiber loss method, respectively. Results show that the rm KNbO_3 films are dense and the optical losses seem to be dominated by bulk scattering originating from twin domains, grain boundaries or grain size, with partial contributions from surface/interface scattering. Potassium tantalum niobium oxide rm (K(Ta,Nb)O_3), KTaO_3, and amorphous tantalum oxide rm (Ta_2O _5) thin films were also grown and characterized to determine the specific roles of surface/interface scattering, twin domains, and oxygen vacancies. MgO buffer layers were also deposited on silicon, Si (001), gallium arsenide, GaAs (001), and various orientations of sapphire rm (Al_2O_3

  16. High- Tc thin-film magnetometer

    SciTech Connect

    Miklich, A.H.; Wellstood, F.C.; Kingston, J.J.; Clarke, J. ); Colclough, M.S. ); Cardona, A.H.; Bourne, L.C.; Olson, W.L.; Eddy, M.M. )

    1990-09-01

    We have constructed and tested high-{Tc} magnetometers by coupling a high-{Tc} thin-film Superconducting QUantum Interference Device (SQUID) to two different high-{Tc} thin-film flux transformers. The SQUID was made from Tl{sub 2}CaBa{sub 2}Cu{sub 2}O{sub 8+y} films grown on MgO, with junctions consisting of native grain boundaries. The flux transformers were made from YBa{sub 2}Cu{sub 3}O{sub 7-x}, and each had 10-turn input coils and a single-turn pickup loop. The first transformer, which was patterned with a combination of shadow masks and photolithography, yielded a magnetic field gain of about {minus}7.5, functioned up to 79 K, and gave a magnetic field sensitivity B{sub N} (10 Hz) {approx} 3.1 pT Hz{sup {minus}1/2}at 38 K. The second transformer, which was patterned entirely by photolithography, yielded a gain of about {minus}8.7, functioned up to 25 K, and had a sensitivity B{sub N} (10 Hz) {approx} 3.5 pT Hz{sup {minus}1/2} at 4.2 K. In both cases, the limiting noise arose in the SQUID. 10 refs., 5 figs., 1 tab.

  17. UHV and Ambient Pressure XPS: Potentials for Mg, MgO, and Mg(OH)2 Surface Analysis

    NASA Astrophysics Data System (ADS)

    Head, Ashley R.; Schnadt, Joachim

    2016-10-01

    The surface sensitivity of x-ray photoelectron spectroscopy (XPS) has positioned the technique as a routine analysis tool for chemical and electronic structure information. Samples ranging from ideal model systems to industrial materials can be analyzed. Instrumentational developments in the past two decades have popularized ambient pressure XPS, with pressures in the tens of mbar now commonplace. Here, we briefly review the technique, including a discussion of developments that allow data collection at higher pressures. We illustrate the information XPS can provide by using examples from the literature, including MgO studies. We hope to illustrate the possibilities of ambient pressure XPS to Mg, MgO, and Mg(OH)2 systems, both in fundamental and applied studies.

  18. Effect of Relative Humidity and CO2 Concentration on the Properties of Carbonated Reactive MgO Cement Based Materials

    NASA Astrophysics Data System (ADS)

    Bilan, Yaroslav

    Sustainability of modern concrete industry recently has become an important topic of scientific discussion, and consequently there is an effort to study the potential of the emerging new supplementary cementitious materials. This study has a purpose to investigate the effect of reactive magnesia (reactive MgO) as a replacement for general use (GU) Portland Cements and the effect of environmental factors (CO2 concentrations and relative humidity) on accelerated carbonation curing results. The findings of this study revealed that improvement of physical properties is related directly to the increase in CO2 concentrations and inversely to the increase in relative humidity and also depends much on %MgO in the mixture. The conclusions of this study helped to clarify the effect of variable environmental factors and the material replacement range on carbonation of reactive magnesia concrete materials, as well as providing an assessment of the optimal conditions for the effective usage of the material.

  19. Ion-beam assisted deposition of MgO with in situ RHEED monitoring to control Bi-axial texture

    SciTech Connect

    Arendt, P. N.; Foltyn, S. R.; Jia, Quanxi; DePaula, R. F.; Dowden, P. C.; Kung, H.; Holesinger, T. G.; Stan, L.; Emmert, L. A.; Peterson, E. J.; Groves, J. R.

    2001-01-01

    We have studied the growth of magnesium oxide using ion-beam assisted deposition (IBAD) to achieve (100) oriented, bi-axially textured films with low mosaic spread, for film thicknesses of 10 nm on silicon substrates. We have refined the process by using reflected high-energy electron diffraction (RHEED) to monitor the growth of IBAD MgO films and found that the diffracted intensity can be used to determine (and ultimately control) final in-plane texture of the film. Here we present results on our work to develop the use of real-time RHEED monitoring to deposit well-oriented IBAD MgO films. The results have been corroborated with extensive grazing-incidence X-ray diffraction (GID). Results of these analyses have allowed us to deposit films on metallic substrates with in-plane mosaic spread less than 7{sup o}.

  20. Tunnel magnetoresistance in epitaxially grown magnetic tunnel junctions using Heusler alloy electrode and MgO barrier

    SciTech Connect

    Tsunegi, S.; Sakuraba, Y.; Oogane, M.; Telling, N. D.; Shelford, L. R.; Arenholz, E.; van der Laan, G.; Hicken, R. J.; Takanashi, K.; Ando, Y.

    2009-07-01

    Epitaxially grown magnetic tunnel junctions (MTJs) with a stacking structure of Co{sub 2}MnSi/MgO/CoFe were fabricated. Their tunnel magnetoresistance (TMR) effects were investigated. The TMR ratio and tunnelling conductance characteristics of MTJs were considerably different between those with an MgO barrier prepared using sputtering (SP-MTJ) and those prepared using EB evaporation (EB-MTJ). The EB-MTJ exhibited a very large TMR ratio of 217% at room temperature and 753% at 2 K. The bias voltage dependence of the tunnelling conductance in the parallel magnetic configuration for the EB-MTJ suggests that the observed large TMR ratio at RT results from the coherent tunnelling process through the crystalline MgO barrier. The tunnelling conductance in the anti-parallel magnetic configuration suggests that the large temperature dependence of the TMR ratio results from the inelastic spin-flip tunnelling process.

  1. Phase transition of iron doped MgO under high pressure by first-principles study

    NASA Astrophysics Data System (ADS)

    Yang, K. S.; Li, S. L.; Zhang, J.; Zeng, Z.; Qin, X. Y.; Zhou, X. M.

    2015-07-01

    The (Mg, Fe)O solid solution is one of the major lower mantle minerals, and studying its properties and structures under high pressure is a fundamental step toward understanding Earth's deep interior. Here within the framework of density functional theory, we first discuss the relationship between the total energy and iron doped positions of (Mg, Fe)O, and find that the doped iron favors to be dispersive. Then the pressure-induced phase transitions of (Mg, Fe)O from NaCl-type (B1) to CsCl-type (B2) are probed. It is found that the phase transition pressure of (Mg, Fe)O decreases with damped oscillation, as the increase of iron concentration. This phenomenon is essentially determined by the iron concentration as well as iron doped positions. The electronic structures of MgO and (Mg0.75Fe0.25)O at 436 GPa are calculated, and the results show that the doped irons play a crucial role in the metallicity of (Mg0.75Fe0.25)O. Our results are in agreement with the experimental counterparts. This study would provide some useful information for understanding the behavior of pressure-induced phase transition and geoscience.

  2. The Investigation of Epitaxy and Morphology of Au on MgO (001), (110), and (111)

    NASA Astrophysics Data System (ADS)

    Pulliam, Timothy; Gopal, Siddharth; Pierce, Michael; Komanicky, Vladimir; You, Hoydoo; Barbour, Andi; Zhu, Chenhui

    2014-03-01

    Au nano-crystals serve a central role in catalysis and surface chemistry, with the catalytic properties of the crystals highly dependent on physical characteristics. Characteristics such as surface area to volume ratio, crystal symmetry, and surface energy define the catalytic properties. We present our analysis of the morphology of deposited Au on substrates and how they vary with macroscopic parameters. Au was evaporated onto single crystals of each of the MgO (001), (110), and (111) principal facets to study the epitaxy, morphology, and overall crystalline nature of the nano-particles on the substrates. The depositions were performed in vacuum at 700°C using an e-beam evaporator. The samples were then analysed using x-ray diffraction (XRD) and atomic force microscopy (AFM) techniques revealing epitaxy, and morphology respectively. The samples were then annealed at progressively higher temperatures and the measurements repeated. Au nano-crystals deposited on TiO2 (110) were also concurrently studied. This work and use of the Advanced Photon Source were supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The work at Safarik University was supported by Slovak grant VEGA 1/0782/12.

  3. Pure and Zn-doped Pt Clusters go Flat and Upright on MgO(100)

    SciTech Connect

    Shen, Lu; Dadras, Mostafa J.; Alexandrova, Anastassia N.

    2014-12-28

    Pure and doped sub-nanoclusters can exhibit superb catalytic activity, which, however, strongly depends on their size, shape, composition, and the nature of the support. This work is about surface-deposited sub-nano Pt-based clusters, which are promising catalysts for the reactions of dehydrogenation. Using density functional theory and ab initio calculations, and an ab initio genetic algorithm for finding the global minima of clusters, we found a peculiar effect that Pt₅ and Pt₄Zn clusters exhibit upon deposition on MgO(100). Both of them change shapes from the gas phase 3-D form to a planar form, and they stand upright on the support. Several reasons are responsible for this behaviour. In part, clusters go flat due to the electron transfer from the support. Indeed, the anionic Pt₅- and Pt₄Zn- species are flat also in the gas phase. Charging induces the second-order Jahn–Teller effect (or partial covalency) facilitated by the recruitment of the higher-energy 6p atomic orbitals on Pt into the valence manifold, and that is the reason for the planarization of the anions. Secondly, clusters maximize interactions with the surface O atoms (resulting in further favouring of 2-D structures over 3-D), and avoid contacts with surface Mg atoms (resulting in upright morphologies).

  4. First-principles calculations of the indigo encapsulation and adsorption by MgO nanotubes

    NASA Astrophysics Data System (ADS)

    Sánchez-Ochoa, F.; Cocoletzi, Gregorio H.; Canto, Gabriel I.; Takeuchi, Noboru

    2014-06-01

    We have performed ab-initio calculations to investigate the structural and electronic properties of (m,m) chiral magnesium oxide nanotubes, (m,m)MgONTs, to explore the encapsulation, inclusion, and adsorption of dyes (organic molecules) such as Indigo (IND). Studies start by determining the structural parameters of the MgO nanotubes with different diameters and the IND. The indigo encapsulation into the MgONT is studied considering four (m,m) chiralities which yield 4 different NT diameters. In the endohedral functionalization, the indigo is within the NT at a tilt angle as in previous theoretical studies of organic molecules inside carbon and boron-nitride nanotubes. Results show that the encapsulation is a strong exothermic process with the m = 6 case exhibiting the largest encapsulation energy. It is also explored the indigo adsorption on the NT surface in the parallel and perpendicular configurations. The perpendicular configuration of the IND adsorption on the (8,8)MgONT exhibits the largest energy. The indigo inclusion within the NTs meets a potential barrier when m < 6, however this barrier diminishes as the index increases. Additionally, we have determined the total density of states (DOS), partial DOS, electron charge redistributions, and the highest occupied molecular orbital-lowest unoccupied molecular orbital levels for the NTs with m = 6. Very strong binding energies and electron charge transfer from the IND to NTs is present in the atomic structures.

  5. Structure of helicoptering H2 molecules on MgO(001)

    NASA Astrophysics Data System (ADS)

    Jack, David B.; Sadeghifar, Alireza; Livingston, Christina F.; Kootnekoff, Brandon A.; Makins, Caitlyn; Hawrylo, Jennifer; Creelman, J. Brianna; McTaggart, Julie L.

    2015-11-01

    Monte Carlo (MC) simulations of helicoptering (J = 1; mj = ± 1) H2 molecules on the MgO(001) surface using rotationally averaged interaction potentials are reported and show that at the coverage Ө = 0.5 the film forms a structure with c(2 × 2) symmetry in agreement with experiment. This structure is stable up to 6 K. The unit cell is arranged in a quincunx pattern and has a density of two H2 molecules per unit cell. Each molecule sits above the cation sites with its axis of quantization pointing perpendicular to the surface on average. The unit cell symmetry is "c" type in agreement with helium atom scattering experiment and in contrast with the "p" type structures observed in previous simulations which did not include quantum mechanically averaged potentials from the start. The occurrence of defects was also observed with increasing frequency as the temperature rose. An increase in the number of defects was accompanied by greater aggregation at the expense of the c(2 × 2) structure.

  6. Adsorption of Ponceau S from aqueous solution by MgO nanoparticles

    NASA Astrophysics Data System (ADS)

    Venkatesha, T. G.; Nayaka, Y. Arthoba; Chethana, B. K.

    2013-07-01

    Ponceau S or Acid Red 112 is a widely used dye with versatile applications whose biotransformation products are toxic and is a suspected carcinogen. In the present work, magnesium oxide (MgO) nanoparticles were synthesized by precipitation method and used for the sorption of Ponceau S from aqueous solution. The effects of parameters like contact time, pH and temperature on the adsorption capacity were studied. The adsorption isotherm studies were carried out using Langmuir, Freundlich and Temkin models, of which Langmuir model was found more suitable. Pseudo-second-order model fitted well with good agreement with the experimental values of qe (equilibrium adsorption capacity). The values of thermodynamic parameters like enthalpy (ΔH°) and entropy (ΔS°) were found to be 35.71 kJ/mol and 0.127 J/K/mol, respectively. The negative values of standard free energy (ΔG°) suggested that the adsorption process is spontaneous with the energy of activation equal to 28.58 kJ/mol.

  7. Shock Response and Phase Transitions of MgO at Planetary Impact Conditions.

    PubMed

    Root, Seth; Shulenburger, Luke; Lemke, Raymond W; Dolan, Daniel H; Mattsson, Thomas R; Desjarlais, Michael P

    2015-11-01

    The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth's mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories' Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42 000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solid and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. The high pressure required for complete shock melting has implications for a broad range of planetary collision events. PMID:26588422

  8. Selective radiative cooling with MgO and/or LiF layers

    DOEpatents

    Berdahl, P.H.

    1984-09-14

    A selective radiation cooling material which is absorptive only in the 8 to 13 microns wavelength range is accomplished by placing ceramic magnesium oxide and/or polycrystalline lithium fluoride on an infrared-reflective substrate. The reflecting substrate may be a metallic coating, foil or sheet, such as aluminum, which reflects all atmospheric radiation from 0.3 to 8 microns, the magnesium oxide and lithium fluoride being nonabsorptive at those wavelengths. <10% of submicron voids in the material is permissible in which case the MgO and/or LiF layer is diffusely scattering, but still nonabsorbing, in the wavelength range of 0.3 to 8 microns. At wavelengths from 8 to 13 microns, the magnesium oxide and lithium fluoride radiate power through the ''window'' in the atmosphere, and thus remove heat from the reflecting sheet of material and the attached object to be cooled. At wavelengths longer than 13 microns, the magnesium oxide and lithium fluoride reflects the atmospheric radiation back into the atmosphere. This high reflectance is only obtained if the surface is sufficiently smooth: roughness on a scale of 1 micron is permissible but roughness on a scale of 10 microns is not. An infrared-transmitting cover or shield is mounted in spaced relationship to the material to reduce convective heat transfer. If this is utilized in direct sunlight, the infrared transmitting cover or shield should be opaque in the solar spectrum of 0.3 to 3 microns.

  9. First principles investigation of magnetocrystalline anisotropy at Full Heusler / MgO interfaces

    NASA Astrophysics Data System (ADS)

    Vadapoo, Rajasekarakumar; Hallal, Ali; Chshiev, Mairbek

    2014-03-01

    Magnetic tunnel junctions with perpendicular magnetic anisotropy (PMA) have the potential for realizing next generation high density nonvolatile memories and logic devices. The origin of high PMA in these interfaces has been explained by orbital hybridizations at interface along with spin-orbit interactions. Here we present a systematic study of PMA in Heusler alloy [X2YZ]/ MgO interfaces using first principle methods with X =Co, YZ =FeAl, MnGe and MnSi. Among the interfaces studied, we found that Co terminated interface of Co2FeAl/MgO gives rise to PMA value of 1.2erg/cm2 in agreement with recent experimental observations. On the contrary, FeAl terminated interfaces of the same structure shows in-plane magnetic anisotropy (IMA). We also found that the most of PMA contribution originates from dyz and dz2 orbitals of Co atoms at the interface. Finally, Co2MnGe and Co2MnSi structures tend to favor IMA for any termination.

  10. Improved virus removal in ceramic depth filters modified with MgO.

    PubMed

    Michen, Benjamin; Fritsch, Johannes; Aneziris, Christos; Graule, Thomas

    2013-02-01

    Ceramic filters, working on the depth filtration principle, are known to improve drinking water quality by removing human pathogenic microorganisms from contaminated water. However, these microfilters show no sufficient barrier for viruses having diameters down to 20 nm. Recently, it was shown that the addition of positively charged materials, for example, iron oxyhydroxide, can improve virus removal by adsorption mechanisms. In this work, we modified a common ceramic filter based on diatomaceous earth by introducing a novel virus adsorbent material, magnesium oxyhydroxide, into the filter matrix. Such filters showed an improved removal of about 4-log in regard to bacteriophages MS2 and PhiX174. This is explained with the electrostatic enhanced adsorption approach that is the favorable adsorption of negatively charged viruses onto positively charged patches in an otherwise negatively charged filter matrix. Furthermore, we provide theoretical evidence applying calculations according to Derjaguin-Landau-Verwey-Overbeek theory to strengthen our experimental results. However, modified filters showed a significant variance in virus removal efficiency over the course of long-term filtration experiments with virus removal increasing with filter operation time (or filter aging). This is explained by transformational changes of MgO in the filter upon contact with water. It also demonstrates that filter history is of great concern when filters working on the adsorption principles are evaluated in regard to their retention performance as their surface characteristics may alter with use.

  11. First-principles calculations of the indigo encapsulation and adsorption by MgO nanotubes

    SciTech Connect

    Sánchez-Ochoa, F. Cocoletzi, Gregorio H.; Canto, Gabriel I.; Takeuchi, Noboru

    2014-06-07

    We have performed ab-initio calculations to investigate the structural and electronic properties of (m,m) chiral magnesium oxide nanotubes, (m,m)MgONTs, to explore the encapsulation, inclusion, and adsorption of dyes (organic molecules) such as Indigo (IND). Studies start by determining the structural parameters of the MgO nanotubes with different diameters and the IND. The indigo encapsulation into the MgONT is studied considering four (m,m) chiralities which yield 4 different NT diameters. In the endohedral functionalization, the indigo is within the NT at a tilt angle as in previous theoretical studies of organic molecules inside carbon and boron-nitride nanotubes. Results show that the encapsulation is a strong exothermic process with the m = 6 case exhibiting the largest encapsulation energy. It is also explored the indigo adsorption on the NT surface in the parallel and perpendicular configurations. The perpendicular configuration of the IND adsorption on the (8,8)MgONT exhibits the largest energy. The indigo inclusion within the NTs meets a potential barrier when m < 6, however this barrier diminishes as the index increases. Additionally, we have determined the total density of states (DOS), partial DOS, electron charge redistributions, and the highest occupied molecular orbital–lowest unoccupied molecular orbital levels for the NTs with m = 6. Very strong binding energies and electron charge transfer from the IND to NTs is present in the atomic structures.

  12. Structural Properties of Alternate Monatomic Layered [Fe/Co]n Epitaxial Films on MgO Substrate

    NASA Astrophysics Data System (ADS)

    Chu, In Chang; Saki, Yoshinobu; Kawasaki, Shohei; Doi, Masaaki; Sahashi, Masashi

    2008-06-01

    Body-centered-cubic (bcc) Fe50Co50 material is reported to show a high bulk spin scattering coefficient on current perpendicular to plane-giant magneto-resistance (CPP-GMR) system. But the origin of that phenomenon does not make sure yet. We prepared artificially alternate monatomic layered (AML) [Fe/Co] 41 MLs epitaxial films (Ts: 75, 250 °C) by monatomic deposition method and investigated the topology of AML [Fe/Co]n epitaxial films on MgO substrate with different orientation (001), (011) by the scanning tunnel microscopy (STM) and reflection high energy electron diffraction (RHEED), which we could confirm Frank-van der Merwe (FM) growth mode for AML [Fe/Co]n on MgO(001) and Volmer-Weber (VW) growth mode for that on Mg(011). The roughness of surface, Ra (0.20 nm) of AML [Fe/Co] 41 MLs epitaxial film grown at 75 °C on MgO(001) is smaller than that (0.46 nm) of AML [Fe/Co] grown at 250 °C on MgO(001), which has the large terraces of over 50 nm (Ra: 0.17 nm), even though there are some valleys between large terraces. Moreover we confirmed the structural properties of trilayered epitaxial films with AML [Fe/Co]n (Ra: 0.18 nm) and Fe50Co50 alloy epitaxial film on Au electrode by RHEED before confirming the characteristics of CPP-GMR devices.

  13. Quantitative TEM-based phase retrieval of MgO nano-cubes using the transport of intensity equation.

    PubMed

    Petersen, Tim C; Keast, Vicki J; Paganin, David M

    2008-08-01

    Through focus series of images are collected from MgO nano-cube crystals in the transmission electron microscope (TEM). The experimental data is used to solve the transport of intensity equation (TIE) to retrieve phase maps, which portray the morphology of the cubes and are quantified by the mean inner potential V(0). Particular attention is given to the practical difficulties associated with TIE phase retrieval of non-conducting polyhedron particles.

  14. Growth of single-crystalline Cu2O (111) film on ultrathin MgO modified α-Al2O3 (0001) substrate by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Li, Junqiang; Mei, Zengxia; Ye, Daqian; Liang, Huili; Liu, Yaoping; Du, Xiaolong

    2012-08-01

    We report the synthesis of Cu2O single crystalline films on the c-plane α-Al2O3 substrate by radio-frequency plasma assisted molecular beam epitaxy. An ultrathin MgO layer was adopted to modify the complex surface structure of sapphire (0001) and engineer the interfacial atomic matching between the epilayer and the substrate. The experimental results solidly proved the single crystallinity of cubic Cu2O (111) without twin crystals. A coincident match mode was proposed to explain the unusual in-plane orientation between strained MgO (111) and Cu2O (111). It was found that the crystal quality of Cu2O is very sensitive to the thickness of MgO layer, which is optimized to be ˜2 nm. The reason why MgO has a critical thickness in Cu2O single crystal growth was also tentatively discussed.

  15. Rutherford Backscattering and Channeling Studies of Mg and Fe Diffusion at the Interface of gamma-Fe₂O₃(001)/MgO(001)

    SciTech Connect

    Thevuthasan, Suntharampillai; Jiang, Weilin; McCready, David E.; Chambers, Scott A.

    1999-12-01

    Investigates the crystalline quality of an epitaxially grown gamma-FeO(001) film on Mg/O(001) substrate along with the Mg and Fe inter-diffusion using Rutherford Backscattering and channeling experiments.

  16. Effects of MgO Nano Particles on Microstructural and Mechanical Properties of Aluminum Matrix Composite prepared via Powder Metallurgy Route

    NASA Astrophysics Data System (ADS)

    Baghchesara, Mohammad Amin; Abdizadeh, Hossein; Baharvandi, Hamid Reza

    The objective of the present investigation was to evaluate the microstructural and mechanical properties of Al/nano MgO composite prepared via powder metallurgy method. Pure atomized aluminum powder with an average particle size of 1μm and MgO particulate with an average particle size between 60 to 80 nm were used. Composites containing 1.5, 2.5 and 5 percent of volume fraction of MgO were prepared by powder metallurgy method. The specimens were pressed by Cold Isostatic Press machine (CIP), subsequently were sintered at 575, 600 and 625°C. After sintering and preparing the samples, mechanical properties were measured. The results of microstructure, compression and hardness tests indicated that addition of MgO particulates to aluminum matrix composites improves the mechanical properties.

  17. Fabrication of Fully Epitaxial CoFe/MgO/CoFe Magnetic Tunnel Junctions on Ge(001) Substrates via a MgO Interlayer

    NASA Astrophysics Data System (ADS)

    Li, Gui-fang; Taira, Tomoyuki; Liu, Hong-xi; Matsuda, Ken-ichi; Uemura, Tetsuya; Yamamoto, Masafumi

    2012-09-01

    Fully epitaxial magnetic tunnel junctions (MTJs) with Co50Fe50 (CoFe) electrodes and a MgO barrier were fabricated on Ge(001) single-crystal substrates via a MgO interlayer. Microfabricated CoFe/MgO/CoFe MTJs with a 10-nm-thick MgO interlayer showed a high tunnel magnetoresistance (TMR) ratio of 218% at 293 K, which is encouraging for monolithic integration of MTJs and Ge field-effect transistors for constructing future-generation nonvolatile logic circuits featuring ultralow-power consumption. Furthermore, MTJs with even a decreased MgO interlayer thickness of 1.0 nm showed a relatively high TMR ratio of 110% at 293 K, suggesting the promise of heterostructures consisting of MTJ/MgO interlayer/Ge(001) as a key device structure for spin injection into a Ge channel from an MTJ.

  18. Visible Color Tunable Emission in Three-Dimensional Light Emitting Diodes by MgO Passivation of Pyramid Tip.

    PubMed

    Kim, Ji-Hyun; Ye, Byeong Uk; Park, Joonmo; Yoo, Chul Jong; Kim, Buem Joon; Jeong, Hu Young; Hur, Jin-Hoe; Kim, Jong Kyu; Lee, Jong-Lam; Baik, Jeong Min

    2015-12-23

    We demonstrated visible color tunable three-dimensional (3D) pyramidal light emitting diodes by depositing the MgO on and near the tip of the pyramid as an insulating layer. Here, we show that the degradation of the materials (i.e., p-GaN) crystallinity and the built-in electric field due to the nanoscale geometry of the tip region is responsible for the large leakage current observed in LEDs. Confocal scanning electroluminescence microscopy images clearly showed that the intensity of the light emitted out of the side facet of the pyramid is much higher than that of the light extracted out of the tip surface, indicating that the MgO layer prohibited the carrier injection to the MQWs layer, suppressing the leakage occurring at or near the tip region of the pyramids. The color range of the LEDs can be also tuned by using the MgO layer, a blue-shift by 10.3 nm in the wavelength. This technique is simple and scalable, providing a promising solution for developing 3D pyramidal LEDs with low leakage current and controllable light emission.

  19. Evaluation of novel reactive MgO activated slag binder for the immobilisation of lead and zinc.

    PubMed

    Jin, Fei; Al-Tabbaa, Abir

    2014-12-01

    Although Portland cement is the most widely used binder in the stabilisation/solidification (S/S) processes, slag-based binders have gained significant attention recently due to their economic and environmental merits. In the present study, a novel binder, reactive MgO activated slag, is compared with hydrated lime activated slag in the immobilisation of lead and zinc. A series of lead or zinc-doped pastes and mortars were prepared with metal to binder ratio from 0.25% to 1%. The hydration products and microstructure were studied by X-ray diffraction, thermogravimetric analysis and scanning electron microscopy. The major hydration products were calcium silicate hydrate and hydrotalcite-like phases. The unconfined compressive strength was measured up to 160 d. Findings show that lead had a slight influence on the strength of MgO-slag paste while zinc reduced the strength significantly as its concentration increased. Leachate results using the TCLP tests revealed that the immobilisation degree was dependent on the pH and reactive MgO activated slag showed an increased pH buffering capacity, and thus improved the immobilisation efficiency compared to lime activated slag. It was proposed that zinc was mainly immobilised within the structure of the hydrotalcite-like phases or in the form of calcium zincate, while lead was primarily precipitated as the hydroxide. It is concluded, therefore, that reactive MgO activated slag can serve as clinker-free alternative binder in the S/S process. PMID:25123653

  20. Addition of MgO Nanoparticles to Carbon Structural Steel and the Effect on Inclusion Characteristics and Microstructure

    NASA Astrophysics Data System (ADS)

    Gao, Xiangzhou; Yang, Shufeng; Li, Jingshe; Liao, Hang; Gao, Wei; Wu, Tuo

    2016-04-01

    An innovative approach for pre-dispersing MgO nanoparticles with AlSi alloy nanoparticles was established, and the nanoparticles were dispersed well in carbon structural steel. After adding different mass fractions of MgO nanoparticles in steel, the majority of inclusions contained MgO·Al2O3 spinel and MgO-Al2O3-bearing hybrid inclusion, and these inclusions promoted acicular ferrite (AF) formation. With increasing amount of added nanoparticles, the average inclusion size increased from 0.90 to 1.50 μm and the inclusion size was considerably refined, but the ability of inclusions to induce AF was greatly declined. It was revealed that the inclusion size was the decisive factor influencing the inducing ability of inclusions for AF, which also got a solid support from the nucleation thermomechanical and dynamic analyses. When the mass fraction of MgO nanoparticles reached 0.05 pct, the proportion of AF in microstructure is relatively larger and the degree of interlocking of the AF within the microstructure was optimized. The ferrite grains also got refined and the average grain size decreased by more than 94 pct compared with that of the original steel.

  1. Enhanced field emission from ZnO nanowire arrays utilizing MgO buffer between seed layer and silicon substrate

    NASA Astrophysics Data System (ADS)

    Chen, Si; Chen, Jiangtao; Liu, Jianlin; Qi, Jing; Wang, Yuhua

    2016-11-01

    Field emitters based on ZnO nanowires and other nanomaterials are promising high-brightness electron sources for field emission display, microscopy and other applications. The performance of a ZnO nanowire field emitter is linked to the quality, conductivity and alignment of the nanowires on a substrate, therefore requiring ways to improve these parameters. Here, ZnO nanowire arrays were grown on ZnO seed layer on silicon substrate with MgO buffer between the seed layer and Si. The turn-on field and enhancement factor of these nanowire arrays are 3.79 V/μm and 3754, respectively. These properties are improved greatly compared to those of ZnO nanowire arrays grown on ZnO seed layer without MgO buffer, which are 5.06 V/μm and 1697, respectively. The enhanced field emission properties can be attributed to better electron transport in seed layer, and better nanowire alignment because of MgO buffer.

  2. Nucleation and mobility model of Agn clusters adsorbed on perfect and oxygen vacancy MgO surfaces.

    PubMed

    Liu, Yongfei; Wang, Yan; Chen, Guangju

    2011-05-01

    The structures and energy properties for Ag(n) (n = 1-8) metal clusters adsorbed on the perfect and oxygen vacancy MgO surfaces have been studied by using the DFT/UB3LYP method with an embedded cluster model. The nucleation and mobility model for the Ag(n) (n = 1-8) clusters on the perfect and oxygen vacancy MgO(100) surfaces was investigated. The results show that the Ag atoms locate initially at the surface oxygen vacancy sites; then, with the growth of Ag cluster sizes, the large Ag clusters move possibly out of the vacancy sites by a rolling model, and diffuse on the MgO surface under a certain temperature condition. The relative energies needed for moving out of the oxygen vacancy region for the adsorbed Ag(n) clusters with the rolling model have been predicted. The even-odd oscillation behaviors for the cohesive energies, nucleation energies, first ionization potentials and HOMO-LUMO gaps of the adsorbed Ag(n) clusters with the variation of cluster sizes have also been discussed.

  3. Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes

    SciTech Connect

    Sterrer, Martin; Berger, Thomas; Diwald, Oliver; Knoezinger, Erich; Sushko, Peter V.; Shluger, Alexander L.

    2005-08-08

    We used UV light to generate site-selective O{sup -} hole centers at three-coordinated corner oxygen sites on MgO nanocubes. These highly reactive O{sup -} radicals split H{sub 2} homolytically and, in the course of this reaction, become hydroxylated and produce hydrogen atoms. The hydrogen atoms adsorb predominantly at cube edges and dissociate into surface-trapped electrons and protons. We propose that the experimentally observed (H{sup +})(e{sup -}) centers are formed adjacent to the hydroxyl groups generated in the homolytic splitting process and can be defined as (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub NC} centers where 3C and NC refer to the coordination numbers of the corresponding hydroxylated oxygen sites. Our ab initio embedded cluster calculations reveal that the electronic properties of (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub 4C} centers situated along MgO nanocube edges are consistent with both the electron-paramagnetic-resonance signal parameters and the reported optical-absorption properties. The transformation of corner O{sup -} centers into the (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub NC}-type centers prevents their recombination with electronic surface centers and, hence, significantly alters the electronic structure of MgO nanocubes by introducing shallow electron traps.

  4. Interface magnetic moments enhancement of FePt-L10/MgO(001): An ab initio study

    NASA Astrophysics Data System (ADS)

    Cuadrado, R.; Chantrell, R. W.

    2014-03-01

    The interface between FePt-L10 and MgO(001) alloys has been studied using density-functional calculations. Because the stacking of the face-centered tetragonal L10 phase is formed by alternating Fe and Pt planes, both the Fe- and Pt-terminated contact layers were studied. Furthermore, due to the large mismatch between the in-plane lattice constants of both systems, we have chosen some common a values for both alloys in order to explore in detail the adsorption energy, the electronic structure, and the interface magnetism. The adsorption energy has been calculated by subtracting the energy of clean FePt and MgO alloys from the total energy. The preferred adsorbed geometric sites for Fe/Pt atoms are when they lie on top of the O species, having a smaller adsorption energy for the remaining positions. We found that expanding the MgO lattice enhances the magnetic moment of the Fe species but the Pt moments remain almost constant.

  5. Oxide coating mechanism during fluidized bed reduction: solid-state reaction characteristics between iron ore particles and MgO

    NASA Astrophysics Data System (ADS)

    Guo, Lei; Gao, Jin-tao; Zhong, Yi-wei; Gao, Han; Guo, Zhan-cheng

    2016-09-01

    Experiments on the solid-state reaction between iron ore particles and MgO were performed to investigate the coating mechanism of MgO on the iron ore particles' surface during fluidized bed reduction. MgO powders and iron ore particles were mixed and compressed into briquettes and, subsequently, roasted at different temperatures and for different time periods. A Mg-containing layer was observed on the outer edge of the iron ore particles when the roasting temperature was greater than 1173 K. The concentration of Fe in the Mg-containing layer was evenly distributed and was approximately 10wt%, regardless of the temperature change. Boundary layers of Mg and Fe were observed outside of the iron ore particles. The change in concentration of Fe in the boundary layers was simulated using a gas-solid diffusion model, and the diffusion coefficients of Fe and Mg in these layers at different temperatures were calculated. The diffusion activation energies of Fe and Mg in the boundary layers in these experiments were evaluated to be approximately 176 and 172 kJ/mol, respectively.

  6. The influence of an MgO nanolayer on the planar Hall effect in NiFe films

    SciTech Connect

    Li, Minghua; Zhao, Zhiduo; Ma, Lin; Lu, Xiangan; Teng, Jiao; Yu, Guanghua; Yu, Guoqiang; Amiri, Pedram Khalili; Wang, Kang L.; Zhou, Wenping

    2015-03-28

    The Planar Hall Effect (PHE) in NiFe films was studied using MgO as the buffer and capping layer to reduce the shunt effect. The thermal annealing was found to be effective in increasing the sensitivity. The sensitivity of the magnetic field reached as high as 865 V/AT in a MgO (3 nm)/NiFe (5 nm)/MgO(3 nm)/Ta(3 nm) structure after annealing at 500 °C for 2 h, which is close to the sensitivity of semiconductor Hall Effect (HE) sensors. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) were used to study the sample. The results show that the top crystallization of MgO and NiFe (111) texture were improved by proper annealing. The smooth and clear bottom MgO/NiFe and top NiFe/MgO interface is evident from our data. In addition, the shunt current of Ta was decreased. These combined factors facilitate the improvement of the sensitivity of the magnetic field.

  7. Fe 3O 4 films grown by laser ablation on mica with and without MgO buffer layers

    NASA Astrophysics Data System (ADS)

    Kennedy, R. J.; Stampe, P. A.

    1999-05-01

    Fe 3O 4 and MgO films have been grown on (0 0 1) mica substrates by ablation of an Fe or Mg metal target in an oxygen atmosphere using the fundamental frequency of a Nd : YAG laser. X-ray measurements show that the MgO films are epitaxial and (1 1 1) oriented. The Fe 3O 4 films grown on bare mica substrates are (1 1 1) oriented and random in plane. The introduction of an MgO buffer layer between the mica and the Fe 3O 4 films results in epitaxial (1 1 1) growth of Fe 3O 4. Room temperature high-field magnetization measurements of the random in plane Fe 3O 4/mica films are the same as for the epitaxial Fe 3O 4/MgO/mica films. The out of plane coercivities are almost twice as large as the in-plane coercivities, in contrast to ferrite films grown on Si and GaAs for which Hc|| ˜ Hc⊥ .

  8. Nano SiO2 and MgO Improve the Properties of Porous β-TCP Scaffolds via Advanced Manufacturing Technology

    PubMed Central

    Gao, Chengde; Wei, Pingpin; Feng, Pei; Xiao, Tao; Shuai, Cijun; Peng, Shuping

    2015-01-01

    Nano SiO2 and MgO particles were incorporated into β-tricalcium phosphate (β-TCP) scaffolds to improve the mechanical and biological properties. The porous cylindrical β-TCP scaffolds doped with 0.5 wt % SiO2, 1.0 wt % MgO, 0.5 wt % SiO2 + 1.0 wt % MgO were fabricated via selective laser sintering respectively and undoped β-TCP scaffold was also prepared as control. The phase composition and mechanical strength of the scaffolds were evaluated. X-ray diffraction analysis indicated that the phase transformation from β-TCP to α-TCP was inhibited after the addition of MgO. The compressive strength of scaffold was improved from 3.12 ± 0.36 MPa (β-TCP) to 5.74 ± 0.62 MPa (β-TCP/SiO2), 9.02 ± 0.55 MPa (β-TCP/MgO) and 10.43 ± 0.28 MPa (β-TCP/SiO2/MgO), respectively. The weight loss and apatite-forming ability of the scaffolds were evaluated by soaking them in simulated body fluid. The results demonstrated that both SiO2 and MgO dopings slowed down the degradation rate and improved the bioactivity of β-TCP scaffolds. In vitro cell culture studies indicated that SiO2 and MgO dopings facilitated cell attachment and proliferation. Combined addition of SiO2 and MgO were found optimal in enhancing both the mechanical and biological properties of β-TCP scaffold. PMID:25815597

  9. Promoting alkali and alkaline-earth metals on MgO for enhancing CO2 capture by first-principles calculations.

    PubMed

    Kim, Kiwoong; Han, Jeong Woo; Lee, Kwang Soon; Lee, Won Bo

    2014-12-01

    Developing next-generation solid sorbents to improve the economy of pre- and post-combustion carbon capture processes has been challenging for many researchers. Magnesium oxide (MgO) is a promising sorbent because of its moderate sorption-desorption temperature and low heat of sorption. However, its low sorption capacity and thermal instability need to be improved. Various metal-promoted MgO sorbents have been experimentally developed to enhance the CO2 sorption capacities. Nevertheless, rigorous computational studies to screen an optimal metal promoter have been limited to date. We conducted first-principles calculations to select metal promoters of MgO sorbents. Five alkali (Li-, Na-, K-, Rb-, and Cs-) and 4 alkaline earth metals (Be-, Ca-, Sr-, and Ba-) were chosen as a set of promoters. Compared with the CO2 adsorption energy on pure MgO, the adsorption energy on the metal-promoted MgO sorbents is higher, except for the Na-promoter, which indicates that metal promotion on MgO is an efficient approach to enhance the sorption capacities. Based on the stabilized binding of promoters on the MgO surface and the regenerability of sorbents, Li, Ca, and Sr were identified as adequate promoters among the 9 metals on the basis of PW91/GGA augmented with DFT+D2. The adsorption energies of CO2 on metal-promoted MgO sorbents for Li, Ca, and Sr atoms are -1.13, -1.68, and -1.48 eV, respectively. PMID:25319405

  10. Nano SiO2 and MgO improve the properties of porous β-TCP scaffolds via advanced manufacturing technology.

    PubMed

    Gao, Chengde; Wei, Pingpin; Feng, Pei; Xiao, Tao; Shuai, Cijun; Peng, Shuping

    2015-03-25

    Nano SiO2 and MgO particles were incorporated into β-tricalcium phosphate (β-TCP) scaffolds to improve the mechanical and biological properties. The porous cylindrical β-TCP scaffolds doped with 0.5 wt % SiO2, 1.0 wt % MgO, 0.5 wt % SiO2 + 1.0 wt % MgO were fabricated via selective laser sintering respectively and undoped β-TCP scaffold was also prepared as control. The phase composition and mechanical strength of the scaffolds were evaluated. X-ray diffraction analysis indicated that the phase transformation from β-TCP to α-TCP was inhibited after the addition of MgO. The compressive strength of scaffold was improved from 3.12 ± 0.36 MPa (β-TCP) to 5.74 ± 0.62 MPa (β-TCP/SiO2), 9.02 ± 0.55 MPa (β-TCP/MgO) and 10.43 ± 0.28 MPa (β-TCP/SiO2/MgO), respectively. The weight loss and apatite-forming ability of the scaffolds were evaluated by soaking them in simulated body fluid. The results demonstrated that both SiO2 and MgO dopings slowed down the degradation rate and improved the bioactivity of β-TCP scaffolds. In vitro cell culture studies indicated that SiO2 and MgO dopings facilitated cell attachment and proliferation. Combined addition of SiO2 and MgO were found optimal in enhancing both the mechanical and biological properties of β-TCP scaffold.

  11. Effect of MgO content in sinter on the softening-melting behavior of mixed burden made from chromium-bearing vanadium-titanium magnetite

    NASA Astrophysics Data System (ADS)

    Liu, Zheng-gen; Chu, Man-sheng; Wang, Hong-tao; Zhao, Wei; Xue, Xiang-xin

    2016-01-01

    The effect of sinter with different MgO contents on the softening-melting behavior of mixed burden made from chromium- bearing vanadium-titanium magnetite was investigated. The results show that with increasing MgO content in the sinter, the softening interval and melting interval increased and the location of the cohesive zone shifted downward slightly and became moderately thicker. The softening-melting characteristic value was less pronounced when the MgO content in the sinter was 2.98wt%-3.40wt%. Increasing MgO content in the sinter reduced the content and recovery of V and Cr in the dripped iron. In addition, greater MgO contents in the sinter resulted in the generation of greater amounts of high-melting-point components, which adversely affected the permeability of the mixed burden. When the softening-melting behavior of the mixed burden and the recovery of valuable elements were taken into account, proper MgO contents in the sinter and slag ranged from 2.98wt% to 3.40wt% and from 11.46wt% to 12.72wt%, respectively, for the smelting of burden made from chromium-bearing vanadium-titanium magnetite in a blast furnace.

  12. Improvement of Resistance to Slag Penetration in Magnesia-Based Refractory with Colloidal Alumina Addition II by Means of a Proper Particle Size Distribution of MgO

    NASA Astrophysics Data System (ADS)

    Wang, Huijun; Sichen, Du

    2016-06-01

    By addition of colloidal alumina, three different particle sizes of dead burnt MgO were employed as raw materials to prepare MgO-based spinel substrates at 1773 K (1500 °C). It was found that the particle size of MgO, as well as its size distribution, had substantial impact on the resistance of the refractory to the slag penetration at 1873 K (1600 °C). Using relatively small particles of MgO (<0.5 mm) can efficiently limit the slag penetration, due to the formation of solid phases (CaO·Al2O3 and CaO-MgO-Al2O3) at the grain boundaries. A particularly significant improvement against the slag penetration was found on MgO substrates with a proper particle size distribution in a size range of 0-1 mm. The improvement could be mainly related to the higher density and distribution of spinel phase in the MgO matrix, which is mostly located at the borders of large MgO particles.

  13. Microstructure and dielectric tunable properties of Ba0.6Sr0.4TiO3-Mg2SiO4-MgO composite.

    PubMed

    He, Yanyan; Xu, Yebin; Liu, Ting; Zeng, Chunlian; Chen, Wanping

    2010-07-01

    Ba(0.6)Sr(0.4)TiO(3)-Mg(2)SiO(4)-MgO composite ceramics were prepared by a solid-state reaction method and their dielectric tunable characteristics were investigated for the potential application as microwave tunable materials. The addition of Mg(2)SiO(4)-MgO into Ba(0.6)Sr(0.4)TiO(3) forms ferroelectric (Ba(0.6)Sr(0.4)TiO(3))-dielectric (Mg(2)SiO(4)-MgO) composites and shifts the Curie temperature to a lower temperature. The dielectric constant and loss tangent of Ba(0.6)Sr(0.4)TiO(3)-Mg(2)Si(O4)- MgO composites have been decreased and the overall tunability is maintained at a sufficiently high level. The microwave dielectric properties of Ba(0.6)Sr(0.4)TiO(3)-Mg(2)Si(O4)-MgO composites were evaluated. Ba(0.6)Sr(0.4)TiO(3)-Mg(2)SiO(4)-MgO composites have tunability of 9.2 to 10.5% at 100 kHz under 2 kV/mm, indicating that it is a promising candidate material for tunable microwave applications requiring a low dielectric constant.

  14. Solidification/stabilisation of electric arc furnace waste using low grade MgO.

    PubMed

    Cubukcuoglu, B; Ouki, S K

    2012-02-01

    This study aims to evaluate the potential of low grade MgO (LGMgO) for the stabilisation/solidification (S/S) of heavy metals in steel electric arc furnace wastes. Relevant characteristics such as setting time, unconfined compressive strength (UCS) and leaching behaviour assessed by acid neutralisation capacity (ANC), monolithic and granular leaching tests were examined in light of the UK landfill Waste Acceptance Criteria (WAC) for disposal. The results demonstrated that all studied mix designs with Portland cement type 1 (CEM1) and LGMgO, CEM1-LGMgO 1:2 and 1:4 at 40% and 70% waste addition met the WAC requirements by means of UCS, initial and final setting times and consistence. Most of the ANC results met the WAC limits where the threshold pH values without acid additions were stable and between 11.9 and 12.2 at 28d. Granular leaching results indicate fixation of most of the metals at all mix ratios. An optimum ratio was obtained at CEM1-LGMgO 1:4 at 40% waste additions where none of the metals leaching exceeded the WAC limits and hence may be considered for landfill disposal. The monolithic leaching test results showed that LGMgO performed satisfactorily with respect to S/S of Zn, as the metal component present at the highest concentration level in the waste exhibited very little leaching and passed the leaching test requirement at all mix ratios studied. However, its performance with respect to Pb, Cd and Cr was less effective in reducing their leaching suggesting a higher cumulative rate under those leaching regimes.

  15. Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects

    NASA Astrophysics Data System (ADS)

    Panigrahi, Puspamitra; Moyses Araujo, C.; Hussen, Tanveer; Ahuja, Rajeev

    2014-06-01

    We have employed first-principles calculations based on density functional theory (DFT) to investigate the underlying physics of unusual magnetism in Mn-doped MgO surface. We have studied two distinct scenarios. In the first one, two Mn atoms are substitutionally added to the surface, occupying the Mg sites. Both are stabilized in the Mn^{3+} valence state carrying a local moment of 4.3 {{\\mu }_{B}} having a high-spin configuration. The magnetic interaction between the local moments display a very short-ranged characteristic, decaying very quickly with distance, and having antiferromagnetic ordering lower in energy. The energetics analysis also indicates that the Mn ions prefer to stay close to each other with an oxygen atom bridging the local interaction. In the second scenario, we started exploring the effect of native defects on the magnetism by crafting both Mg and O vacancies, which are p- and n-type defects, respectively. It is found that the electrons and holes affect the magnetic interaction between Mn ions in a totally different manner. The n-type defect leads to very similar magnetism, with the AFM configuration being energetically preferred. However, in the presence of Mg vacancy, the situation is quite different. The Mn atoms are further oxidized, giving rise to mixed Mn(d) ionic states. As a consequence, the Mn atoms couple ferromagnetically, when placed in the close configuration, and the obtained electronic structure is coherent with the double-exchange type of magnetic interaction. To guarantee the robustness of our results, we have benchmarked our calculations with three distinct theory levels, namely DFT-GGA, DFT-GGA+U and DFT-hybrid functionals. On the surface, the Mg vacancy displays lower formation energy occurring at higher concentrations. Therefore, our model systems can be the basis to explain a number of controversial results regarding transition metal doped oxides.

  16. Ligand-free osmium clusters supported on MgO. A density functional study

    SciTech Connect

    Goellner, J.F.; Neyman, K.M.; Mayer, M.; Noertemann, F.; Gates, B.C.; Roesch, N.

    2000-03-21

    The interactions of Os{sub 4}, Os{sub 5}, and Os{sub 5}C clusters with various sites of a MgO(001) support were investigated theoretically with the aid of a scalar-relativistic density functional cluster model method. Adsorption geometries of C{sub 4{upsilon}} clusters centered above a magnesium cation and the Os atoms oriented either to the nearest surface oxygen anions (A) or between them (B) were considered. The influence of surface V{sub s} and V{sub s}{sup 2{minus}} defects on the adsorption of the clusters was also investigated. The calculated base Os-Os distances in supported Os{sub 5} and Os{sub 5}C square-pyramidal clusters are at most 0.1 {angstrom} longer (2.5--2.6{angstrom}) than the values calculated for the corresponding free osmium cluster but about 0.4{angstrom} (or more) shorter than the values determined by EXAFS spectroscopy for MgO-powder-supported clusters formed by decarbonylation of [Os{sub 5}C(CO){sub 14}]{sup 2{minus}} and shown to retains the Os{sub 5}C frame. The experimental Os-Os distances characterizing the supported clusters are close to the experimental and calculated bond lengths for coordinatively saturated osmium carbonyl clusters; the result favors the suggestion that the supported clusters characterized by EXAFS spectroscopy were not entirely ligand-free. The models reported here are inferred to be too simplified to capture all the pertinent structural details of MgO-powder-supported osmium clusters, but they are sufficient to indicate a significant role of defect sites in the adsorption of supported osmium clusters and, the authors infer, other transition metal clusters.

  17. Modeling plasticity of MgO at the mesoscale using 2.5D Dislocation Dynamics.

    NASA Astrophysics Data System (ADS)

    Reali, R.; Cordier, P.; Carrez, P.; Gouriet, K.; Boioli, F.

    2015-12-01

    In the lower mantle, viscosity results from the rheological behavior of the two main constituent minerals, namely (Mg,Fe,Al)SiO3bridgmanite and (Mg,Fe)O ferropericlase. Understanding how these phases deform is thus of primary importance in geophysics. This is also a very challenging task, since the extreme conditions to which the lower mantle aggregate is subjected are not reachable in laboratory experiments. In this study, the contribution of dislocations to the deformation of periclase at the mesoscale is investigated by Dislocation Dynamics (DD) simulations, a modeling tool which considers the collective motion and interaction of dislocations. Dislocations are expected to be one of the most efficient strain producing mechanisms. To model their behavior a so-called 2.5D DD approach is employed. Within this method, dislocations are considered as straight segments perpendicular to a 2D reference plane and local rules are added to mimic 3D behavior [1]. Furthermore, both the glide and climb mechanisms can be taken into account [2]. Before simulating the deformation of MgO under P, T and strain rate conditions of the lower mantle, it is necessary to benchmark the model at ambient pressure, in order to compare the simulated behavior with experiments performed in the same conditions. At high temperatures (1500-1900 K) the strain-controlling mechanism results from the interactions between dislocations. In this regime the influence of climb may be important: to investigate the competition between glide and climb mechanisms, creep simulations in pure glide conditions were performed in a wide range of temperatures and applied stresses and compared to simulations where climb is explicitly included. Power law creep parameters are evaluated and compared with experimental data. [1] D. Ǵomez-Garćıa, B. Devincre, and L. P. Kubin, Phys. Rev. Lett. 96, 125503 (2006). [2] F. Boioli, P. Carrez, P. Cordier, B. Devincre, and , M. Marquille, accepted Phys. Rev. B (2015).

  18. Preparation and characterization of Ba(ZrxTi1-x)O3 thin films for high-frequency applications

    NASA Astrophysics Data System (ADS)

    Woong, Kim Jin; Shima, Hiromi; Yamamoto, Takashi; Yasui, Shintaro; Funakubo, Hiroshi; Yamada, Tomoaki; Nishida, Ken

    2014-09-01

    Ba(ZrxTi1-x)O3 (BZT) thin films were deposited on a (100)MgO substrate by RF-magnetron reactive sputtering using metal targets. In this paper, a model of the reactive sputtering process using a metal composite target at different reactive gas flow rates is presented. 500-nm-thick BZT thin (x = 0.26) films for high frequency performance showed a single perovskite phase and a high crystallinity on the MgO substrate with only a (001)/(100) orientation at an optimum reactive gas flow rate in Ar + O2. The BZT films had a stoichiometric Ba/Ti ratio and epitaxially grew on the MgO substrate. They showed a dense microstructure without cracks or voids. Their low capacitance and loss tangent showed little dispersion at 1-18 GHz. These results indicated that we succeeded in depositing high-quality and potentially tunable ferroelectric BZT films for high-frequency applications by RF-magnetron reactive sputtering using metal targets.

  19. Growth of thin Fe(0 0 1) films for terahertz emission experiments

    NASA Astrophysics Data System (ADS)

    Meserole, C. A.; Fisher, G. L.; Hilton, D. J.; Averitt, R. D.; Funk, D. J.; Taylor, A. J.

    2007-06-01

    The electrical and magnetic properties of thin iron (Fe) films have sparked significant scientific interest. Our interest, however, is in the fundamental interactions between light and matter. We have discovered a novel application for thin Fe films. These films are sources of terahertz (THz) radiation when stimulated by an incident laser pulse. After intense femtosecond pulse excitation by a Ti:sapphire laser, these films emit picosecond, broadband THz frequencies. The terahertz emission provides a direct measure of the induced ultrafast change in magnetization within the Fe film. The THz generation experiments and the growth of appropriate thin Fe films for these experiments are discussed. Several criteria are used to select the substrate and film growth conditions, including that the substrate must permit the epitaxial growth of a continuous, monocrystalline or single crystal film, yet must also be transparent to the emitted THz radiation. An Fe(0 0 1) film grown on the (0 0 1) surface of a magnesium oxide (MgO) substrate makes an ideal sample. The Fe films are grown by physical vapor deposition (PVD) in an ultrahigh vacuum (UHV) system. Low energy electron diffraction (LEED) and Auger electron spectroscopy (AES) are used to characterize the Fe(0 0 1) films. Two substrate surface preparation methods are investigated. Fe(0 0 1) films grown on MgO(0 0 1) substrates that are used as-received and films grown on MgO(0 0 1) substrates that have been UV/ozone-cleaned ex vacuo and annealed in vacuo produce the same results in the THz generation experiments. Either substrate preparation method permits the growth of samples suitable for the THz emission experiments.

  20. PZT thin films for piezoelectric MEMS mechanical energy harvesting

    NASA Astrophysics Data System (ADS)

    Yeager, Charles

    This thesis describes the optimization of piezoelectric Pb(ZrxTi 1-x)O3 (PZT) thin films for energy generation by mechanical energy harvesting, and self-powered micro-electro-mechanical systems (MEMS). For this purpose, optimization of the material was studied, as was the incorporation of piezoelectric films into low frequency mechanical harvesters. A systematic analysis of the energy harvesting figure of merit was made. As a figure of merit (e31,ƒ)2/epsilon r (transverse piezoelectric coefficient squared over relative permittivity) was utilized. PZT films of several tetragonal compositions were grown on CaF2, MgO, SrTiO3, and Si substrates, thereby separating the dependence of composition on domain orientation. To minimize artifacts associated with composition gradients, and to extend the temperature growth window, PZT films were grown by metal organic chemical vapor deposition (MOCVD). Using this method, epitaxial {001} films achieved c-domain textures above 90% on single crystal MgO and CaF2 substrates. This could be tailored via the thermal stresses established by the differences in thermal expansion coefficients of the film and the substrate. The single-domain e31,ƒ for PZT thin films was determined to exceed -12 C/m2 in the tetragonal phase field for x ≥ 0.19, nearly twice the phenomenologically modeled value. The utilization of c-domain PZT films is motivated by a figure of merit above 0.8 C2/m4 for (001) PZT thin films. Increases to the FoM via doping and hot poling were also quantified; a 1% Mn doping reduced epsilonr by 20% without decreasing the piezoelectric coefficient. Hot poling a device for one hour above 120°C also resulted in a 20% reduction in epsilonr ; furthermore, 1% Mn doping reduced epsilonr by another 12% upon hot poling. Two methods for fabricating thin film mechanical energy harvesting devices were investigated. It was found that phosphoric acid solutions could be used to pattern MgO crystals, but this was typically accompanied by

  1. Magnetic anisotropy and its microstructural origin in epitaxially grown SmCo thin films.

    SciTech Connect

    Benaissa, M.

    1998-04-15

    Microstructural features and magnetic behavior of epitaxially grown SmCo thin films with very high in-plane anisotropy are presented. Transmission electron microscopy was used to characterize the microstructure while magnetic measurements were performed using dc and SQUID magnetometers. Two substrate orientations were studied, i.e., MgO(100)/Cr(100)/SmCo(11{bar 2}0) and MgO(110)/Cr(211)/SmCo(1{bar 1}00). In the former, the SmCo(11{bar 2}0) film shows a bicrystalline microstructure, whereas in the latter, a uniaxial one is observed. Both microstructure consist of grains with a mixture of SmCo{sub 3} , Sm{sub 2}Co{sub 7} and SmCo{sub 3} polytypoids. A deviation from the c-axes was observed in the in-plane anisotropy of the SmCo(11{bar 2}0) thin film. A strong exchange interaction between the grains would, in principle, explain the observed deviation. On the other hand, both SmCo(11{bar 2}0) and (1{bar 1}00) thin films show very high coercivity values with pinning-type characteristics. Possible coercivity mechanisms related to intergranular exchange interactions and local variation in magnetocrystalline anisotropy constants are discussed.

  2. FeO2/MgO(1 0 0) supported cluster: Computational pursual for a low-cost and low-temperature CO nanocatalyst

    NASA Astrophysics Data System (ADS)

    Zamora, A. Y.; Reveles, J. U.; Mejia-Olvera, R.; Baruah, T.; Zope, R. R.

    2014-09-01

    CO oxidation of only 0.23 eV.Regarding the CO catalytic activity of iron oxide species at low-temperatures, it has been experimentally observed that thin oxide films on metals may indeed exhibit greatly enhanced catalytic activity compared to the underlying metal substrate under the same conditions [24]. In addition to the above studies, low temperature CO oxidation over Ag supported ultrathin MgO films was recently reported [17]. In this case, the activation barrier (0.7 eV) resulted lower than the corresponding barrier of CO oxidation on Pt(1 1 1) of 0.9 eV. The gas phase reaction (½O2 + CO → CO2) was calculated to present an overall exothermicity of 3.2 eV. Importantly, this study showed the possibility to generate a catalyst in which the CO adsorption energy of only 0.4 eV is low enough to prevent CO poisoning, therefore enabling a low temperature CO oxidation route, and addressing the cold start problem [25].Despite the above mentioned studies, the development of active and stable catalysts, without noble metals, for low-temperature CO oxidation under an ambient atmosphere remains a significant challenge. Earlier reports, as mentioned above, indicate that the Fe2O3 is the most active iron oxide surface toward CO oxidation at high temperatures (∼300 °C) [8]. Furthermore, a number of theoretical and experimental cluster studies have also shown that selected iron oxide compositions and charge states are the most reactive toward CO oxidation, i.e. FeO2, Fe2O3, FeO2- Fe2O3- FeO+, FeO2+, Fe2O+, Fe2O2+ and Fe2O3+[26,27].The aim of the proposed work is to carry out a detailed investigation that will provide information about the electronic, geometrical, and catalytic properties of the iron oxide FeO2 cluster adsorbed on defect-free MgO(1 0 0) surfaces on the quest for a low-cost and low-temperature CO nano-catalysts. Note that thin oxide films have been found more active at low temperature [24] as compared to the iron oxide surfaces [14]. Our objective is to show

  3. The effect of MgO on the optical properties of lithium sodium borate doped with Cu+ ions

    NASA Astrophysics Data System (ADS)

    Alajerami, Yasser Saleh Mustafa; Hashim, Suhairul; Hassan, Wan Muhamad Saridan Wan; Ramli, Ahmad Termizi; Saleh, Muneer Aziz

    2013-04-01

    The current work presented the photoluminescence (PL) properties of a new glass system, which are reported for the first time. Based on the attractive properties of borate glass, a mixture of boric acid (70-x mol %) modified with lithium (20 mol %) and sodium carbonate (10 mol %) was prepared. The current study illustrated the effect of dopant and co-dopant techniques on the lithium sodium borate (LNB). Firstly, 0.1 mol % of copper ions doped with LNB was excited at 610 nm. The emission spectrum showed two prominent peaks in the violet region (403 and 440 nm). Then, we remarked the effect of adding different concentration of MgO on the optical properties of LNB. The results showed the great effect of magnesium oxide on the PL intensities (enhanced more than two times). Moreover, an obvious shifting has been defined toward the blue region (440 → 475 nm). The up-conversion optical properties were observed in all emission spectra. This enhancement is contributed to the energy transfer from MgO ions to monovalent Cu+ ion. It is well known that magnesium oxide alone generates weak emission intensity, but during this increment the MgO act as an activator (co-doped) for Cu+ ions. Finally, energy band gap, density, ion concentration, molar volume, Polaron radius and inter-nuclear distance all were measured for the current samples. The current samples were subjected to XRD for amorphous confirmation and IR for glass characterization before and after dopants addition. Finally, some of significant physical and optical parameters were also calculated.

  4. FeO2/MgO(1 0 0) supported cluster: Computational pursual for a low-cost and low-temperature CO nanocatalyst

    NASA Astrophysics Data System (ADS)

    Zamora, A. Y.; Reveles, J. U.; Mejia-Olvera, R.; Baruah, T.; Zope, R. R.

    2014-09-01

    CO oxidation of only 0.23 eV.Regarding the CO catalytic activity of iron oxide species at low-temperatures, it has been experimentally observed that thin oxide films on metals may indeed exhibit greatly enhanced catalytic activity compared to the underlying metal substrate under the same conditions [24]. In addition to the above studies, low temperature CO oxidation over Ag supported ultrathin MgO films was recently reported [17]. In this case, the activation barrier (0.7 eV) resulted lower than the corresponding barrier of CO oxidation on Pt(1 1 1) of 0.9 eV. The gas phase reaction (½O2 + CO → CO2) was calculated to present an overall exothermicity of 3.2 eV. Importantly, this study showed the possibility to generate a catalyst in which the CO adsorption energy of only 0.4 eV is low enough to prevent CO poisoning, therefore enabling a low temperature CO oxidation route, and addressing the cold start problem [25].Despite the above mentioned studies, the development of active and stable catalysts, without noble metals, for low-temperature CO oxidation under an ambient atmosphere remains a significant challenge. Earlier reports, as mentioned above, indicate that the Fe2O3 is the most active iron oxide surface toward CO oxidation at high temperatures (∼300 °C) [8]. Furthermore, a number of theoretical and experimental cluster studies have also shown that selected iron oxide compositions and charge states are the most reactive toward CO oxidation, i.e. FeO2, Fe2O3, FeO2- Fe2O3- FeO+, FeO2+, Fe2O+, Fe2O2+ and Fe2O3+[26,27].The aim of the proposed work is to carry out a detailed investigation that will provide information about the electronic, geometrical, and catalytic properties of the iron oxide FeO2 cluster adsorbed on defect-free MgO(1 0 0) surfaces on the quest for a low-cost and low-temperature CO nano-catalysts. Note that thin oxide films have been found more active at low temperature [24] as compared to the iron oxide surfaces [14]. Our objective is to show

  5. Growth of monocrystalline Cu(1 1 1) films on MgO(1 1 1) by pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Aweke, F.; Antoni, F.; Hulik, J.; Morvan, G.; Speisser, C.; Veis, P.; Le Normand, F.

    2015-05-01

    Copper (Cu) films with a minimal thickness of 300 nm were grown on MgO(1 1 1) substrates in high vacuum by pulsed laser deposition (PLD) at various temperatures to achieve a single crystal Cu film with flat terraces without grain boundaries. We investigated the effect of the substrate temperature, the pulse repetition rate, the deposition time and the laser fluence. A temperature threshold is observed above which the growth mode is changed from a uniform flat mode to a three dimensional mode. A combined process involving a germination step at moderate temperature followed by a growth step at higher temperature yields a 450 nm almost continuous film.

  6. Degradation Characteristics of MgO Based Magnetic Tunnel Junction Caused by Surface Roughness of Ta/Ru Buffer Layers.

    PubMed

    Lee, Jung Min; Choi, Chul Min; Sukegawa, Hiroaki; Lee, Jeong Yong; Mitani, Seiji; Song, Yun-Heub

    2016-01-01

    We investigated how surface roughness of a Ta/Ru buffer layer affects the degradation characteristics on MgO-based magnetic tunnel junctions (MTJs). MTJs with worse surface roughness on the buffer layer showed increased resistance drift and degraded time-dependent dielectric breakdown (TDDB) characteristics. We suggest that this resulted from reduced MgO thickness on the MTJ with worse surface roughness on the buffer layer, which was estimated by the TDDB and analytic approach. As a result, surface roughness of the buffer layer is a critical factors that impacts the reliability of MTJs, and it should be controlled to have the smallest roughness value as possible. PMID:27398503

  7. Structure and magneto-optical properties of epitaxial PtMnSb(001) on W(001)/MgO(001)

    SciTech Connect

    Kautzky, M.C.; Clemens, B.M. )

    1995-03-06

    The growth of high-quality, sputter-deposited epitaxial PtMnSb(001) on W(001)/MgO(001) is described. X-ray diffraction results indicate that PtMnSb grows unrotated on the W seed layer with a modest in-plane tensile strain. Polar magneto-optic Kerr effect measurements show a peak rotation of 1.02[degree] at 575 nm. In-plane magnetization is observed, indicating that the level of strain in the film is insufficient to induce perpendicular magnetization.

  8. Microstructure of artificial 45{sup degree} [001] tilt grain boundaries in YBCO films grown on (001) MgO

    SciTech Connect

    Huang, Y.; Vuchic, B.V.; Merkle, K.L.; Buchholz, D.B.; Chang, R.P.H.

    1996-03-01

    High-angle grain boundaries in YBa{sub 2}Cu{sub 3}O{sub 7-x} (YBCO) show weak-link effects and behave as Josephson junctions. This kind of grain boundary junction (GBJs) has potential applications in magnetic field measurement and electronic devices. This work studies the microstructure of artificially made GBJs in YBCO films on (001) MgO and the mechanism of boundary formation, with the goal to improve GBJ quality and obtain a better understanding of the junctions` transport properties.

  9. High field conduction and dielectric breakdown in nominally pure and nickel-doped MgO crystals at high temperatures

    SciTech Connect

    Tsang, K.L.; Chen, Y.; O'Dwyer, J.J.

    1982-12-15

    The phenomenon of dielectric (or more aptly, electrothermal) breakdown of nominally pure and nickle-doped MgO crystals at 1473 K is studied with the use of a field of 1500 V cm/sup -1/. The current transients induced by constant and alternating fields as well as by field reversals, and open- and short-circuit conditions are investigated. Activation energies, obtained from the temperature dependence of current parameters, are also obtained. It is concluded that the mechanism leading to the breakdown involves the buildup of space charge caused by the injection of carriers from the electrodes and drift of ions.

  10. Effects of MgO buffer annealing on optical and electrical quality of P-MBE grown ZnO films on c-sapphire

    NASA Astrophysics Data System (ADS)

    Setiawan, A.; Yao, T.

    2016-04-01

    Zinc oxide (ZnO) has been attracting much attention because of its potential applications in photonic and optoelectronic devices. In this present study, we investigated the effect of MgO buffer annealing on the optical and electrical quality of P-MBE grown ZnO films on c-sapphire with MgO buffer layer. The optical quality was observed by low-temperature PL (photoluminescence) measurement in the near band edge emission region measured at 10K and at 77K. The emission line located at 3.368eV dominates the spectrum in both samples (ZnO with and without MgO buffer annealing) at 10K and 77K. This emission can be divided into two peaks, 3.367eV and 3.363eV and assigned as I2 (ionized donor bound excitons emission) and I4 (Hydrogen donor related emission), respectively. The relative intensity of these donor bound exactions to free exaction emission of the sample without MgO buffer annealing is greater than that of the sample with MgO buffer annealing. Comparison of the PL spectra of ZnO with and without annealing revealed that the intensity of free exciton emission from the sample with MgO buffer annealing is twice of that from the sample without annealing. We also found that the intensity of deep-level broad emission is reduced by about 1/3 by MgO-buffer annealing. Hence, the decrease of deep level emission intensity and the increase of free exciton emission intensity by annealing of MgO buffer corresponds to the reduction of defects of the ZnO film. The PL properties also suggest that there are fewer nonradiative recombination centers in ZnO layers with MgO buffer annealing than those in ZnO layers grown without MgO buffer annealing. The electrical quality was measured by room temperature Hall measurements. We found that the samples have a background n-type carrier concentration. The ZnO samples with MgO buffer annealing has a carrier concentration of 1.17×1017 cm-3 and Hall mobility of 120 cm2/V.s, while the ZnO sample without MgO buffer annealing has a carrier

  11. Single-crystal Ti2AlN thin films

    NASA Astrophysics Data System (ADS)

    Joelsson, T.; Hörling, A.; Birch, J.; Hultman, L.

    2005-03-01

    We have produced pure thin-film single-crystal Ti2AlN(0001), a member of the Mn +1AXn class of materials. The method used was UHV dc reactive magnetron sputtering from a 2Ti:Al compound target in a mixed Ar -N2 discharge onto (111) oriented MgO substrates. X-ray diffraction and transmission electron microscopy were used to establish the hexagonal crystal structure with c and a lattice parameters of 13.6 and 3.07Å, respectively. The hardness H, and elastic modulus E, as determined by nanoindentation measurements, were found to be 16.1±1GPa and 270±20GPa, respectively. A room-temperature resistivity for the films of 39μΩcm was obtained.

  12. High rate buffer layer for IBAD MgO coated conductors

    DOEpatents

    Foltyn, Stephen R.; Jia, Quanxi; Arendt, Paul N.

    2007-08-21

    Articles are provided including a base substrate having a layer of an oriented material thereon, and, a layer of hafnium oxide upon the layer of an oriented material. The layer of hafnium oxide can further include a secondary oxide such as cerium oxide, yttrium oxide, lanthanum oxide, scandium oxide, calcium oxide and magnesium oxide. Such articles can further include thin films of high temperature superconductive oxides such as YBCO upon the layer of hafnium oxide or layer of hafnium oxide and secondary oxide.

  13. Thermal Treatment of Al2O3, MgO, and CeO2 Granulated Powders by Induction Thermal Plasma: A Numerical Approach

    NASA Astrophysics Data System (ADS)

    Hossain, M. Mofazzal; Alam, M. Rafiqul; Watanabe, Takayuki

    2013-01-01

    A plasma--particle interactive flow model has been developed for the investigation of plasma temperature, velocity, particle temperature, diameter, and flight path during in-fight thermal treatment of granulated powders --- Al2O3, MgO, and CeO2 in induction thermal plasma, taking into account of plasma particle interaction and particle loading effects. In this model, the conservative equations are solved to investigate the influence of feed-rate and particle diameter on the melting behavior of granulated powders and to predict particle trajectories, temperature histories etc. In this paper attention is given to the effects of carrier gas flow-rate, powder feed-rate and secondary gas (oxygen) flow-rate on the particles' final diameter and trajectory for Al2O3, MgO, and CeO2 powders. Results show that the particles diameter after thermal treatment is strongly dependent on the powder feed-rate, oxygen gas flow-rate and carrier gas flow-rate. Among the three types of powders, particle diameter decrement is significant in case of MgO and less significant in case of Al2O3; and the effect of oxygen flow-rate on the particle diameter decrement is significant in case of MgO. Particles trajectories are wider for smaller particles than that of larger particles. Particle temperature is lowest for MgO and highest for Al2O3 particles.

  14. Thermal Treatment of Al2O3, MgO, and CeO2 Granulated Powders by Induction Thermal Plasma: A Numerical Approach

    NASA Astrophysics Data System (ADS)

    Mofazzal Hossain, M.; Rafiqul Alam, M.; Watanabe, Takayuki

    2013-01-01

    A plasma-particle interactive flow model has been developed for the investigation of plasma temperature, velocity, particle temperature, diameter, and flight path during in-fight thermal treatment of granulated powders - Al2O3, MgO, and CeO2 in induction thermal plasma, taking into account of plasma particle interaction and particle loading effects. In this model, the conservative equations are solved to investigate the influence of feed-rate and particle diameter on the melting behavior of granulated powders and to predict particle trajectories, temperature histories etc. In this paper attention is given to the effects of carrier gas flow-rate, powder feed-rate and secondary gas (oxygen) flow-rate on the particles' final diameter and trajectory for Al2O3, MgO, and CeO2 powders. Results show that the particles diameter after thermal treatment is strongly dependent on the powder feed-rate, oxygen gas flow-rate and carrier gas flow-rate. Among the three types of powders, particle diameter decrement is significant in case of MgO and less significant in case of Al2O3; and the effect of oxygen flow-rate on the particle diameter decrement is significant in case of MgO. Particles trajectories are wider for smaller particles than that of larger particles. Particle temperature is lowest for MgO and highest for Al2O3 particles.

  15. Preparation and Characterization of Ba(ZrxTi1-x)O3 Thin Films Using Reactive Sputtering Method

    NASA Astrophysics Data System (ADS)

    Kim, Jin Woong; Osumi, Tsuyoshi; Mastuoka, Masashi; Tai, Takeshi; Nishide, Masamichi; Funakubo, Hiroshi; Shima, Hiromi; Nishida, Ken; Yamamoto, Takashi

    2012-09-01

    Ba(ZrxTi1-x)O3 (BZT) thin films with different Zr contents were deposited on (100) MgO and (100) Pt/(100) MgO substrates by RF-magnetron reactive sputtering using metal targets. The BZT (0 < x < 0.89) thin films had a single perovskite phase with only (001)/(100) orientation. In all cases, the ratio of Ba/Ti was stoichiometric according to X-ray fluorescence spectrometry (WDX) measurement. Atomic force microscopy (AFM) study proved that BZT films possess a dense microstructure without cracks or voids. The grain size was found to decrease with increasing of Zr content. The effect of Zr content on the dielectric constant and leakage current was studied. BZT thin films showed ferroelectric-to-paraelectric properties with increasing Zr content and excellent leakage properties according to measurements of electrical properties. These results indicated that we succeeded in depositing high-quality and low-sputter-damage BZT thin films by reactive sputtering using metal targets.

  16. Coherent tunnelling conductance in magnetic tunnel junctions of half-metallic full Heusler alloys with MgO barriers.

    PubMed

    Miura, Yoshio; Uchida, Hirohisa; Oba, Yoshihiro; Nagao, Kazutaka; Shirai, Masafumi

    2007-09-12

    We have carried out electronic structure and transport calculations for magnetic tunnel junctions (MTJ) composed of MgO and a half-metallic full Heusler alloy Co(2)MnSi on the basis of the density functional theory and the Landauer formula. We find that the density of states of Co atoms at the Co(2)MnSi/MgO(001) interface shifts toward the higher energy side due to the reduced symmetry, leading to a reduction of the spin polarization at the interface. Furthermore, we show that the majority-spin transmittance as a function of the in-plane wavevector [Formula: see text] has a broad peak centred at [Formula: see text] due to the tunnelling from the Δ(1) channel of Co(2)MnSi, while the transmittance from the Δ(5) channel is three orders of magnitude smaller than that of the Δ(1) channel. These results indicate that coherent tunnelling through the Δ(1) band is dominant also in an MTJ with Co(2)MnSi and an MgO barrier, like in Fe/MgO/Fe(001) MTJ and related systems.

  17. Magnesite formation from MgO and CO2 at the pressures and temperatures of Earth's mantle

    SciTech Connect

    Scott, Henry P.; Doczy, Vincent M.; Frank, Mark R.; Hasan, Maggie; Lin, Jung-Fu; Yang, Jing

    2013-08-02

    Magnesite (MgCO3) is an important phase for the carbon cycle in and out of the Earth’s mantle. Its comparably large P-T stability has been inferred for several years based on the absence of its decomposition in experiments. Here we report the first experimental evidence for synthesis of magnesite out of its oxide components (MgO and CO2) at P-T conditions relevant to the Earth’s mantle. Magnesite formation was observed in situ using synchrotron X-ray diffraction, coupled with laser-heated diamond-anvil cells (DACs), at pressures and temperatures of Earth’s mantle. Despite the existence of multiple high-pressure CO2 polymorphs, the magnesite-forming reaction was observed to proceed at pressures ranging from 5 to 40 GPa and temperatures between 1400 and 1800 K. No other pressure-quenchable materials were observed to form via the MgO + CO2 = MgCO3 reaction. This work further strengthens the notion that magnesite may indeed be the primary host phase for oxidized carbon in the deep Earth.

  18. Anisotropic Deviations from Fourier's Law in Si and MgO and the Importance of Temperature-Profile Extrema

    NASA Astrophysics Data System (ADS)

    Wilson, Richard; Cahill, David

    2014-03-01

    Efforts to engineer thermal conductivity values by alloying, doping, or nanostructuring rely on a fundamental understanding of phonon-phonon and phonon-defect scattering. However, experimentally resolving phonon dynamics remains challenging. Recent studies demonstrate that time-domain thermoreflectance and frequency-domain thermoreflectance are sensitive to the mean-free-paths of heat-carrying phonons. The sensitivity of both techniques relies on the failure of Fourier theory when important length-scales of the temperature-profile become shorter than phonon mean-free-paths. However the correct interpretation of these experiments remains unclear. To address this issue, we characterize the relationship between the failure of Fourier's law, phonon mean-free-paths, important length-scales of the temperature-profile, and interfacial phonon scattering by performing extensive time-domain thermoreflectance experiments on Si, Si0.99Ge0.01, boron doped Si, and MgO crystals between 40 and 300 K. We find the failure of Fourier's law causes anisotropic thermal transport in Si and MgO despite cubic symmetry, and that in situations where Fourier's law fails, interfacial phonon scattering can affect the heat-current away from the interface.

  19. Banyan latex: a facile fuel for the multifunctional properties of MgO nanoparticles prepared via auto ignited combustion route

    NASA Astrophysics Data System (ADS)

    Kumar, M. R. Anil; Nagaswarupa, H. P.; Anantharaju, K. S.; Gurushantha, K.; Pratapkumar, C.; Prashantha, S. C.; Shashishekar, T. R.; Nagabhushana, H.; Sharma, S. C.; Vidya, Y. S.; Daruka Prasad, B.; Vivek Babu, C. S.; Vishnu Mahesh, K. R.

    2015-09-01

    MgO nanoparticles (MNPs) were prepared by a solution combustion route using banyan tree (BT) latex and glycine as fuels. The powder x-ray diffraction results indicate the formation of a single cubic phase and the crystallite size obtained from transmission electron microscopy was found to be ˜10-15 nm. Scanning electron microscopy result reveals spherical-shaped particles obtained with BT latex. However, in a chemical route, porous and agglomerated particles were obtained. The energy band gap of MNPs obtained using BT latex and a chemical route were found to be in the range 4.85-5.0 eV. Photoluminescence peaks observed at 473, 514, and 588 nm when excited at 433 nm, which were attributed to surface defects. The enhanced photocatalytic activities of spherical MgO were due to smaller crystallite size, higher surface defects, dye sensitization, and capability to reduce the electron-hole pair recombination. Further, green-synthesized MNPs exhibit superior antifungal activity against various plant pathogens. The present studies demonstrated a green engineering route for the synthesis of multifunctional MNPs using BT latex.

  20. Influence of the MgO barrier thickness on the lifetime characteristics of magnetic tunnelling junctions for sensors

    NASA Astrophysics Data System (ADS)

    Conca, A.; Casper, F.; Paul, J.; Lehndorff, R.; Jakob, G.; Kläui, M.; Hillebrands, B.; Leven, B.

    2016-06-01

    Magnetic tunnelling junctions increasingly enter the market for magnetic sensor applications. Thus, technological parameters such as the lifetime characteristics become more and more important. Here, an analysis of the lifetime characteristics of magnetic tunnelling junctions using the Weibull statistical distribution for CoFeB/MgO/CoFeB junctions is presented. The Weibull distribution is governed by two parameters, the characteristic lifetime η of the population and the shape parameter β, which gives information about the presence of an infant mortality. The suitability of the Weibull distribution is demonstrated for the description of dielectric breakdown processes in MgO-based tunnelling junctions at different voltages. A study of the dependence of the characteristic lifetime extrapolated to the low voltage regime, and the β parameter on the nominal barrier thickness and the resistance  ×  area product of the MgO barrier is shown. The influence of the RF deposition power for the MgO barrier and an annealing step on the Weibull parameters is also discussed.

  1. Optimization of YbBa2Cu3Oy Thick Film Formation on MgO Substrates

    NASA Astrophysics Data System (ADS)

    Kawata, S.; Muralidhar, M.; Jirsa, M.; Inoue, K.; Murakami, M.

    We optimized the formation process of the YbBa2Cu3Oy superconducting thick film prepared from the mixture of Yb2BaO4, BaCuO2, and CuO. Thick films of this composite were sintered at various temperatures between 800 ̊C and 1025 ̊C and held for 10 minutes in air, then rapidly quenched in liquid nitrogen. The samples were characterized by XRD, SEM, and magnetization measurements. The XRD analysis indicated that the Yb-123 phase started to form above 800 ̊C, with optimum at 825 ̊C. At even higher temperatures (900 ̊C and 975 ̊C) the secondary phase and liquid phase predominantly formed. Based on these results, we fabricated good quality YbBa2Cu3Oy thick films on an MgO substrate utilizing a double step heating process. According to XRD measurements the Yb-123 films were c-axis oriented, with Tc (onset) 87 K, and high critical current density around 24 kA/cm2 at 77 K, H//c-axis. The Yb-123 superconducting thick films on the MgO substrates are considered as the first step to the production of silver sheathed tapes, an advanced analogue to the Bi-2223 system.

  2. Swelling under irradiation of MgO pellets containing americium oxide: The ECRIX-H irradiation experiment

    NASA Astrophysics Data System (ADS)

    Lamontagne, J.; Béjaoui, S.; Hanifi, K.; Valot, Ch.; Loubet, L.

    2011-06-01

    The ECRIX-H irradiation experiment studied the behaviour of pellets containing americium dispersed in MgO. The purpose of the irradiation was to demonstrate the capacity of magnesia to provide an efficient support matrix. After fabrication, the sintered pellets contained 16.65 wt.% of Am microdispersed in the inert matrix. The ECRIX-H pellets were irradiated under a locally moderated neutron flux in the Phénix sodium-cooled fast reactor (SFR) for 318 Effective Full Power Days (EFPD). Post-test calculations indicated that the fission and transmutation rates of americium at the maximum flux plane reached 33.9% and 92.6% respectively at the end of the irradiation phase. The results of the post-irradiation examinations - both non-destructive and destructive - are discussed in this paper. These results indicate a satisfactory behaviour of the MgO matrix. Particularly, a moderate swelling occurs in the pellets under irradiation even with significant quantities of helium generated and at high transmutation rate.

  3. Thermodynamic Analysis of V-concentrating Phase Formation in V-bearing Steelmaking Slag Modified by MgO

    NASA Astrophysics Data System (ADS)

    Wu, Liushun; Gao, Wei; Xie, Dawei; Li, Liaosha; Dong, Yuanchi

    2015-10-01

    In the study, magnesium oxide acting as modifier was added to V-bearing steelmaking slag to concentrate vanadium, and then the effect of magnesium oxide on the formation of V-concentrating phase during cooling was investigated. Experimental results show that, in the case of the original slag, di-calcium silicate along with most of vanadate and phosphate in the slag forms solid solution, calcium ferrite which contains small part of vanadium in the slag and matrix without vanadium in turn precipitate during slowly cooling; For the sample with 8% MgO addition, two new phases (merwinite and V-concentrating phase) generate during slowly cooling, and the amount of di-calcium silicate decreases. Merwinite phase doesn't contain vanadium, and V-concentrating phase (Ca3(V,P)2O8·nCa2SiO4) contains 17-19% V2O5 by mass; For the sample with 16% MgO addition, another new phase (monticellite) precipitates from liquid slag, the phase of di-calcium silicate disappears, and most of vanadium concentrates in V-concentrating phase-Ca3(V,P)2O8·nCa2SiO4 (18-21%V2O5).

  4. X-ray magnetic circular dichroism study of epitaxial magnetite ultrathin film on MgO(100)

    SciTech Connect

    Liu, W. Q.; Xu, Y. B. E-mail: rzhang@nju.edu.cn; Song, M. Y.; Lin, J. G.; Maltby, N. J.; Li, S. P.; Samant, M. G.; Parkin, S. S. P.; Bencok, P.; Steadman, Paul; Dobrynin, Alexey; Zhang, R. E-mail: rzhang@nju.edu.cn

    2015-05-07

    The spin and orbital magnetic moments of the Fe{sub 3}O{sub 4} epitaxial ultrathin film synthesized by plasma assisted simultaneous oxidization on MgO(100) have been studied with X-ray magnetic circular dichroism. The ultrathin film retains a rather large total magnetic moment, i.e., (2.73 ± 0.15) μ{sub B}/f.u., which is ∼70% of that for the bulk-like Fe{sub 3}O{sub 4}. A significant unquenched orbital moment up to 0.54 ± 0.05 μ{sub B}/f.u. was observed, which could come from the symmetry breaking at the Fe{sub 3}O{sub 4}/MgO interface. Such sizable orbital moment will add capacities to the Fe{sub 3}O{sub 4}-based spintronics devices in the magnetization reversal by the electric field.

  5. Microstructural Characteristics of Y2O3-MgO Composite Coatings Deposited by Suspension Plasma Spray

    NASA Astrophysics Data System (ADS)

    Muoto, Chigozie K.; Jordan, Eric H.; Gell, Maurice; Aindow, Mark

    2012-12-01

    Dense composite Y2O3-MgO coatings have been deposited by suspension plasma spray. Ethanol-based suspensions of powders synthesized by thermal decomposition of precursor solutions containing yttrium nitrate (Y[n]) and magnesium nitrate (Mg[n]) or magnesium acetate (Mg[a]) were selected as the feedstock; this gave powders with both phases in each particle, to inhibit phase segregation during solvent evaporation. The influence of powder characteristics on the microstructures of the coatings was investigated. The Y[n]Mg[a] suspension was more stable, with a better dispersion of the component phases than the Y[n]Mg[n] suspension. The coatings deposited using each suspension type exhibited lamellar structures comprising Y2O3 and MgO phases in wavy alternating streaks, with unmelted/semi-melted particles entrapped in the lamellae; this indicates that phase segregation still occurred in the molten state. Eutectic structures were formed in the coating generated using the Y[n]Mg[a] suspension, resulting from improved mixing of the component phases in the suspension powder.

  6. The effect of CaF2 on thermodynamics of CaO-CaF2-SiO2(-MgO) slags

    NASA Astrophysics Data System (ADS)

    Choi, Chul-Hwan; Jo, Sung-Koo; Kim, Seon-Hyo; Lee, Kwang-Ro; Kim, Jeong-Tae

    2004-02-01

    To address the role of CaF2 in the CaO-CaF2-SiO2(-MgO) slag system employed for the production of low-pressure rotor steels, the thermodynamic aspects of the slag were investigated by equilibrating it with liquid iron at 1873 K in CaO or MgO crucibles. Presaturation of slag with an oxide block piece of CaO or MgO in a Pt crucible and application of a carbon paste to the outside of an oxide crucible were designed to prevent crucible failure during the slag-metal experiments. The liquidus isotherm and phase boundary of the preceding slag system were investigated using the slag-metal equilibria. Also, the effect of CaF2 on the sulfide capacity and the activity coefficient of Fe t O were of particular interest in controlling the sulfur level and cleanliness of low-pressure rotor steels.

  7. Controllable-permittivity and high-tunability of Ba0.5Sr0.5TiO3/MgO based ceramics by composite configuration

    NASA Astrophysics Data System (ADS)

    Tang, Linjiang; Wang, Jinwen; Zhai, Jiwei; Bing Kong, Ling; Yao, Xi

    2013-04-01

    Ba0.5Sr0.5TiO3 (BST50)/MgO composites, with 2-2-type configurations, consisting of BST layers and MgO layers, were fabricated by using tape-casting and laminating technique. Microstructure, dielectric response, and tunable properties of the 2-2-type composites were investigated. An important feature of the 2-2 type composites is that DC fields can be effectively applied to the high-permittivity ferroelectric phase when the fields are applied in parallel direction to the inter-phase boundaries. As a result, with increasing volume fraction (q) of MgO, tunability of the composites remained almost unchanged, whereas their permittivity value could be reduced significantly. This behavior has not been observed in the conventional 3-0 type composites.

  8. Electric field control of spin re-orientation in perpendicular magnetic tunnel junctions—CoFeB and MgO thickness dependence

    NASA Astrophysics Data System (ADS)

    Meng, Hao; Naik, Vinayak Bharat; Liu, Ruisheng; Han, Guchang

    2014-07-01

    We report an investigation of electric-field (EF) control of spin re-orientation as functions of the thicknesses of CoFeB free layer (FL) and MgO layer in synthetic-antiferromagnetic pinned magnetic tunnel junctions with perpendicular magnetic anisotropy. It is found that the EF modulates the coercivity (Hc) of the FL almost linearly for all FL thicknesses, while the EF efficiency, i.e., the slope of the linearity, increases as the FL thickness increases. This linear variation in Hc is also observed for larger MgO thicknesses (≥1.5 nm), while the EF efficiency increases only slightly from 370 to 410 Oe nm/V when MgO thickness increases from 1.5 to 1.76 nm. We have further observed the absence of quasi-DC unipolar switching. We discuss its origin and highlight the underlying challenges to implement the EF controlled switching in a practical magnetic memory.

  9. Graphitic encapsulation of MgO and Fe{sub 3}C nanoparticles in the reaction of iron pentacarbonyl with magnesium

    SciTech Connect

    Dyjak, Sławomir; Cudziło, Stanisław; Polański, Marek; Budner, Bogusław; Bystrzycki, Jerzy

    2013-07-15

    A simple method to produce highly ordered carbon nanostructures by combustion synthesis is presented. Graphite-encapsulated magnesium oxide, iron carbide nanoparticles and carbon nanobelts were synthesized by the one-step reduction of iron pentacarbonyl with magnesium. High-resolution transmission electron microscopy analysis of the products revealed nanocrystalline MgO and Fe{sub 3}C particles surrounded by a well-crystallized, tight graphite film. The possible formation mechanism is presented and discussed. - Highlights: • We present a simple method to produce highly ordered carbon nanostructures by combustion synthesis. • The cubic MgO particles are completely coated by tight graphitic shells. • The mechanism of formation a distant carbon film on MgO surface has been discussed. • The presented method can be applied to synthesis of other core-shell structures.

  10. Efficient one-pot synthesis of pyrido[2,3-d]pyrimidines catalyzed by nanocrystalline MgO in water

    NASA Astrophysics Data System (ADS)

    Rad, Amaneh Mossafaii; Mokhtary, Masoud

    2015-04-01

    The direct three-component condensation of 6-aminouracil, 6-amino-2-thiouracil or 6-amino-1,3-dimethyluracil, with arylaldehydes and malononitrile to generate a series of pyrido[2,3-d]pyrimidine derivatives has been carried out over nanocrystalline MgO with high efficiency in water as a green solvent at 80 °C. The morphology and structure of the nanocrystalline MgO were characterized by scanning electron microscopy, transmission electron microscopy and X-ray diffraction. The results confirmed the nanocrystalline MgO particle size is approximately 50 nm. This methodology offers significant improvements for the synthesis of pyrido[2,3-d]pyrimidine derivatives with regard to the yield of products, simplicity in operation, and green aspects by avoiding toxic catalysts and solvents.

  11. Ab initio atomistic thermodynamics calculations of the initial deposition of epitaxial MgO film on GaAs(001)-{beta}2(2 Multiplication-Sign 4)

    SciTech Connect

    Tamarany, Rizcky; Lee, Seung-Cheol; Kim, Hyung-Jun; Choi, Jung-Hae

    2013-02-07

    Ab initio calculations were performed to investigate the initial deposition of epitaxial MgO on GaAs(001)-{beta}2(2 Multiplication-Sign 4). The differences between the chemical bonding of Mg-As and O-As were characterized by the adsorption energies of atomic O and Mg at several symmetrically distinct sites, and O bonding was substantially stronger than that of Mg. Thermodynamics were analyzed through the introduction of environmental chemical potentials simulating in situ growth conditions by the sputtering of a stoichiometric MgO target. A surface phase diagram was generated under Mg and O environments with constrained equilibrium, and the results explained the initial formation of an epitaxial MgO phase on GaAs(001)-{beta}2(2 Multiplication-Sign 4).

  12. Effects of interactions between NiM (M = Mn, Fe, Co and Cu) bimetals with MgO (1 0 0) on the adsorption of CO2

    NASA Astrophysics Data System (ADS)

    Wang, Baojun; Yan, Ruixia; Liu, Hongyan

    2012-09-01

    A density-functional theory method has been conducted to investigate the interactions of NiM (M = Mn, Fe, Co and Cu) with MgO (1 0 0) as well as the effects of interactions on the adsorption of CO2. The binding energies of NiM on MgO and the adsorption energies of CO2 on NiM/MgO have been calculated, and the results show that the defective NiM/MgO catalysts exhibit stronger metal-support interaction (MSI) than the perfect NiM/MgO catalysts do, leading to weaker adsorption ability to CO2, except NiMn/MgO system. However, for the catalysts with the same MgO surface and different bimetals, the stronger the MSI is, the stronger adsorption ability of the substrate to CO2 is, except NiCu/MgO system.

  13. Thin Film Substrates from the Raman spectroscopy point of view

    NASA Astrophysics Data System (ADS)

    Gasparov, Lev; Jegorel, Theo; Loetgering, Lars; Middey, Srimanta; Chakhalian, Jak

    2014-03-01

    We have investigated ten standard single crystal substrates of complex oxides on the account of their applicability in the Raman spectroscopy based thin film research. In this study we suggest a spectra normalization procedure that utilises a comparison of the substrate's Raman spectra to those of well-established Raman reference materials. We demonstrate that MgO, LaGaO3, (LaAlO3)0.3(Sr2AlTaO6)0.7 (LSAT), DyScO3, YAlO3, and LaAlO3 can be of potential use for a Raman based thin film research. At the same time TiO2 (rutile), NdGaO3, SrLaAlO4, and SrTiO3 single crystals exhibit multiple phonon modes accompanied by strong Raman background that substantially hinder the Raman based thin film experiments. L.G. acknowledges the support from the National Science Foundation (NSF) Grants DMR-0805073, DMR-0958349, Office of Naval Research award N00014-06-1-0133 and the UNF Terry Presidential Professorship. J. C. was supported by DOD-ARO under Grant No. 0402-172.

  14. Optical and thermodynamic properties of MgO from radiative shock temperature and sound speed measurements on samples preheated to 2300 K

    NASA Astrophysics Data System (ADS)

    Fatýanov, O. V.; Asimow, P. D.

    2013-12-01

    Thermodynamic properties of MgO, one of the major end-members of deep planetary interiors, play a significant role in the processes inside the Earth's lower mantle. Of particular importance in geophysics and geochemistry is the MgO melting behavior at high pressure. Despite considerable theoretical and experimental efforts over decades, it remains essentially unknown. The melting temperature predictions for MgO at 135 GPa, the Earth's core-mantle boundary pressure, range from 5 to 9 kK. In a continuous effort to resolve this inconsistency and to probe the P-T region previously unexplored, we developed a technique for radiative shock temperature measurements in single-crystal MgO preheated to 2300 K. Large ventilated Mo capsules were employed to hold ~20 mm long MgO crystals with controlled longitudinal thermal gradients. These hot targets were impacted by 0.8 mm thick Ta flyers launched at 6.5 to 7.5 km/s on the Caltech two-stage light-gas gun. Six spectral radiance histories from MgO shock front were recorded in every shot with 3 ns time resolution over 440-750 nm or 500-830 nm spectral range. The majority of our experiments showed smooth pressure dependence of MgO shock temperature and sound speed consistent with the solid phase at 197-243 GPa. Although most observed temperatures are ~700 K lower and sound speeds ~1 km/s higher than the model predictions, the pressure slopes for both parameters are in close agreement with those calculated for the solid phase. Unconfirmed data from a single experiment at 239 GPa and 8.3 kK showed correlated temperature and sound speed anomalies (both values lower than expected) that may be explained by partial melting. Our past and recent data on shock-compressed preheated MgO suggest its melting curve above 200 GPa is higher than the extrapolation of the experiments of Zerr & Boehler or the theoretical calculation by Strachan et. al. These results, features of shock experiments with 2300 K pre-heat temperatures, data analysis

  15. Reactions of alkoxysilanes on metal oxide surfaces: decomposition of tetraethoxysilane on MgO(100) and Al 2O 3(0001)

    NASA Astrophysics Data System (ADS)

    Danner, J. B.; Vohs, J. M.

    1993-12-01

    The thermal decomposition of tetraethoxysilane (TEOS) on MgO(100) and Al 2O 3(0001) surfaces was investigated using temperature-programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), and high-resolution electron energy-loss spectroscopy (HREELS). TEOS was found to dissociate on both MgO(100) and Al 2O 3(0001) to form ethoxysilane species, Si(OCH 2CH 3) n, n=2, 3. The ethoxysilanes are stable to a temperature of 600 K at which point they decompose, liberating ethanol, ethylene and ethyl radicals and depositing SiO 2.

  16. Purification of Carbon Nanotubes Synthesized by Catalytic Decomposition of Methane using Bimetallic Fe-Co Catalysts Supported on MgO

    NASA Astrophysics Data System (ADS)

    Guan, Beh Hoe; Ramli, Irmawati; Yahya, Noorhana; Kean Pah, Lim

    2011-02-01

    This work reports the synthesis of carbon nanotubes by catalytic decomposition of methane using bimetallic Fe-Co catalysts supported on MgO. Transmission electron microscopy (TEM) results show the as-prepared carbon nanotubes are multi-walled carbon nanotubes (MWCNTs) with diameter in the range of 15nm to 45nm. Purification of as-prepared MWCNTs was carried out by acid and heat treatment method. EDX results show the Fe, Co and MgO catalysts were successfully removed by refluxing the as-prepared MWCNTs in 3M H2SO4.

  17. Bulk and near-surface magnetic properties of FeRh thin films

    SciTech Connect

    Ding, Y.; Arena, D. A.; Dvorak, J.; Ali, M.; Kinane, C. J.; Marrows, C. H.; Hickey, B. J.; Lewis, L. H.

    2008-04-01

    Epitaxial Fe{sub 48}Rh{sub 52} thin films of nominal thickness 500 A were grown on MgO (001) substrates via molecular beam epitaxy and capped with 20 A of either Au or MgO. The presence of the anticipated magnetostructural phase transition from antiferromagnetism to ferromagnetism at {approx}350 K was confirmed by superconducting quantum interference device and magneto-optic Kerr effect magnetometry. X-ray magnetic circular dichroism (XMCD) experiments were carried out at the L{sub 2,3} edges; measurements were done in both total electron yield (TEY) mode and indirect transmission mode. At room temperature, the indirect transmission XMCD data show no detectable dichroism, consistent with bulk antiferromagnetic behavior. However, room-temperature TEY data originating from the films' surface reveal an appreciable dichroic signal indicating the presence of ferromagnetism. This near-surface/interfacial magnetism may be modified by choice of capping layer; the MgO-capped sample exhibited a considerably smaller ferromagnetic XMCD signal. The results have potential impact on the application of FeRh thin films as temperature-variable pinning layers in exchanged-biased systems.

  18. Net sputtering rate due to hot ions in a Ne-Xe discharge gas bombarding an MgO layer

    SciTech Connect

    Ho, S.; Tamakoshi, T.; Ikeda, M.; Mikami, Y.; Suzuki, K.

    2011-04-15

    An analytical method is developed for determining net sputtering rate for an MgO layer under hot ions with low energy (<100 eV) in a neon-xenon discharge gas at near-atmospheric pressure. The primary sputtering rate is analyzed according to spatial and energy distributions of the hot ions with average energy, E{sup h}{sub i}, above a threshold energy of sputtering, E{sub th,i}, multiplied by a yield coefficient. The threshold energy of sputtering is determined from dissociation energy required to remove an atom from MgO surface multiplied by an energy-transfer coefficient. The re-deposition rate of the sputtered atoms is calculated by a diffusion simulation using a hybridized probabilistic and analytical method. These calculation methods are combined to analyze the net sputtering rate. Maximum net sputtering rate due to the hot neon ions increases above the partial pressure of 4% xenon as E{sup h}{sub Ne} becomes higher and decreases near the partial pressure of 20% xenon as ion flux of neon decreases. The dependence due to the hot neon ions on partial pressure and applied voltage agrees well with experimental results, but the dependence due to the hot xenon ions deviates considerably. This result shows that the net sputtering rate is dominated by the hot neon ions. Maximum E{sup h}{sub Ne} (E{sup h}{sub Ne,max} = 5.3 - 10.3 eV) is lower than E{sub th,Ne} (19.5 eV) for the MgO layer; therefore, weak sputtering due to the hot neon ions takes place. One hot neon ion sputters each magnesium and each oxygen atom on the surface and distorts around a vacancy. The ratio of the maximum net sputtering rate is approximately determined by number of the ions at E{sup h}{sub i,max} multiplied by an exponential factor of -E{sub th,i}/E{sup h}{sub i,max}.

  19. Pyrolyzed thin film carbon

    NASA Technical Reports Server (NTRS)

    Tai, Yu-Chong (Inventor); Liger, Matthieu (Inventor); Harder, Theodore (Inventor); Konishi, Satoshi (Inventor); Miserendino, Scott (Inventor)

    2010-01-01

    A method of making carbon thin films comprises depositing a catalyst on a substrate, depositing a hydrocarbon in contact with the catalyst and pyrolyzing the hydrocarbon. A method of controlling a carbon thin film density comprises etching a cavity into a substrate, depositing a hydrocarbon into the cavity, and pyrolyzing the hydrocarbon while in the cavity to form a carbon thin film. Controlling a carbon thin film density is achieved by changing the volume of the cavity. Methods of making carbon containing patterned structures are also provided. Carbon thin films and carbon containing patterned structures can be used in NEMS, MEMS, liquid chromatography, and sensor devices.

  20. Nanostructure and strain effects in active thin films for novel electronic device applications

    NASA Astrophysics Data System (ADS)

    Yuan, Zheng

    2007-12-01

    There are many potential applications of ferroelectric thin films that take advantage of their unique dielectric and piezoelectric properties, such as tunable microwave devices and thin-film active sensors for structural health monitoring (SHM). However, many technical issues still restrict practical applications of ferroelectric thin films, including high insertion loss, limited figure of merit, soft mode effect, large temperature coefficients, and others. The main theme of this thesis is the advanced technique developments, and the new ferroelectric thin films syntheses and investigations for novel device applications. A novel method of additional doping has been adopted to (Ba,Sr)TiO 3 (BSTO) thin films on MgO. By introducing 2% Mn into the stoichiometric BSTO, Mn:BSTO thin films have shown a greatly enhanced dielectric tunability and a reduced insertion loss at high frequencies (10-30 GHz). A new record of a large tunability of 80% with a high dielectric constant of 3800 and an extra low dielectric loss of 0.001 at 1 MHz at room-temperature was achieved. Meanwhile, the new highly epitaxial ferroelectric (Pb,Sr)TiO3 (PSTO) thin films have been synthesized on (001) MgO substrates. PSTO films demonstrated excellent high frequency dielectric properties with high dielectric constants above 1420 and large dielectric tunabilities above 34% at room-temperature up to 20 GHz. In addition, a smaller temperature coefficient from 80 K to 300 K was observed in PSTO films compared to BSTO films. These results indicate that the Mn:BSTO and PSTO films are both good candidates for developing room-temperature tunable microwave devices. Furthermore, crystalline ferroelectric BaTiO3 (BTO) thin films have been deposited directly on metal substrate Ni through a unique in-situ substrate pre-oxidation treatment. The highly oriented nanopillar structural BTO films were grown on the buffered layers created by the pre-oxidation treatment. No interdiffusion or reaction was observed at the

  1. Nanowires of Fe/multi-walled carbon nanotubes and nanometric thin films of Fe/MgO

    SciTech Connect

    Newman, Alexander; Khatiwada, Suman; Neupane, Suman; Seifu, Dereje

    2015-04-14

    We observed that nanowires of Fe grown in the lumens of multi-walled carbon nanotubes required four times higher magnetic field strength to reach saturation compared to planar nanometric thin films of Fe on MgO(100). Nanowires of Fe and nanometric thin films of Fe both exhibited two fold magnetic symmetries. Structural and magnetic properties of 1-dimensional nanowires and 2-dimensional nanometric films were studied by several magnetometery techniques. The θ-2θ x-ray diffraction measurements showed that a (200) peak of Fe appeared on thin film samples deposited at higher substrate temperatures. In these samples prepared at higher temperatures, lower coercive field and highly pronounced two-fold magnetic symmetry were observed. Our results show that maximum magnetocrystalline anisotropy occurred for sample deposited at 100 °C and it decreased at higher deposition temperatures.

  2. Nanowires of Fe/multi-walled carbon nanotubes and nanometric thin films of Fe/MgO

    NASA Astrophysics Data System (ADS)

    Newman, Alexander; Khatiwada, Suman; Neupane, Suman; Seifu, Dereje

    2015-04-01

    We observed that nanowires of Fe grown in the lumens of multi-walled carbon nanotubes required four times higher magnetic field strength to reach saturation compared to planar nanometric thin films of Fe on MgO(100). Nanowires of Fe and nanometric thin films of Fe both exhibited two fold magnetic symmetries. Structural and magnetic properties of 1-dimensional nanowires and 2-dimensional nanometric films were studied by several magnetometery techniques. The θ-2θ x-ray diffraction measurements showed that a (200) peak of Fe appeared on thin film samples deposited at higher substrate temperatures. In these samples prepared at higher temperatures, lower coercive field and highly pronounced two-fold magnetic symmetry were observed. Our results show that maximum magnetocrystalline anisotropy occurred for sample deposited at 100 °C and it decreased at higher deposition temperatures.

  3. Metallic transport and large anomalous Hall effect at room temperature in ferrimagnetic Mn{sub 4}N epitaxial thin film

    SciTech Connect

    Shen, Xi; Shigematsu, Kei; Chikamatsu, Akira Fukumura, Tomoteru; Hirose, Yasushi; Hasegawa, Tetsuya

    2014-08-18

    We report the electrical transport properties of ferrimagnetic Mn{sub 4}N (001) epitaxial thin films grown by pulsed laser deposition on MgO (001) substrates. The Mn{sub 4}N thin films were tetragonally distorted with a ratio of out-of-plane to in-plane lattice constants of 0.987 and showed perpendicular magnetic anisotropy with an effective magnetic anisotropy constant of 0.16 MJ/m{sup 3}, which is comparable with that of a recently reported molecular-beam-epitaxy-grown film. The thin films exhibited metallic transport with a room temperature resistivity of 125 μΩ cm in addition to a large anomalous Hall effect with a Hall angle tangent of 0.023.

  4. The field induced e{sub 31,f} piezoelectric and Rayleigh response in barium strontium titanate thin films

    SciTech Connect

    Garten, L. M. Trolier-McKinstry, S.

    2014-09-29

    The electric field induced e{sub 31,f} piezoelectric response and tunability of Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} (70:30) and Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} (60:40) thin films on MgO and silicon was measured. The relative dielectric tunabilities for the 70:30 and 60:40 compositions on MgO were 83% and 70%, respectively, with a dielectric loss of less than 0.011 and 0.004 at 100 kHz. A linear increase in induced piezoelectricity to −3.0 C/m{sup 2} and −1.5 C/m{sup 2} at 110 kV/cm was observed in Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} on MgO and Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} on Si. Hysteresis in the piezoelectric and dielectric response of the 70:30 composition films was consistent with the positive irreversible dielectric Rayleigh coefficient. Both indicate a ferroelectric contribution to the piezoelectric and dielectric response over 40–80 °C above the global paraelectric transition temperature.

  5. Pulsed laser deposition of air-sensitive hydride epitaxial thin films: LiH

    SciTech Connect

    Oguchi, Hiroyuki; Isobe, Shigehito; Kuwano, Hiroki; Shiraki, Susumu; Hitosugi, Taro; Orimo, Shin-ichi

    2015-09-01

    We report on the epitaxial thin film growth of an air-sensitive hydride, lithium hydride (LiH), using pulsed laser deposition (PLD). We first synthesized a dense LiH target, which is key for PLD growth of high-quality hydride films. Then, we obtained epitaxial thin films of [100]-oriented LiH on a MgO(100) substrate at 250 °C under a hydrogen pressure of 1.3 × 10{sup −2} Pa. Atomic force microscopy revealed that the film demonstrates a Stranski-Krastanov growth mode and that the film with a thickness of ∼10 nm has a good surface flatness, with root-mean-square roughness R{sub RMS} of ∼0.4 nm.

  6. Perpendicular magnetic anisotropy in Mn2CoAl thin film

    NASA Astrophysics Data System (ADS)

    Sun, N. Y.; Zhang, Y. Q.; Fu, H. R.; Che, W. R.; You, C. Y.; Shan, R.

    2016-01-01

    Heusler compound Mn2CoAl (MCA) is attracting more attentions due to many novel properties, such as high resistance, semiconducting behavior and suggestion as a spin-gapless material with a low magnetic moment. In this work, Mn2CoAl epitaxial thin film was prepared on MgO(100) substrate by magnetron sputtering. The transport property of the film exhibits a semiconducting-like behavior. Moreover, our research reveals that perpendicular magnetic anisotropy (PMA) can be induced in very thin Mn2CoAl films resulting from Mn-O and Co-O bonding at Mn2CoAl/MgO interface, which coincides with a recent theoretical prediction. PMA and low saturation magnetic moment could lead to large spin-transfer torque with low current density in principle, and thus our work may bring some unanticipated Heusler compounds into spintronics topics such as the domain wall motion and the current-induced magnetization reversal.

  7. Field dependent magnetic anisotropy of Fe1-xZnx thin films

    NASA Astrophysics Data System (ADS)

    Resnick, Damon A.; McClure, A.; Kuster, C. M.; Rugheimer, P.; Idzerda, Y. U.

    2013-05-01

    Using longitudinal magneto-optical Kerr effect in combination with a variable strength rotating magnetic field, called the Rotational Magneto-Optic Kerr Effect (ROTMOKE) method, we show that the magnetic anisotropy for thin Fe82Zn18 single crystal films, grown on MgO(001) substrates, depends linearly on the strength of the applied magnetic field at low fields but is constant (saturates) at fields greater than 350 Oe. The torque moment curves generated using ROTMOKE are well fit with a model that accounts for the uniaxial and cubic anisotropy with the addition of a cubic anisotropy that depends linearly on the applied magnetic field. The field dependent term is evidence of a large effect on the effective magnetic anisotropy in Fe1-xZnx thin films by the magnetostriction.

  8. Misorientations in [001] magnetite thin films studied by electron backscatter diffraction and magnetic force microscopy

    NASA Astrophysics Data System (ADS)

    Koblischka-Veneva, A.; Koblischka, M. R.; Wei, J. D.; Zhou, Y.; Murphy, S.; Mücklich, F.; Hartmann, U.; Shvets, I. V.

    2007-05-01

    Magnetite thin films grown on [001] oriented MgO substrates are analyzed by means of electron backscatter diffraction (EBSD) analysis and magnetic force microscopy in applied fields. The EBSD technique enables the crystallographic orientation of individual grains to be determined with a high spatial resolution up to 20nm on such ceramic samples. A high image quality of the recorded Kikuchi patterns was achieved enabling multiphase scans and high spatial resolution measurements. Upon annealing in air, the magnetic properties of the magnetite thin films were found to change considerably. Using the EBSD analysis, we find that misoriented grains remaining after the annealing step form small islands with a size of about 100nm. The size and distribution of these islands correspond well to the observations of antiferromagnetic pinning centers within the magnetic domain structures carried out by magnetic force microscopy on the same samples.

  9. Use of MgO doped with a divalent or trivalent metal cation for removing arsenic from water

    DOEpatents

    Moore, Robert C; Holt-Larese, Kathleen C; Bontchev, Ranko

    2013-08-13

    Systems and methods for use of magnesium hydroxide, either directly or through one or more precursors, doped with a divalent or trivalent metal cation, for removing arsenic from drinking water, including water distribution systems. In one embodiment, magnesium hydroxide, Mg(OH).sub.2 (a strong adsorbent for arsenic) doped with a divalent or trivalent metal cation is used to adsorb arsenic. The complex consisting of arsenic adsorbed on Mg(OH).sub.2 doped with a divalent or trivalent metal cation is subsequently removed from the water by conventional means, including filtration, settling, skimming, vortexing, centrifugation, magnetic separation, or other well-known separation systems. In another embodiment, magnesium oxide, MgO, is employed, which reacts with water to form Mg(OH).sub.2. The resulting Mg(OH).sub.2 doped with a divalent or trivalent metal cation, then adsorbs arsenic, as set forth above. The method can also be used to treat human or animal poisoning with arsenic.

  10. Fabrication of copper and gold nanoclusters in MgO (100) by MeV ion implantation

    SciTech Connect

    Zimmerman, R.L.; Ila, D.; Williams, E.K.; Sarkisov, S.S.; Poker, D.B.; Hensley, D.K.

    1997-10-01

    MeV ions of Au and Cu were implanted into single crystals of MgO (100) and the formation of metallic nanoclusters was observed by an indirect method of optical absorption spectrophotometry. Using Mei`s theory the authors related the observed optical absorption band to the formation of nanoclusters and using Doyle`s theory, as well as Rutherford Backscattering Spectrometry (RB S), the authors correlated the fill width half maximum (FWHM) of the absorption bands to the estimated size of the metallic nanoclusters between 1--10 nm. These clusters were formed by implantation above the threshold fluence for cluster formation and by a combination of threshold fluence of the implanted species and thermal annealing. The changes in the estimated size of the nanoclusters, after annealing at temperatures ranging from 5,000 C to 10,000 C, were observed using optical absorption spectrophotometry and calculated using Doyle`s theory.

  11. Perpendicular magnetization of Co2FeAl full-Heusler alloy films induced by MgO interface

    NASA Astrophysics Data System (ADS)

    Wen, Zhenchao; Sukegawa, Hiroaki; Mitani, Seiji; Inomata, Koichiro

    2011-06-01

    The perpendicular magnetization of Co2FeAl (CFA) full-Heusler alloy films was achieved in the structures of CFA/MgO and MgO/CFA with the perpendicular magnetic anisotropy energy density (KU) of 2-3×106 erg/cm3, which can be used as the perpendicular ferromagnetic electrodes of MgO-based magnetic tunnel junctions (MTJs) with high thermal stability at sub-50-nm dimension. The CFA thickness dependence of KU was investigated at different annealing temperatures, indicating that the perpendicular anisotropy of CFA is contributed by the interfacial anisotropy between CFA and MgO. This letter will open up a way for obtaining perpendicular magnetization of Co-based full-Heusler alloys, which is promising for further reduction in the critical current of current induced magnetization switching in MgO-based MTJ nanopillars with perpendicular full-Heusler alloy electrodes.

  12. Development and characterization of Mn{sup 2+}-doped MgO nanoparticles by solution combustion synthesis

    SciTech Connect

    Basha, Md. Hussain; Gopal, N. O.; Rao, J. L.; Nagabhushana, H.; Nagabhushana, B. M.; Chakradhar, R. P. S.

    2015-06-24

    Mn doped MgO Nanoparticles have been prepared by Solution Combustion Synthesis. The synthesized sample is characterized by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). The prepared MgO:Mn (1 mol%) nano crystals appear to be of simple cubic crystalline phase with lattice parameters a = 4.218(2) Å and cell volume = 74.98 (7) Å{sup 3}. SEM micrograph of powders show highly porous, many agglomerates with irregular morphology, large voids, cracks and pores. EPR spectrum of the sample at room temperature exhibit an isotropic sextet hyperfine pattern, centered at g=1.99, characteristic if Mn{sup 2+} ions with S=I=5/2.The observed g value and the hyperfine value reveal the ionic bonding between Mn{sup 2+} and its surroundings.

  13. Large perpendicular magnetic anisotropy of single Co atom on MgO monolayer: A first-principles study

    SciTech Connect

    Shao, Bin; Shi, Wu-Jun; Feng, Min; Zuo, Xu

    2015-05-07

    Realizing the magnetic bit with a single atom is the ultimate goal for magnetic storage. Based on density functional theory, the magnetic anisotropy (MA) of single Co atom on MgO monolayer has been investigated. Results show that this two dimensional system possesses a large perpendicular MA, about 5.8 meV per Co atom. Besides, there exists remarkable unquenched orbital moments for different magnetization directions, which can be attributed to the reduction of coordination number in two dimensional system and is responsible for the enhanced MA. The Bloch pseudo-wavefunction and band structure of Co d-orbitals have been calculated to elucidate the origin of the perpendicular MA.

  14. In situ transport measurements of plasma-oxidized MgO magnetic tunnel junctions during the annealing process

    SciTech Connect

    Anderson, G. I. R.; Hindmarch, A. T.; Marrows, C. H.; Hickey, B. J.

    2006-04-15

    The postdeposition annealing of magnetic tunnel junctions has become standard practice in junction fabrication to improve barrier properties. We have performed tunneling measurements at elevated temperatures during the annealing process on plasma-oxidized, MgO barrier, magnetic tunnel junctions. The data were interpreted in terms of the Hartman model which accounts for an asymmetric barrier profile. The results could not be interpreted solely by the temperature smearing of the Fermi distribution and so the electrode/barrier/electrode structure had been altered during the annealing. While the barrier height at one interface improved, the other was degraded. Our experiments lead us to believe that this is due to the diffusion of Mn to the barrier/pinned electrode interface. We show that through transport and tunneling magnetoresistance measurements it is possible to monitor physical processes such as material migration during the annealing process.

  15. Synthesis of Dimethyl Carbonate from Ethylene Carbonate and Methanol Over Nano-Catalysts Supported on CeO2-MgO.

    PubMed

    Jun, Jin Oh; Lee, Joongwon; Kang, Ki Hyuk; Song, In Kyu

    2015-10-01

    A series of CeO2(X)-MgO(1-X) (X = 0, 0.25, 0.5, 0.75, and 1.0) nano-catalysts were prepared by a co-precipitation method for use in the synthesis of dimethyl carbonate from ethylene carbonate and methanol. Among the CeO2(X)-MgO(1-X) catalysts, CeO2(0.25)-MgO(0.75) nano-catalyst showed the best catalytic performance. Alkali and alkaline earth metal oxides (MO = Li2O, K2O, Cs2O, SrO, and BaO) were then supported on CeO2(0.25)-MgO(0.75) by an incipient wetness impregnation method with an aim of improving the catalytic performance of CeO2(0.25)-MgO(0.75). Basicity of the catalysts was determined by CO2-TPD experiments in order to elucidate the effect of basicity on the catalytic performance. The correlation between catalytic performance and basicity showed that basicity played an important role in the reaction. Yield for dimethyl carbonate increased with increasing basicity of the catalysts. Among the catalysts tested, Li2O/CeO2(0.25)-MgO(0.75) nano-catalyst with the largest basicity showed the best catalytic performance in the synthesis of dimethyl carbonate.

  16. Ceramsite obtained from water and wastewater sludge and its characteristics affected by Fe2O3, CaO, and MgO.

    PubMed

    Zou, J L; Xu, G R; Li, G B

    2009-06-15

    To solve the disposal problems of residual sludges, wastewater treatment sludge (WWTS) and drinking-water treatment sludge (DWTS) were tested as components for producing ceramsite. Fe(2)O(3), CaO, and MgO were the major basic oxides in WWTS and DWTS, so their effect on characteristics of ceramsite was also investigated to optimize the process. Results show that WWTS and DWTS can be utilized for producing ceramsite with optimal contents of Fe(2)O(3), CaO, and MgO ranging 5-8%, 2.75-7%, and 1.6-4%, respectively. Ceramsite within the optimal Fe(2)O(3), CaO, and MgO contents ranges was characterized using thermal analysis, X-ray diffraction (XRD), morphological structures analyses, and compressive strength measurements. Higher strength ceramsite with more complex crystalline phases and fewer pores can be obtained at 6%MgO because Mg(2+) cannot destroy the unity of crystalline structures. This revolutionary technology of utilization of WWTS and DWTS can produce high performance ceramsite thus reducing costs of sludge disposal, in accordance with the concept of sustainable development.

  17. Effects of MgO and TiO2 on the viscous behaviors and phase compositions of titanium-bearing slag

    NASA Astrophysics Data System (ADS)

    Feng, Cong; Chu, Man-sheng; Tang, Jue; Qin, Jin; Li, Feng; Liu, Zheng-gen

    2016-08-01

    The effects of MgO and TiO2 on the viscosity, activation energy for viscous flow, and break-point temperature of titanium-bearing slag were studied. The correlation between viscosity and slag structure was analyzed by Fourier transform infrared (FTIR) spectroscopy. Subsequently, main phases in the slag and their content changes were investigated by X-ray diffraction and Factsage 6.4 software package. The results show that the viscosity decreases when the MgO content increases from 10.00wt% to 14.00wt%. Moreover, the break-point temperature increases, and the activation energy for viscous flow initially increases and subsequently decreases. In addition, with increasing TiO2 content from 5.00wt% to 9.00wt%, the viscosity decreases, and the break-point temperature and activation energy for viscous flow initially decrease and subsequently increase. FTIR analyses reveal that the polymerization degree of complex viscous units in titanium-bearing slag decreases with increasing MgO and TiO2 contents. The mechanism of viscosity variation was elucidated. The basic phase in experimental slags is melilite. Besides, as the MgO content increases, the amount of magnesia-alumina spinel in the slag increases. Similarly, the sum of pyroxene and perovskite phases in the slag increases with increasing TiO2 content.

  18. Synthesis of Dimethyl Carbonate from Ethylene Carbonate and Methanol Over Nano-Catalysts Supported on CeO2-MgO.

    PubMed

    Jun, Jin Oh; Lee, Joongwon; Kang, Ki Hyuk; Song, In Kyu

    2015-10-01

    A series of CeO2(X)-MgO(1-X) (X = 0, 0.25, 0.5, 0.75, and 1.0) nano-catalysts were prepared by a co-precipitation method for use in the synthesis of dimethyl carbonate from ethylene carbonate and methanol. Among the CeO2(X)-MgO(1-X) catalysts, CeO2(0.25)-MgO(0.75) nano-catalyst showed the best catalytic performance. Alkali and alkaline earth metal oxides (MO = Li2O, K2O, Cs2O, SrO, and BaO) were then supported on CeO2(0.25)-MgO(0.75) by an incipient wetness impregnation method with an aim of improving the catalytic performance of CeO2(0.25)-MgO(0.75). Basicity of the catalysts was determined by CO2-TPD experiments in order to elucidate the effect of basicity on the catalytic performance. The correlation between catalytic performance and basicity showed that basicity played an important role in the reaction. Yield for dimethyl carbonate increased with increasing basicity of the catalysts. Among the catalysts tested, Li2O/CeO2(0.25)-MgO(0.75) nano-catalyst with the largest basicity showed the best catalytic performance in the synthesis of dimethyl carbonate. PMID:26726512

  19. Magnetic anisotropy of [Co2MnSi/Pd]n superlattice films prepared on MgO(001), (110), and (111) substrates

    NASA Astrophysics Data System (ADS)

    Matsushita, Naoki; Takamura, Yota; Fujino, Yorinobu; Sonobe, Yoshiaki; Nakagawa, Shigeki

    2015-02-01

    Superlattice films with full-Heusler Co2MnSi (CMS) alloy and Pd layers prepared on Pd-buffered MgO(001), (110), and (111) substrates were investigated. Crystal orientation and epitaxial relationship of Pd and CMS layers were analyzed from x-ray diffraction, pole figure measurements, and transmission electron microscope observation. Formation of the L21-ordered structure in the CMS layers was confirmed by observation of CMS(111) diffraction. Perpendicular magnetic anisotropy (PMA) was obtained in the [CMS (0.6 nm)/Pd (2 nm)]6 superlattice film formed using MgO(111) substrates although other superlattice films prepared using MgO(001) and (110) substrates showed in-plane and isotropic magnetic anisotropy, respectively. The perpendicular magnetic anisotropy energy constant K for the superlattice films prepared using MgO(111) substrate was estimated to be 2.3 Mergs/cm3, and an interfacial anisotropy constant Ki per one CMS-Pd interface in the superlattice films was estimated to be 0.16 ergs/cm2. Ki in superlattice films with various crystal orientations showed positive values, indicating that Pd/CMS interfaces had an ability to induce PMA regardless of their crystal orientation.

  20. Magnetic anisotropy of [Co{sub 2}MnSi/Pd]{sub n} superlattice films prepared on MgO(001), (110), and (111) substrates

    SciTech Connect

    Matsushita, Naoki; Takamura, Yota; Fujino, Yorinobu; Nakagawa, Shigeki; Sonobe, Yoshiaki

    2015-02-09

    Superlattice films with full-Heusler Co{sub 2}MnSi (CMS) alloy and Pd layers prepared on Pd-buffered MgO(001), (110), and (111) substrates were investigated. Crystal orientation and epitaxial relationship of Pd and CMS layers were analyzed from x-ray diffraction, pole figure measurements, and transmission electron microscope observation. Formation of the L2{sub 1}-ordered structure in the CMS layers was confirmed by observation of CMS(111) diffraction. Perpendicular magnetic anisotropy (PMA) was obtained in the [CMS (0.6 nm)/Pd (2 nm)]{sub 6} superlattice film formed using MgO(111) substrates although other superlattice films prepared using MgO(001) and (110) substrates showed in-plane and isotropic magnetic anisotropy, respectively. The perpendicular magnetic anisotropy energy constant K for the superlattice films prepared using MgO(111) substrate was estimated to be 2.3 Mergs/cm{sup 3}, and an interfacial anisotropy constant K{sub i} per one CMS-Pd interface in the superlattice films was estimated to be 0.16 ergs/cm{sup 2}. K{sub i} in superlattice films with various crystal orientations showed positive values, indicating that Pd/CMS interfaces had an ability to induce PMA regardless of their crystal orientation.

  1. Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms

    NASA Astrophysics Data System (ADS)

    Kozlov, Sergey M.; Aleksandrov, Hristiyan A.; Goniakowski, Jacek; Neyman, Konstantin M.

    2013-08-01

    Presently, density functional computational studies of nanostructures in heterogeneous catalysts consider either sufficiently big ("scalable with size") unsupported metal nanoparticles (NPs) or small supported metal clusters. Both models may not be sufficiently representative of a few nm in size supported transition metal NPs dealt with in experiment. As a first step in closing the gap between theoretical models and prepared systems, we investigate the effect of a rather chemically inert oxide support, MgO(100), on relative energies and various properties of Pd and Pt NPs that consist of 49-155 atoms (1.2-1.6 nm in size) and exhibit bulk-like fcc structural arrangements. Shapes and interface configurations of metal NPs on MgO were obtained as a result of thorough optimization within the fcc motif using interatomic potentials. Then the stability and properties of the NPs were studied with a density functional method. We comprehensively characterize interaction between the NPs and MgO(100) support, their interface and effect of the support on NP properties. While the effect of MgO on relative stabilities of NPs with different shapes is found to be significant, other properties of the NPs such as electronic structure and interatomic distances within NP do not notably change upon deposition. This work paves the way to large-scale first-principles computational studies of more realistic models of oxide-supported metal catalysts.

  2. The effect of the MgO buffer layer thickness on magnetic anisotropy in MgO/Fe/Cr/MgO buffer/MgO(001)

    NASA Astrophysics Data System (ADS)

    Kozioł-Rachwał, Anna; Nozaki, Takayuki; Zayets, Vadym; Kubota, Hitoshi; Fukushima, Akio; Yuasa, Shinji; Suzuki, Yoshishige

    2016-08-01

    The relationship between the magnetic properties and MgO buffer layer thickness d was studied in epitaxial MgO/Fe(t)/Cr/MgO(d) layers grown on MgO(001) substrate in which the Fe thickness t ranged from 0.4 nm to 1.1 nm. For 0.4 nm ≤ t ≤ 0.7 nm, a non-monotonic coercivity dependence on the MgO buffer thickness was shown by perpendicular magneto-optic Kerr effect magnetometry. For thicker Fe films, an increase in the buffer layer thickness resulted in a spin reorientation transition from perpendicular to the in-plane magnetization direction. Possible origins of these unusual behaviors were discussed in terms of the suppression of carbon contamination at the Fe surface and changes in the magnetoelastic anisotropy in the system. These results illustrate a method to control magnetic anisotropy in MgO/Fe/Cr/MgO(d) via an appropriate choice of MgO buffer layer thickness d.

  3. Preparation of bi-axially aligned YBa 2Cu 3O 7- δ film on CeO 2-buffered MgO by chemical solution deposition

    NASA Astrophysics Data System (ADS)

    Yamagiwa, K.; Hiei, H.; Takahashi, Y.; Kim, S. B.; Matsumoto, K.; Ikuta, H.; Mizutani, U.; Hirabayashi, I.

    2000-06-01

    We have succeeded in preparing in-plane aligned YBa 2Cu 3O 7- δ (Y123) film by chemical solution deposition (CSD) processing on CeO 2 (100)-buffered MgO (100) substrates. The CeO 2 buffer film was deposited on MgO (100) single crystalline substrate by pulsed laser deposition (PLD). For CSD coating, a homogeneous coating solution having a molar ratio of Y:Ba:Cu=1:2:3, was prepared by dissolving metal naphthenates in toluene. This solution was spin-coated both on the YSZ (100) and on the CeO 2-buffered MgO (100) single crystalline substrates. The precursor films were calcined at 425°C and fired at various temperatures under low oxygen partial pressure ( pO 2). All Y123 films showed strong (00 n) peaks, which correspond to c-axis orientation perpendicular to the substrates and their a/ b-axes were in-plane aligned. We confirmed that CeO 2 buffer is usable for CSD processing. While the Y123 films on the YSZ reacted with the substrate forming BaZrO 3 phase and did not show sufficient superconducting properties. The Tc,zero value of the Y123 film prepared on CeO 2-buffered MgO substrate was 91.5 K and Jc was 1.2×10 5 A/cm 2 at 77 K, 0 T.

  4. Phase relationships in the quasi-ternary LaO1.5-SiO2-MgO system at 1773 K

    NASA Astrophysics Data System (ADS)

    Kobayashi, Kiyoshi; Sakka, Yoshio

    2012-08-01

    Phase relationships in the LaO1.5-SiO2-MgO quasi-ternary system at 1773 K were investigated by powder x-ray diffraction (XRD) analysis applying single- and multiple-phase Rietveld methods. Most of the formed phases satisfied the Gibbs’ phase rule, except for the samples containing LaO1.5 and a liquid phase at 1773 K. The detection of segregated MgO phases was difficult in the XRD profiles of the compositional samples around the oxyapatite single phase because the MgO peaks were weak and heavily overlapped by peaks from the oxyapatite and La(OH)3 phases. The solid solubility limit of MgO in oxyapatite was determined not only from the chemical composition of the oxyapatite phase, which was confirmed by XRD, but also from several phase boundary compositions among the two-phase and three-phase regions based on the Gibbs’ phase rule. Formation of a liquid phase at 1773 K was observed in a wide range of compositions and considered when constructing the phase diagram.

  5. First principles calculations of formation energies and elastic constants of inclusions α-Al2O3, MgO and AlN in aluminum alloy

    NASA Astrophysics Data System (ADS)

    Liu, Yu; Huang, Yuanchun; Xiao, Zhengbing; Yang, Chuge; Reng, Xianwei

    2016-05-01

    In this paper, the formation energies and elastic constants of α-Al2O3, MgO and AlN in both rock salt (cubic) and wurtzite (hexagonal) structures were investigated by first principles calculations. The results show that the formation energy being -17.8, -6.3, -3.06 and -3.46 eV/formula unit for α-Al2O3, MgO, AlN (rock salt) and AlN (wurtzite). It suggests that in the ground state, α-Al2O3 is relatively more stable than MgO and AlN. The elastic properties for a polycrystalline in the ground state were calculated with the obtained elastic constants, the elastic properties reveal the rock salt structure AlN is the hardest particles among all the inclusions, and all of these inclusions are classified as brittle materials, which is detrimental to the ductile nature of aluminum matrix. The calculated anisotropy index shows that the AlN (wurtzite) and α-Al2O3 have a lower degree of anisotropy compared with MgO and AlN (rock salt). The calculated results are in good agreement with the values of experimental and other works.

  6. Effect of SnO, MgO and Ag2O Mix-doping on the Formation and Superconducting Properties of Bi-2223 Ag/tapes

    NASA Astrophysics Data System (ADS)

    Lu, X. Y.; Yi, D.; Chen, H.; Nagata, A.

    The Ag/tapes with the composition Bi1.8Pb0.4Sr1.9Ca2.1Cu3.5Oy + x wt% SnO + y wt% MgO + z wt% Ag2O (x = 0, 0.2, 0.4; y = 0, 0.2; z = 0, 0.2) were prepared by sintering at 835°C for 120 h after partial-melting at 845°C for 1 h. The individual SnO doping, SnO and Ag2O mix-doping, and SnO and MgO mix-doping all decrease the conversion of Bi-2212 phase to Bi-2223 phase. The tape with individual 0.4 wt% SnO doping shows the lowest conversion and the lowest critical current density. However, the SnO, MgO and Ag2O mix-doping increase the conversion of Bi-2212 phase to Bi-2223 phase. The tape with 0.2 wt% SnO, 0.2 wt% MgO and 0.2 wt%Ag2O mix-doping shows the highest proportion of Bi-2223 phase and the highest critical current density.

  7. Solubility of MgO in MgCl{sub 2}-NaCl-NaF melts

    SciTech Connect

    Mediaas, H.; Vinstad, J.E.; Oestvold, T.

    1996-10-01

    The solubility of MgO in MgCl{sub 2}-NaCl-NaF melts has been measured for melts with varying NaF concentration for x{sub MgCl{sub 2}} = 0.10 and 0.63 and for x{sub MgCl{sub 2}}/x{sub NaCl} = 1.70. Melt samples have been analyzed by carbothermal reduction (Leco TC-436) for total oxide content. The oxide content in the binary melt MgCl{sub 2}-NaCl was also analyzed by Iodometric titration. The results indicate two different oxide-containing species, denoted MgOCl and MgOF, in the solidified samples withdrawn from the melt. The latter appears only in fluoride-containing melts, but may, however, also contain chloride ions. The oxide solubility is increasing with increasing concentration of Mg{sup 2+} in both MgCl{sub 2}-NaCl and MgCl{sub 2}-NaCl-NaF melts. The solubility of MgO is always higher in fluoride containing melts at the same Mg{sup 2+} concentration. In the systems concentrated in MgCl{sub 2}, the increase in oxide solubility as function of x{sub NaF} is more pronounced than what is predicted from a simple model calculation. The increase is much smaller in the x{sub NaF} < 0.2 range for small MgCl{sub 2} contents than predicted from the same model calculation. The introduction of 1.7 mol% NaF to an industrial electrolyte does not seem to change the oxide solubility significantly. In such an electrolyte, where x{sub MgCl{sub 2}} {approx_equal} 0.1, the data gives a constant oxide solubility around 10 ppm O up to 5 mol% NaF.

  8. Defect states at organic-inorganic interfaces: Insight from first principles calculations for pentaerythritol tetranitrate on MgO surface

    NASA Astrophysics Data System (ADS)

    Tsyshevsky, Roman V.; Rashkeev, Sergey N.; Kuklja, Maija M.

    2015-07-01

    Light-responsive organic-inorganic interfaces offer experimental opportunities that are otherwise difficult to achieve. Since laser light can be manipulated very precisely, it becomes possible to engineer selective, predictive, and highly controlled interface properties. Photochemistry of organic-inorganic energetic interfaces is a rapidly emerging research field in which energy absorption and interface stability mechanisms have yet to be established. To explore the interaction of the laser irradiation with molecular materials, we performed first principle calculations of a prototype organic-inorganic interface between a nitroester (pentaerythritol tetranitrate, PETN, C5H8N4O12) and a magnesium oxide (MgO) surface. We found that the light absorption is defined by the band alignment between interface components and interfacial charge transfer coupled with electronic states in the band gap, generated by oxide surface defects. Hence the choice of an oxide substrate and its morphology makes the optical absorption tunable and governs both the energy accumulation and energy release at the interface. The obtained results offer a possible consistent interpretation of experiments on selective laser initiation of energetic materials, which reported that the presence of metal oxide additives triggered the photoinitiation by excitation energy much lower than the band gap. We suggest that PETN photodecomposition is catalyzed by oxygen vacancies (F0 centers) at the MgO surface. Our conclusions predict ways for a complete separation of thermo- and photo-stimulated interface chemistry of molecular materials, which is imperative for highly controllable fast decomposition and was not attainable before. The methodology described here can be applied to any type of molecular material/wide band gap dielectric interfaces. It provides a solid basis for novel design and targeted improvements of organic-inorganic interfaces with desired properties that promise to enable vastly new concepts

  9. Ion Transport and All-Solid Battery Characterization Studies on Mg2+-ION Conducting Nano-Composite Polymer Electrolyte (NCPEs):. (75PEO: 25MgSO4) + x MgO

    NASA Astrophysics Data System (ADS)

    Agrawal, R. C.; Mahipal, Y. K.; Sahu, Dinesh; Keshrawani, Priyanka

    2013-07-01

    Characterization of ion transport property on Mg2+-ion conducting Nano Composite Polymer Electrolytes (NCPEs): (75PEO: 25MgSO4) + x MgO, where x = 0, 1, 2, 3, 4, 5, 6, 8, 10, 12 wt. (%) has been reported. Solid Polymer Electrolyte (SPE) composition: [75PEO: 25MgSO4)], identified as the highest conducting film in an earlier study with room temperature conductivity σ ˜ 3.38 × 10-7 S /cm, has been used as Ist-phase host matrix and active filler MgO particles (micro / nano-dimension) as IInd - phase dispersoid. NCPE films have been prepared by a novel hot-press technique in place of the traditional solution cast method. Hot-press technique is recently receiving wider acceptability to cast polymeric electrolyte films due to the fact that it is a completely dry/solvent free/rapid/inexpensive procedure as compared to solution cast method. The Optimum Conducting Composition (OCC) of NCPE film has been identified from the filler-dependent conductivity measurements. As a consequence of dispersal of nano-size particles, the room temperature conductivity (σ) in NCPE OCC film increased by an order of magnitude i.e. σ ˜ 2.29 × 10-6 Scm-1. The quality of the film also improved substantially. The total ionic transference number (tion) and the cationic (Mg2+) transport number (t+) have been determined using dc polarization and a combined ac/dc technique respectively. A considerable increase in t+ could be achieved with the dispersal of nanoparticles. The confirmation of the salt-complexation in PEO polymer was done by FTIR spectroscopic studies. The temperature dependent conductivity measurements were carried out in NCPE OCC film and the activation energy (Ea) has been computed from `log σ - 1/T' Arrhenius plot. All-solid-state battery has been fabricated in the cell configuration: Mg (anode) // NCPE OCC film// MnO2 + C + Electrolyte (cathode), in which both the cathode and anode were in the form of thin pellet. The Open Circuit Voltage (OCV) ˜ 1.82 V was obtained. The

  10. Spin-polarized current effects in disordered La0.7Ba0.3MnO3 half-metal thin films

    NASA Astrophysics Data System (ADS)

    Barone, C.; Aruta, C.; Galdi, A.; Orgiani, P.; Quaranta, O.; Maritato, L.; Pagano, S.

    2010-06-01

    We have investigated by means of noise spectroscopy the transport properties of half-metal La0.7Ba0.3MnO3 (LBMO) thin films deposited on MgO substrates. A reduced metal-insulator transition temperature and a peculiar noise behaviour are observed in the films grown on MgO substrates, when compared with similar films grown on SrTiO3 substrates. In particular, a large increase in noise is observed below the metal-insulator transition temperature, associated with a current induced reduction in the excess noise level. This finding is explained in terms of the spin torque effect between regions with depressed Curie temperatures among the ferromagnetic metallic domains. The proposed theoretical model, taking into account the half-metal character of manganites, describes well the experimental data.

  11. Reducing spin-torque switching current by incorporating an ultra-thin Ta layer with CoFeB free layer in magnetic tunnel junctions

    SciTech Connect

    Liu, R. S. Meng, H.; Naik, V. B.; Sim, C. H.; Yap, S.; Luo, P.

    2014-12-15

    We studied the spin torque switching in dual MgO layer based magnetic tunnel junctions (MTJs) by incorporating an ultra-thin (0.5 nm) Ta layer at the CoFeB free layer/top MgO layer interface. The Ta incorporated MTJ showed a significant reduction (∼30%) in critical switching current density (J{sub C0} ) as compared to that of the control MTJ whilst maintaining the same tunneling magnetoresistance as well as thermal stability. The reduction of J{sub C0} can be attributed to the perpendicular magnetic anisotropy arising from the incorporation of an ultrathin Ta layer with the MgO|CoFeB structure. This scheme of reducing J{sub C0} without degrading other properties may contribute to the development of spin-transfer-torque magnetic random access memory for low power applications.

  12. DIELECTRIC PROPERTIES OF BA(0.6)SR(0.4)TiO(3) THIN FILMS WITH VARIOUS STRAIN STATES

    SciTech Connect

    B. PARK; E. PETERSON; ET AL

    2001-04-01

    We could systematically control the strain states of a Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} film by depositing a very thin Ba{sub 1{minus}x}Sr{sub x}TiO{sub 3} interlayer between the main layer of the Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} and a MgO(001) substrate. Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} films showed very strong dependence of dielectric properties on the strain states. The strain induced by the MgO substrate was relaxed faster than that induced by an interlayer.

  13. Large anisotropic Fe orbital moments in perpendicularly magnetized Co2FeAl Heusler alloy thin films revealed by angular-dependent x-ray magnetic circular dichroism

    NASA Astrophysics Data System (ADS)

    Okabayashi, Jun; Sukegawa, Hiroaki; Wen, Zhenchao; Inomata, Koichiro; Mitani, Seiji

    2013-09-01

    Perpendicular magnetic anisotropy (PMA) in Heusler alloy Co2FeAl thin films sharing an interface with a MgO layer is investigated by angular-dependent x-ray magnetic circular dichroism. Orbital and spin magnetic moments are deduced separately for Fe and Co 3d electrons. In addition, the PMA energies are estimated using the orbital magnetic moments parallel and perpendicular to the film surfaces. We found that PMA in Co2FeAl is determined mainly by the contribution of Fe atoms with large orbital magnetic moments, which are enhanced at the interface between Co2FeAl and MgO. Furthermore, element specific magnetization curves of Fe and Co are found to be similar, suggesting the existence of ferromagnetic coupling between Fe and Co PMA directions.

  14. Microstructural, Magnetic Anisotropy, and Magnetic Domain Structure Correlations in Epitaxial FePd Thin Films with Perpendicular Magnetic Anisotropy

    NASA Technical Reports Server (NTRS)

    Skuza, J. R.; Clavero, C.; Yang, K.; Wincheski, B.; Lukaszew, R. A.

    2009-01-01

    L1(sub 0)-ordered FePd epitaxial thin films were prepared using dc magnetron sputter deposition on MgO (001) substrates. The films were grown with varying thickness and degree of chemical order to investigate the interplay between the microstructure, magnetic anisotropy, and magnetic domain structure. The experimentally measured domain size/period and magnetic anisotropy in this high perpendicular anisotropy system were found to be correlated following the analytical energy model proposed by Kooy and Enz that considers a delicate balance between the domain wall energy and the demagnetizing stray field energy.

  15. Comparison between HTS nonlinearities in patterned and unpatterned thin films

    NASA Astrophysics Data System (ADS)

    Mateu, Jordi; Collado, Carlos; O'Callaghan, Juan M.; Universitat Politecnica de Catalunya Team

    2004-03-01

    High Temperature Superconductor (HTS) materials exhibit a surface impedance dependence on the applied field. This behavior still remains not yet fully understood. To overcome this, many experiments have been carried out through the last decade. In general, the experimental work has been done measuring intermodulation products in patterned devices since most of practical devices are based on patterned structures. In this case the nonlinearities might come from many causes -- HTS properties, possible damage due to patterning, shape of resonator, etc.--, which need to be characterized. This raises the question of how representative of HTS properties are the experiments performed on patterned samples. To address this, we propose such a procedure, which is based on obtaining parameters describing the HTS nonlinearities from intermodulation measurements made on unpatterned and patterned thin films. As example, we have characterized the nonlinearities in a one side 10x10 mm^2 YBCO on MgO thin film by measuring the intermodulation products with a rutile-loaded cavity operating at TE_011 mode and a coplanar half-wave resonator. The intermodulation data in both type of measurements can be fitted using closed-form expressions and numerical techniques with identical nonlinear parameters of the HTS.

  16. Creation of nanopores on graphene planes with MgO template for preparing high-performance supercapacitor electrodes

    NASA Astrophysics Data System (ADS)

    Wang, Huanjing; Sun, Xiuxia; Liu, Zonghuai; Lei, Zhibin

    2014-05-01

    Creation of nanopores on graphene planar sheets is of great significance in promoting the kinetic diffusion of electrolyte and enhancing the utilization efficiency of graphene planar sheets. Herein, we developed a facile chemical vapor deposition strategy to prepare highly porous graphene with flake-like MgO as template and ferrocene as the carbon precursor. The graphene layers show a highly porous structure with small mesopores of 4-8 nm, large mesopores of 10-20 nm and additional macropores of 100-200 nm. These nanopores on graphene sheets provide numerous channels for fast ion transport perpendicular to the 2D basal plane, while the good powder conductivity ensures an effective electron propagation within the 2D graphene plane. As a result, a specific capacitance of 303 F g-1, an areal capacitance up to 17.3 μF cm-2 and a nearly tenfold shorter time constant were achieved when compared with those of nonporous and stacked graphene electrodes. The method demonstrated herein would open up an opportunity to prepare porous graphene for a wide applications in energy storage, biosensors, nanoelectronics and catalysis.Creation of nanopores on graphene planar sheets is of great significance in promoting the kinetic diffusion of electrolyte and enhancing the utilization efficiency of graphene planar sheets. Herein, we developed a facile chemical vapor deposition strategy to prepare highly porous graphene with flake-like MgO as template and ferrocene as the carbon precursor. The graphene layers show a highly porous structure with small mesopores of 4-8 nm, large mesopores of 10-20 nm and additional macropores of 100-200 nm. These nanopores on graphene sheets provide numerous channels for fast ion transport perpendicular to the 2D basal plane, while the good powder conductivity ensures an effective electron propagation within the 2D graphene plane. As a result, a specific capacitance of 303 F g-1, an areal capacitance up to 17.3 μF cm-2 and a nearly tenfold shorter time

  17. Properties of MgO to 1.2 TPa from high-precision experiments on Sandia's Z machine and first-principles simulations using QMC and DFT

    NASA Astrophysics Data System (ADS)

    Shulenburger, Luke

    2015-11-01

    MgO is a major constituent of Earth's mantle, the rocky cores of gas giants and is a likely component of the interiors of many exoplanets. The high pressure - high temperature behavior of MgO directly affects equation of state models for planetary structure and formation. In this work, we examine MgO under extreme conditions using experimental and theoretical methods to determine the phase diagram and transport properties. Using plate impact experiments on Sandia's Z facility a low entropy solid-solid phase transition from B1 to B2 is clearly determined. The melting transition, on the other hand, is subtle, involving little to no signal in us-up space. Theoretical work utilizing density functional theory (DFT) provides a complementary picture of the phase diagram. The solid-solid phase transition is identified through a series of quasi-harmonic phonon calculations and thermodynamic integration, while the melt boundary is found using phase coexistence calculations. The calculation of reflectivity along the Hugoniot and the influence of the ionic structure on the transport properties requires particular care because of the underestimation of the band gap and attendant overestimation of transport properties due to the use of semi-local density functional theory. We will explore the impact of this theoretical challenge and its potential solutions in this talk. Finally, understanding the behavior of MgO as the pressure releases from the Hugoniot state is a key ingredient to modeling giant impact events. We explore this regime both through additional DFT calculations and by observing the release state of the MgO into lower impedance materials. The integrated use of DFT simulations and high-accuracy shock experiments together provide a comprehensive understanding of MgO under extreme conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U

  18. Thermodynamic simulation on mineralogical composition of CaO-SiO2-Al2O3-MgO quaternary slag system.

    PubMed

    Liu, Chao; Zhang, Yu-Zhu; Li, Jie; Li, Jun-Guo; Kang, Yue

    2016-01-01

    It is necessary to elucidate the crystallization thermodynamic of mineralogical phases during the cooling process of the molten BFS with different chemical composition, because the high-melting point mineral phase maybe crystallized during the fiber forming and thereafter cooling process. Thermodynamic calculation software FactSage6.4 and the hot remelting experiments were performed to explore the influence of basicity, Al2O3 content and MgO content on the crystallization of mineralogical components and their transformation. The results showed that the main mineralography of the CaO-SiO2-Al2O3-MgO quaternary slag system was melilite, and a certain amount of anorthite and calcium metasilicate. The crystallographic temperature of melilite is increased with the increasing of basicity, MgO and Al2O3 content, which has a significant impact on the utilization performance of the mineral wool prepared with the hot blast furnace slag directly. With the increasing of basicity, there was a tendency that crystallographic amount of melilite increased to the summit and then declined, while the amount of anorthite and calcium metasilicate decreased consistently. Finally, these two mineralogical components could be replaced by magnesium rhodonite and spinel with the increasing of basicity. When the basicity and MgO content were 1.0 and 9 %, the crystallographic mass ratio of melilite and anorthite increased, while that of calcium silicate declined, and replaced by spinel finally with the increasing of Al2O3 content. When the basicity and Al2O3 content were 1.0 and 13 %, the crystallographic mass ratio of melilite increased, while that of anorthite and calcium silicate declined, and replaced by pyroxene and spinel with the increasing of MgO content. To decline fiberization temperature of the melt BFS, the basicity, MgO and Al2O3 content should be decreased during the modification process of chemical composition, because the crystallization temperature of the primary crystalline

  19. Influence of growth and annealing conditions on low-frequency magnetic 1/f noise in MgO magnetic tunnel junctions

    SciTech Connect

    Feng Jiafeng; Diao Zhu; Kurt, Huseyin; Singh, A.; Coey, J. M. D.; Stearrett, Ryan; Nowak, Edmund R.

    2012-11-01

    Magnetic 1/f noise is compared in magnetic tunnel junctions with electron-beam evaporated and sputtered MgO tunnel barriers in the annealing temperature range 350 - 425 Degree-Sign C. The variation of the magnetic noise parameter ({alpha}{sub mag}) of the reference layer with annealing temperature mainly reflects the variation of the pinning effect of the exchange-bias layer. A reduction in {alpha}{sub mag} with bias is associated with the bias dependence of the tunneling magnetoresistance. The related magnetic losses are parameterized by a phase lag {epsilon}, which is nearly independent of bias especially below 100 mV. The similar changes in magnetic noise with annealing temperature and barrier thickness for two types of MgO magnetic tunnel junctions indicate that the barrier layer quality does not affect the magnetic losses in the reference layer.

  20. The Effect of TiO2 and MgO on the Thermoluminescence Properties of a Lithium Potassium Borate Glass System

    NASA Astrophysics Data System (ADS)

    Alajerami, Y. S. M.; Hashim, S.; Ghoshal, S. K.; Saleh, M. A.; Kadni, T.; Saripan, M. I.; Alzimami, K.; Ibrahim, Z.; Bradley, D. A.

    2013-12-01

    The influence of dopant TiO2 and co-dopant MgO on the thermoluminescence (TL) properties of lithium potassium borate glass (LKB) is reported in this paper. The glow curve exhibits a prominent peak (Tm) at 230 °C. The TL intensity was enhanced by a factor of ~3 due to the incorporation of MgO, and this was attributed to the creation of extra electron traps mediated by radiative recombination energy transfer. We achieved good linearity of the TL yield with dose, low fading, excellent reproducibility and a promising effective atomic number (Zeff=8.89), all of which are highly suitable for dosimetry. The effect of heating rate, sunlight and dose rate on the TL are also examined. These attractive features demonstrate that our dosimeter is useful in medical radiation therapy.

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

    NASA Technical Reports Server (NTRS)

    Zaplatynsky, Isidor

    1988-01-01

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

  2. Growth and Characterization of Epitaxial FexPt100-xFilms on MgO(111)

    SciTech Connect

    Mani, P.; Krishnamurthy, V. V.; Maat, S.; Kellock, A. J.; Robertson, Lee; Mankey, G. J.

    2005-01-01

    Fe{sub x}Pt{sub 100-x} films were grown on MgO(111) by co-sputtering Fe and Pt. Composition of the films was determined by Rutherford backscattering spectrometry with an accuracy of 1%. Epitaxy and alloy ordering were quantified by x-ray diffraction and the order parameter was determined to be 0.97 for a film with x = 30 and 0.99 for a film with x = 25. Neutron diffraction measurements established the presence of an antiferromagnetic phase at T = 100 K in 500 nm FePt{sub 3} samples grown on MgO(111). Since FePt{sub 3} can be grown as an ordered antiferromagnet and a disordered ferromagnet, these films provide a pathway to grow lattice matched interfaces for exchange bias studies.

  3. Accumulation and Decay Characteristics of Exoelectron Sources at MgO Protective Layer Surface in Alternating-Current Plasma Display Panels

    NASA Astrophysics Data System (ADS)

    Yoshino, Kyohei; Nagatomi, Takaharu; Morita, Yukihiro; Oue, Toshiyasu; Kosugi, Naoki; Nishitani, Mikihiko; Kitagawa, Masatoshi; Takai, Yoshizo

    2010-08-01

    The accumulation and decay characteristics of exoelectron sources at a MgO protective layer surface in alternating-current plasma display panels (AC-PDPs) were investigated. The positively charged MgO surface provides a larger number of exoelectrons than the negatively charged surface, indicating that electrons trapped in shallow carrier traps coexist with trapped holes, and exoelectrons are emitted through Auger and/or photoionization processes after their recombination. The exoelectron sources are accumulated by sustain discharges and always decay. The half-life of the decay of the exoelectron sources is relatively long, of the order of a few tens of ms, confirming that the exoelectron emission property at the address discharge in a certain television (TV) field is strongly affected by sustain firings in the previous two TV fields or more. The effects of such a long-term decay of the exoelectron sources should be taken into consideration when designing the driving waveforms of AC-PDPs.

  4. Spincaloric properties of epitaxial Co2MnSi /MgO /Co2MnSi magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Geisler, Benjamin; Kratzer, Peter

    2015-10-01

    The electronic transport and spincaloric properties of epitaxial magnetic tunnel junctions with half-metallic Co2MnSi Heusler electrodes, MgO tunneling barriers, and different interface terminations are investigated by using first-principles calculations. An approach to spincaloric properties is presented that circumvents the linear response approximation inherent in the Seebeck coefficient and compared to the method of Sivan and Imry. This approach supports two different temperatures in the two electrodes and provides the exact current and/or voltage response of the system. Moreover, it accounts for temperature-dependent chemical potentials in the electrodes and finite-bias effects. We find that especially the former are important for obtaining qualitatively correct results, even if the variations of the chemical potentials are small. It is shown how the spincaloric properties can be tailored by the choice of the growth conditions. We find a large effective and spin-dependent Seebeck coefficient of -65 μ V /K at room temperature for the purely Co-terminated interface. We suggest to use such interfaces in thermally operated magnetoresistive random access memory modules, which exploit the magneto-Seebeck effect, to maximize the thermally induced readout voltage.

  5. Organic linkers on oxide surfaces: Adsorption and chemical bonding of phthalic anhydride on MgO(100)

    NASA Astrophysics Data System (ADS)

    Mohr, Susanne; Doepper, Tibor; Xu, Tao; Tariq, Quratulain; Lytken, Ole; Laurin, Mathias; Steinrueck, Hans-Peter; Goerling, Andreas; Libuda, Joerg

    2016-04-01

    To elucidate the adsorption behavior and interaction mechanisms of organic linker units on oxide surfaces, we have performed a model study under ultrahigh vacuum (UHV) conditions. We apply infrared reflection absorption spectroscopy (IRAS) in combination with density-functional theory (DFT), temperature programmed desorption (TPD), and X-ray photoelectron spectroscopy (XPS). Phthalic anhydride (PAA) was deposited at temperatures between 100 and 300 K by physical vapor deposition (PVD) onto an ordered MgO(100) film grown on Ag(100). At 100 K, the first monolayer adsorbs molecularly with the molecular plane aligned parallel to the surface. Subsequent growth of a multilayer film at low temperature also occurs with preferential molecular alignment parallel to the surface. At 240 K, the multilayer desorbs without decomposition. At 300 K, a mixed monolayer of chemically modified ring-opened and intact phthalic anhydride exists on the surface. The chemically modified species binds in a strongly tilted geometry via opening of the anhydride ring to form a bis-carboxylate species. This species additionally stabilizes the coadsorbed molecular PAA via intermolecular interactions. Finally, surface defects and hydroxyl groups are found to increase the amount of surface bis-carboxylate at 300 K, whereas the relative amount of coadsorbed molecular PAA decreases.

  6. Dielectric behavior of ternary composites of epoxy/BaTiO{3}/(CuO or MgO)

    NASA Astrophysics Data System (ADS)

    Benhamouda, A.; Forniés-Marquina, J. M.; Bouzit, N.; Bourouba, N.

    2009-05-01

    The work we present in this article is an investigation of the optimal dielectric behaviour of a ternary composite based on a mixture of epoxy resin, titanates and oxides. Titanates are known by their capacity to provide high dielectric constant values that make their use very important in system of telecommunication, transmission microwaves, and in integrated circuit technology. A comparative study is established on two types of oxides added to titanates of either calcium, barium, or magnesium following different proportions. The protocol used to characterise different mixtures is the Time Domain Reflectometry (TDR). The acquired results show a good concordance between the experimental values of the ternary mixture dielectric constant and the theoretical models deduced from the Lichtenecker modified law. The copper oxide (CuO) is revealed to be more influential than the magnesium oxide (MgO) on the added titanate because of an insignificant dielectric behaviour that the latter presents. On the other hand, the linear behaviour of \\varepsilons appeared with a CuO concentration round about 15% in a RE.BT.CuO mixture. For a fixed barium titanate fraction (27%) this linear evolution is located between the upper and the lower limits derivative from direct and inverse Wiener laws.

  7. Electronic Structure and Phase Stability of MgO, ZnO, CdO, and Related Ternary Alloys

    SciTech Connect

    Zhu, Y. Z.; Chen, G. D.; Ye, H.; Walsh, A.; Moon, C. Y.; Wei, S. H.

    2008-01-01

    The electronic structure and phase stability of MgO, ZnO, CdO, and related alloys in the rocksalt (B1), zincblende (B3), and wurtzite (B4) crystal structures were examined within first-principles band structure theory; the thermodynamically stable phases are reproduced for each material. The band alignment and band-gap deformation potentials were analyzed, showing an increase in the valence band maximum from Mg to Zn to Cd. Ternary alloy formation was explored through application of the special quasirandom structure method. The B1 structure is stable over all (Mg,Cd)O compositions, as expected from the preferences of the binary oxides. The (Mg,Zn)O alloy undergoes a tetrahedral to octahedral transition above 34% Mg content, in agreement with experiment. For (Zn,Cd)O, a transition is predicted above 62% Cd content. These results imply that band-gap manipulation of ZnO from alloying with Mg (Cd) will be limited to 4.0 eV (1.6 eV), while preserving the tetrahedral coordination of the host.

  8. Growth mechanisms of MgO nanocrystals via a sol-gel synthesis using different complexing agents

    PubMed Central

    2014-01-01

    In the preparation of nanostructured materials, it is important to optimize synthesis parameters in order to obtain the desired material. This work investigates the role of complexing agents, oxalic acid and tartaric acid, in the production of MgO nanocrystals. Results from simultaneous thermogravimetric analysis (STA) show that the two different synthesis routes yield precursors with different thermal profiles. It is found that the thermal profiles of the precursors can reveal the effects of crystal growth during thermal annealing. X-ray diffraction confirms that the final products are pure, single phase and of cubic shape. It is also found that complexing agents can affect the rate of crystal growth. The structures of the oxalic acid and tartaric acid as well as the complexation sites play very important roles in the formation of the nanocrystals. The complexing agents influence the rate of growth which affects the final crystallite size of the materials. Surprisingly, it is also found that oxalic acid and tartaric acid act as surfactants inhibiting crystal growth even at a high temperature of 950°C and a long annealing time of 36 h. The crystallite formation routes are proposed to be via linear and branched polymer networks due to the different structures of the complexing agents. PMID:24650322

  9. Thermodynamic, Modeling and Neutron Investigations of Cycloalkanes Adsorbed on MgO (100) and Graphite Basal Plane

    NASA Astrophysics Data System (ADS)

    Wahida, Fatema; Strange, Nicholas; Larese, John Z.

    Understanding the adsorption of molecules on solid surfaces is central to many scientific and technological challenges. Solid surfaces such as metal oxides, carbonaceous archetypes, porous silica, and metal organic frameworks currently represent significant components of nanomaterial research because of their widespread use in optoelectronics, separation chemistry, and catalysis. Understanding the interaction between adsorbed molecules and surfaces is a necessity for developing synthetic methods to produce materials with specific functional properties. An investigation of the effects of molecular and adsorbate symmetry is proposed in this study. The principal aim of this work is to identify the role of surface and molecular symmetry on the physicochemical properties of 2D layers of cyclic molecules adsorbed on metal oxide and semiconductor substrates. Initially our characterization will focus on the thermodynamic and microscopic structure and dynamics of cyclopentane and cyclohexane on the MgO (100) surface and graphite basal plane. In order to realize this goal adsorption isotherms, inelastic neutron scattering (INS) and molecular dynamics (MD) simulation studies will be performed to investigate the structure, dynamics and wetting properties.

  10. Physical properties of quasi-one-dimensional MgO and Fe3O4-based nanostructures

    NASA Astrophysics Data System (ADS)

    Mejía-López, J.; Mazo-Zuluaga, J.; López-Moreno, S.; Muñoz, F.; Duque, L. F.; Romero, A. H.

    2014-07-01

    We have studied the properties of several representative one-dimensional structures—MgO nanowires, Fe3O4 hollow nanotubes, Fe3O4 nanowires, and MgO/Fe3O4 core/shell nanotubes—by means of first-principles-based calculations. Each of these nanostructures reveals different electronic properties with novel electronic states due to the large surface/interface of the nanocylinders. Electronic states of the Fe3O4 nanowire are localized around small clusters of atoms, and its bands appear with almost no energy dispersion. Localization is not a direct consequence of structural disorder; instead, it seems to be induced by an enhanced charge transfer due to the undercoordination on the surface. The combined effect of the MgO/Fe3O4 nanostructure shows that the MgO is well coated and even bulk-like states can be observed. However, the magnetite suffers important atomic reconstructions losing symmetries and increasing its atomic-like behavior. Effects of axial deformations on the properties and the relation of the results to potential technological applications are discussed.

  11. Structure and diffusion of small Ag and Au clusters on the regular MgO (100) surface

    NASA Astrophysics Data System (ADS)

    Barcaro, G.; Fortunelli, A.

    2007-02-01

    The lowest energy structures and the diffusion energy barriers of small MN (N = 1 4) Ag and Au clusters absorbed on the regular MgO (100) surface are investigated via density-functional (DF) calculations, using two different xc-functionals (PBE and LDA). In agreement with previous work, it is found that the lowest-energy structures of Ag and Au clusters in this size-range exhibit a strong 'metal-on-top' effect, by which the clusters are absorbed atop oxygen ions in a linear (dimer) or planar (trimer and tetramer) configuration perpendicular to the surface. The corresponding diffusion mechanisms range from monomer hopping, to dimer leapfrog (Ag2) or hopping (Au2), trimer walking, tetramer walking (Ag4) or rocking and rolling (Au4), exhibiting interesting differences between Ag and Au. An analysis of the corresponding energy barriers shows that trimers can diffuse at least as fast as monomers, while tetramers and (especially in the case of gold) dimers present somewhat higher barriers, but are anyway expected to be mobile on the surface at the temperatures of molecular beam epitaxy (MBE) experiments. The calculated PBE diffusion energy barriers compare reasonably well with the values extracted from the analysis of recent MBE experimental data, with the LDA predicting slightly higher barriers in the case of gold.

  12. Underlayer Effect on Perpendicular Magnetic Anisotropy in Co20Fe60B20\\MgO Films

    PubMed Central

    Chen, P.J.; Iunin, Y.L.; Cheng, S.F.; Shull, R.D.

    2016-01-01

    Perpendicular Magnetic Tunneling Junctions (pMTJs) with Ta\\CoFeB\\MgO have been extensively studied in recent years. However, the effects of the underlayer on the formation of the CoFeB perpendicular magnetic anisotropy (PMA) are still not well understood. Here we report the results of our systematic use of a wide range of elements (Ti, V, Cr, Zr, Nb, Mo, Ru, Rh, Pd, Ag, Hf, Ta, W, Re, Os, Ir, Pt and Au) encompassed by columns IVA, VA, VIA, VIIA and VIIIA of the periodic table as the underlayer in a underlayer\\Co20Fe60B20\\MgO stack. Our goals were to survey more elements which could conceivably create a PMA in CoFeB and thereby to explore the mechanisms enabling these underlayers to enhance or create the PMA. We found underlayer elements having both an outer shell of 4d electrons (Zr, Nb Mo, and Pd) and 5d electrons (Hf, Ta, W, Re, Ir, and Pt) resulted in the development of a PMA in the MgO-capped Co20Fe60B20. Hybridization between the 3d electrons of the Fe or Co (in the Co20Fe60B20) at the interface with the 4d or 5d electrons of the underlayer is thought to be the cause of the PMA development. PMID:27499549

  13. Localized states in advanced dielectrics from the vantage of spin- and symmetry-polarized tunnelling across MgO.

    PubMed

    Schleicher, F; Halisdemir, U; Lacour, D; Gallart, M; Boukari, S; Schmerber, G; Davesne, V; Panissod, P; Halley, D; Majjad, H; Henry, Y; Leconte, B; Boulard, A; Spor, D; Beyer, N; Kieber, C; Sternitzky, E; Cregut, O; Ziegler, M; Montaigne, F; Beaurepaire, E; Gilliot, P; Hehn, M; Bowen, M

    2014-01-01

    Research on advanced materials such as multiferroic perovskites underscores promising applications, yet studies on these materials rarely address the impact of defects on the nominally expected materials property. Here, we revisit the comparatively simple oxide MgO as the model material system for spin-polarized solid-state tunnelling studies. We present a defect-mediated tunnelling potential landscape of localized states owing to explicitly identified defect species, against which we examine the bias and temperature dependence of magnetotransport. By mixing symmetry-resolved transport channels, a localized state may alter the effective barrier height for symmetry-resolved charge carriers, such that tunnelling magnetoresistance decreases most with increasing temperature when that state is addressed electrically. Thermal excitation promotes an occupancy switchover from the ground to the excited state of a defect, which impacts these magnetotransport characteristics. We thus resolve contradictions between experiment and theory in this otherwise canonical spintronics system, and propose a new perspective on defects in dielectrics. PMID:25088937

  14. Structural and magnetic properties of MnPd/Fe grown on MgO(100) substrate: Ab initio studies

    NASA Astrophysics Data System (ADS)

    Malonda-Boungou, B. R.; Magnoungou, J. H. J.; M'Passi-Mabiala, B.; Demangeat, C.

    2016-07-01

    Structural and magnetic properties of ultrathin films MnPd/Fe grown on MgO(001) are investigated using a self-consistent pseudopotential plane waves method based on density functional theory in the Perdew-Burke-Ernzerhof generalized gradient approximation. The results obtained reveal the presence of an antiferromagnetic coupling between successive Mn [100] rows, combined with a ripple where Mn outward atoms exhibit a positive magnetic moment, in the case of Mn overlayer on Fe/MgO(001). In the case of MnPd monolayer ordered alloy, the c(2 × 2) structure formation is more favorable than the p(1 × 2) one, exhibiting a ferromagnetic coupling between Mn neighbor atoms with a positive induced ferromagnetic moment on Pd atoms. Pd atoms are pushed outward. For 1-ML MnxPd1 - x on Fe/MgO, the Mn absolute mean magnetization per atom increases as x coverage increases, whereas the Pd mean induced magnetic moment decreases. For systems alternating Mn and Pd monolayers on Fe/MgO(001), a complex magnetic structure is shown on Mn monolayers: changing from Mn neighboring antiferromagnetic coupling to Mn [010] rows antiferromagnetic behavior. The correlation is made between the electronic structure and the magnetic properties, by comparing filled with partially filled components (Pd, Mn and Fe) d-bands. The magnetization easy-axis changes between the in-plane and the out-of-plane orientations from Fe/MgO to MnPd/Fe/MgO systems.

  15. Production of carbon nanotubes: Chemical vapor deposition synthesis from liquefied petroleum gas over Fe-Co-Mo tri-metallic catalyst supported on MgO

    NASA Astrophysics Data System (ADS)

    Setyopratomo, P.; Wulan, Praswasti P. D. K.; Sudibandriyo, M.

    2016-06-01

    Carbon nanotubes were produced by chemical vapor deposition method to meet the specifications for hydrogen storage. So far, the various catalyst had been studied outlining their activities, performances, and efficiencies. In this work, tri-metallic catalyst consist of Fe-Co-Mo supported on MgO was used. The catalyst was prepared by wet-impregnation method. Liquefied Petroleum Gas (LPG) was used as carbon source. The synthesis was conducted in atmospheric fixed bed reactor at reaction temperature range 750 - 850 °C for 30 minutes. The impregnation method applied in this study successfully deposed metal component on the MgO support surface. It found that the deposited metal components might partially replace Mg(OH)2 or MgO molecules in their crystal lattice. Compare to the original MgO powder; it was significant increases in pore volume and surface area has occurred during catalyst preparation stages. The size of obtained carbon nanotubes is ranging from about 10.83 nm OD/4.09 nm ID up to 21.84 nm OD/6.51 nm ID, which means that multiwall carbon nanotubes were formed during the synthesis. Yield as much as 2.35 g.CNT/g.catalyst was obtained during 30 minutes synthesis and correspond to carbon nanotubes growth rate of 0.2 μm/min. The BET surface area of the obtained carbon nanotubes is 181.13 m2/g and around 50 % of which is contributed by mesopores. Micropore with half pore width less than 1 nm contribute about 10% volume of total micro and mesopores volume of the carbon nanotubes. The existence of these micropores is very important to increase the hydrogen storage capacity of the carbon nanotubes.

  16. Study on the water durability of zinc boro-phosphate glasses doped with MgO, Fe2O3, and TiO2

    NASA Astrophysics Data System (ADS)

    Hwang, Moon Kyung; Ryu, Bong Ki

    2016-07-01

    The water durability of zinc boro-phosphate (PZB) glasses with the composition 60P2O5-20ZnO-20B2O3- xMeO ( x = 0, 2, 4, 6 and MeO = MgO, Fe2O3, or TiO2) (mol%) was measured, and PZB glass was studied in terms of its thermal properties, density, and FTIR characteristics. The surface conditions and corrosion byproducts were analyzed using scanning electron microscopy. When MgO, Fe2O3, and TiO2 were doped into the PZB glass, Q2 was decreased and Q1 was increased in the phosphate structure, while the number of BO4 structures increased with increasing MeO content. The density of the PZB glass was increased by the addition of Fe2O3 and TiO2, while the glass transition temperature ( T g ) and dilatometric softening temperature ( T d ) were increased when additional MgO, Fe2O3, and TiO2 were added. From the weight loss analysis (95 ◦ C, 96 h), TiO2 doped glass showed the lowest weight loss (1.70 × 10 -3 g/cm2) while MgO doped glass showed the highest value (2.44 × 10 -3 g/cm2), compared with PZB glass (3.07 × 10 -3 g/cm2). These results were discussed in terms of the Me n+ ions in the glass structure, and their different coordination numbers and bonding strengths.

  17. Desulfurization behavior of iron-based sorbent with MgO and TiO{sub 2} additive in hot coal gas

    SciTech Connect

    Weiren Bao; Zong-you Zhang; Xiu-rong Ren; Fan Li; Li-ping Chang

    2009-07-15

    The sulfidation behaviors of iron-based sorbent with MgO and MgO-TiO{sub 2} are studied under different isothermal conditions from 623 to 873 K in a fixed bed reactor. The results of sorbents sulfidation experiments indicate that the sorbents with MgO and TiO{sub 2} additives are more attractive than those without additives for desulfurization of hot coal gas. The sulfur capacity (16.17, 18.45, and 19.68 g S/100 g sorbent) of M1F, M3F, and M5F sorbent containing 1, 3, and 5% MgO, respectively, is obviously bigger than that (15.02 g S/100 g sorbent) of M0F without additive. The feasible sulfidation temperature range for M3F sorbent is 773-873 K. The M3F sorbent is optimally regenerated at the temperature of 873 K, under the gas containing 2% oxygen, 15% steam and N{sub 2}, in the space velocity of 2500 h{sup -1}. The sorbent regenerated is also well performed in the second sulfidation (the effective sulfur capacities of 17.98 g S/100 g sorbents and the efficiency of removal sulfur of 99%). The capacity to remove sulfur decreases with steam content increasing in feeding gas from 0 to 10%, but it can restrain the formation of carbon and iron carbide. The addition of TiO{sub 2} in sorbent can shift the optimal sulfidation temperature lower. The iron-based sorbent with 3% MgO and 10% TiO{sub 2} (MFT) is active to the deep removal of H{sub 2}S and COS, especially in the temperature range of 673-723 K. The sulfur removal capacity of MFT sorbent is 21.60 g S/100 g sorbent. 16 refs., 12 figs., 8 tabs.

  18. Biological and mechanical properties of an experimental glass-ionomer cement modified by partial replacement of CaO with MgO or ZnO.

    PubMed

    Kim, Dong-Ae; Abo-Mosallam, Hany; Lee, Hye-Young; Lee, Jung-Hwan; Kim, Hae-Won; Lee, Hae-Hyoung

    2015-01-01

    Some weaknesses of conventional glass ionomer cement (GIC) as dental materials, for instance the lack of bioactive potential and poor mechanical properties, remain unsolved.Objective The purpose of this study was to investigate the effects of the partial replacement of CaO with MgO or ZnO on the mechanical and biological properties of the experimental glass ionomer cements.Material and Methods Calcium fluoro-alumino-silicate glass was prepared for an experimental glass ionomer cement by melt quenching technique. The glass composition was modified by partial replacement (10 mol%) of CaO with MgO or ZnO. Net setting time, compressive and flexural properties, and in vitrorat dental pulp stem cells (rDPSCs) viability were examined for the prepared GICs and compared to a commercial GIC.Results The experimental GICs set more slowly than the commercial product, but their extended setting times are still within the maximum limit (8 min) specified in ISO 9917-1. Compressive strength of the experimental GIC was not increased by the partial substitution of CaO with either MgO or ZnO, but was comparable to the commercial control. For flexural properties, although there was no significance between the base and the modified glass, all prepared GICs marked a statistically higher flexural strength (p<0.05) and comparable modulus to control. The modified cements showed increased cell viability for rDPSCs.Conclusions The experimental GICs modified with MgO or ZnO can be considered bioactive dental materials. PMID:26398508

  19. Biological and mechanical properties of an experimental glass-ionomer cement modified by partial replacement of CaO with MgO or ZnO.

    PubMed

    Kim, Dong-Ae; Abo-Mosallam, Hany; Lee, Hye-Young; Lee, Jung-Hwan; Kim, Hae-Won; Lee, Hae-Hyoung

    2015-01-01

    Some weaknesses of conventional glass ionomer cement (GIC) as dental materials, for instance the lack of bioactive potential and poor mechanical properties, remain unsolved.Objective The purpose of this study was to investigate the effects of the partial replacement of CaO with MgO or ZnO on the mechanical and biological properties of the experimental glass ionomer cements.Material and Methods Calcium fluoro-alumino-silicate glass was prepared for an experimental glass ionomer cement by melt quenching technique. The glass composition was modified by partial replacement (10 mol%) of CaO with MgO or ZnO. Net setting time, compressive and flexural properties, and in vitrorat dental pulp stem cells (rDPSCs) viability were examined for the prepared GICs and compared to a commercial GIC.Results The experimental GICs set more slowly than the commercial product, but their extended setting times are still within the maximum limit (8 min) specified in ISO 9917-1. Compressive strength of the experimental GIC was not increased by the partial substitution of CaO with either MgO or ZnO, but was comparable to the commercial control. For flexural properties, although there was no significance between the base and the modified glass, all prepared GICs marked a statistically higher flexural strength (p<0.05) and comparable modulus to control. The modified cements showed increased cell viability for rDPSCs.Conclusions The experimental GICs modified with MgO or ZnO can be considered bioactive dental materials.

  20. Growth and microstructure of columnar Y-doped SrZrO{sub 3} films deposited on Pt-coated MgO by pulsed laser deposition

    SciTech Connect

    Luo, Sijun Riggs, Brian C.; Shipman, Joshua T.; Adireddy, Shiva; Sklare, Samuel C.; Chrisey, Douglas B.; Zhang, Xiaodong; Koplitz, Brent

    2015-07-21

    Direct integration of proton conductor films on Pt-coated substrates opens the way to film-based proton transport devices. Columnar SrZr{sub 0.95}Y{sub 0.05}O{sub 3−δ} (SZY) films with dense microstructure were deposited on Pt-coated MgO(100) substrates at 830 °C by pulsed laser deposition. The optimal window of ambient O{sub 2} pressure for good crystallinity of SZY films is from 400 to 600 mTorr. The ambient O{sub 2} compresses the plasma plume of SZY and increases the deposition rate. The 10 nm thick Ti adhesion layer on MgO(100) greatly affects the orientation of the sputtered Pt layers. Pt deposited directly on MgO shows a highly (111)-preferred orientation and leads to preferentially oriented SZY films while the addition of a Ti adhesion layer makes Pt show a less preferential orientation that leads to randomly oriented SZY films. The RMS surface roughness of preferentially oriented SZY films is larger than that of randomly oriented SZY films deposited under the same ambient O{sub 2} pressure. As the O{sub 2} pressure increased, the RMS surface roughness of preferentially oriented SZY films increased, reaching 45.7 nm (2.61% of film thickness) at 600 mTorr. This study revealed the ambient O{sub 2} pressure and orientation dependent surface roughness of SZY films grown on Pt-coated MgO substrates, which provides the potential to control the surface microstructure of SZY films for electrochemical applications in film-based hydrogen devices.

  1. Thin film hydrogen sensor

    DOEpatents

    Cheng, Y.T.; Poli, A.A.; Meltser, M.A.

    1999-03-23

    A thin film hydrogen sensor includes a substantially flat ceramic substrate with first and second planar sides and a first substrate end opposite a second substrate end; a thin film temperature responsive resistor on the first planar side of the substrate proximate to the first substrate end; a thin film hydrogen responsive metal resistor on the first planar side of the substrate proximate to the fist substrate end and proximate to the temperature responsive resistor; and a heater on the second planar side of the substrate proximate to the first end. 5 figs.

  2. Premelting of thin wires

    NASA Astrophysics Data System (ADS)

    Gülseren, O.; Ercolessi, F.; Tosatti, E.

    1995-03-01

    We have investigated the melting behavior of thin lead wires using molecular dynamics. We find that-in analogy with cluster melting-the melting temperature Tm(R) of a wire with radius R is lower than that of a bulk solid Tbm by Tm(R)=Tbm-c/R. Surface melting effects, with formation of a thin skin of highly diffusive atoms at the wire surface, are observed. The diffusivity is lower over (111)-oriented faces, and higher at (110) and (100) rounded areas. The possible relevance to recent results on nonrupturing thin necks between a scanning tunnel microscope tip and a warm surface is addressed.

  3. Thin film hydrogen sensor

    DOEpatents

    Cheng, Yang-Tse; Poli, Andrea A.; Meltser, Mark Alexander

    1999-01-01

    A thin film hydrogen sensor, includes: a substantially flat ceramic substrate with first and second planar sides and a first substrate end opposite a second substrate end; a thin film temperature responsive resistor on the first planar side of the substrate proximate to the first substrate end; a thin film hydrogen responsive metal resistor on the first planar side of the substrate proximate to the fist substrate end and proximate to the temperature responsive resistor; and a heater on the second planar side of the substrate proximate to the first end.

  4. Electrochemical thinning of silicon

    DOEpatents

    Medernach, John W.

    1994-01-01

    Porous semiconducting material, e.g. silicon, is formed by electrochemical treatment of a specimen in hydrofluoric acid, using the specimen as anode. Before the treatment, the specimen can be masked. The porous material is then etched with a caustic solution or is oxidized, depending of the kind of structure desired, e.g. a thinned specimen, a specimen, a patterned thinned specimen, a specimen with insulated electrical conduits, and so on. Thinned silicon specimen can be subjected to tests, such as measurement of interstitial oxygen by Fourier transform infra-red spectroscopy (FTIR).

  5. Electrochemical thinning of silicon

    DOEpatents

    Medernach, J.W.

    1994-01-11

    Porous semiconducting material, e.g. silicon, is formed by electrochemical treatment of a specimen in hydrofluoric acid, using the specimen as anode. Before the treatment, the specimen can be masked. The porous material is then etched with a caustic solution or is oxidized, depending of the kind of structure desired, e.g. a thinned specimen, a specimen, a patterned thinned specimen, a specimen with insulated electrical conduits, and so on. Thinned silicon specimen can be subjected to tests, such as measurement of interstitial oxygen by Fourier transform infra-red spectroscopy (FTIR). 14 figures.

  6. Biomimetic thin film synthesis

    SciTech Connect

    Graff, G.L.; Campbell, A.A.; Gordon, N.R.

    1995-05-01

    The purpose of this program is to develop a new process for forming thin film coatings and to demonstrate that the biomimetic thin film technology developed at PNL is useful for industrial applications. In the biomimetic process, mineral deposition from aqueous solution is controlled by organic functional groups attached to the underlying substrate surface. The coatings process is simple, benign, inexpensive, energy efficient, and particularly suited for temperature sensitive substrate materials (such as polymers). In addition, biomimetic thin films can be deposited uniformly on complex shaped and porous substrates providing a unique capability over more traditional line-of-sight methods.

  7. Phosphate Capacities of CaF2-MgO and CaF2-CaO-MgO Slags

    NASA Astrophysics Data System (ADS)

    Akbari, F.; Pickles, C. A.

    2015-02-01

    Previously published sulphide capacity data and thermodynamic arguments have been employed to calculate the phosphate capacities and the phosphorus partition ratios between a molten carbon saturated iron alloy and binary CaF2-MgO slags and also ternary CaF2 -CaO-MgO slags at 1450 °C. For the CaF2-MgO binary system, a linear relationship was found between the phosphate and the sulphide capacities as follows: log ? = 1.2 log Cs + 25.2. For the ternary CaF2-CaO-MgO system at 1450 °C, the logarithm of the calculated phosphate capacities ranged from 19.47 to 20.15. With the addition of CaO, the phosphate capacities initially increased, reached a maximum and then decreased slightly. The addition of MgO to the CaF2-CaO system resulted in a decrease in the phosphate capacity. The calculated phosphorus partition ratios increased slightly with increasing mole fraction of CaO in the ternary system.

  8. Magnetic tunnel junctions for magnetic field sensor by using CoFeB sensing layer capped with MgO film

    SciTech Connect

    Takenaga, Takashi Tsuzaki, Yosuke; Yoshida, Chikako; Yamazaki, Yuichi; Hatada, Akiyoshi; Nakabayashi, Masaaki; Iba, Yoshihisa; Takahashi, Atsushi; Noshiro, Hideyuki; Tsunoda, Koji; Aoki, Masaki; Furukawa, Taisuke; Fukumoto, Hiroshi; Sugii, Toshihiro

    2014-05-07

    We evaluated MgO-based magnetic tunnel junctions (MTJs) for magnetic field sensors with spin-valve-type structures in the CoFeB sensing layer capped by an MgO film in order to obtain both top and bottom interfaces of MgO/CoFeB exhibiting interfacial perpendicular magnetic anisotropy (PMA). Hysteresis of the CoFeB sensing layer in these MTJs annealed at 275 °C was suppressed at a thickness of the sensing layer below 1.2 nm by interfacial PMA. We confirmed that the CoFeB sensing layers capped with MgO suppress the thickness dependences of both the magnetoresistance ratio and the magnetic behaviors of the CoFeB sensing layer more than that of the MTJ with a Ta capping layer. MgO-based MTJs with MgO capping layers can improve the controllability of the characteristics for magnetic field sensors.

  9. Electric-field-induced optical path length change in LiNbO3:MgO crystals: spatial anisotropy analysis.

    PubMed

    Andrushchak, Anatoliy S; Yurkevych, Oleh V; Strychalyuk, Bogdan M; Klymash, Mykhailo M; Rusek, Andrzej; Kityk, Andriy V

    2013-06-01

    In this paper we describe the methodology behind the calculation of the indicative surfaces (ISs) of the electric-field-induced optical path length change (EFIOPC) in anisotropic crystal materials accounting for the piezoelectric deformation. It is considered in detail for a particular case of 3m point group symmetry and applied to LiNbO(3) single crystals doped with 7 mol. % MgO (hereafter LiNbO(3):MgO). The contribution of the inverse piezoelectricity into EFIOPC appears to be considerable and, in many cases, modifying, for instance, the spherical coordinates of the extreme directions or even leading to the appearance of new directional maxima on relevant ISs. The ISs of EFIOPC are of considerable practical importance as they allow us to determine an optimal geometry for electro-optic coupling. The spatial anisotropic analysis of EFIOPC in LiNbO(3):MgO crystals suggests that the lowest effective driving voltage is provided by electro-optic cells representing the rectangular slabs of X/50° crystal cut. The modulation efficiency of such electro-optic cells is about 1.5 times better than ones fabricated in the usual way (i.e., as rectangular crystal slabs with the faces parallel to the principal crystallographic directions). PMID:23736331

  10. Electronic excitations and defect creation in wide-gap MgO and Lu3Al5O12 crystals irradiated with swift heavy ions

    NASA Astrophysics Data System (ADS)

    Lushchik, A.; Kärner, T.; Lushchik, Ch.; Schwartz, K.; Savikhin, F.; Shablonin, E.; Shugai, A.; Vasil'chenko, E.

    2012-09-01

    A comparative study of radiation effects in two groups of single crystals with an energy gap of about 8 eV possessing drastically different lattice and electron energy structures - fcc MgO and Lu3Al5O12 with 160 atoms per a unit cell - has been performed using crystal irradiation with vacuum ultraviolet radiation, electrons, fast fission neutrons and, in particular, ˜2.2 GeV uranium ions. In MgO with the absence of self-trapping for valence holes, the localization of holes near impurity ions or bivacancies (both as-grown or induced by a plastic stress) has been detected. In LuAG, the peculiarities of the motion of hole polarons and excitons, the radius of which is smaller than the size of a unit cell, have been revealed and analysed. The irradiation of MgO and LuAG with swift heavy ions providing an extremely high density of electronic excitations causes also the nonimpact creation of long-lived Frenkel defects in an oxygen sublattice.

  11. Influence of slag chemistry on the hydration of alkali-activated blast-furnace slag - Part I: Effect of MgO

    SciTech Connect

    Ben Haha, M.; Lothenbach, B. Le Saout, G.; Winnefeld, F.

    2011-09-15

    The hydration and the microstructure of three alkali activated slags (AAS) with MgO contents between 8 and 13 wt.% are investigated. The slags were hydrated in the presence of two different alkaline activators, NaOH and Na{sub 2}SiO{sub 3}.5H{sub 2}O (WG). Higher MgO content of the slag resulted in a faster reaction and higher compressive strengths during the first days. The formation of C(- A)-S-H and of a hydrotalcite-like phase was observed in all samples by X-ray diffraction (XRD), thermal analysis (TGA) and scanning electron microscopy (SEM) techniques. Increasing the MgO content of the slag from 8 to 13% increased the amount of hydrotalcite and lowered the Al uptake by C-S-H resulting in 9% higher volume of the hydrates and a 50 to 80% increase of the compressive strength after 28 days and longer for WG activated slag pastes. For NaOH activated slags only a slight increase of the compressive strength was measured.

  12. First-principles calculations of surface energy and electronic structure of LiF, NaCl and MgO (100) surfaces

    SciTech Connect

    Guo, J.

    1993-06-01

    Surface energy and electronic structure of LiF, NaCl and MgO (100) surfaces were calculated using the self-consistent-field Discrete Variational (DV) embedded cluster method in the local density approximation (LDA). Clusters of 100--164 atoms embedded in the semi-infinite host lattices were used to achieve the desired convergence. The (100) surface energies of 0.75J/m{sup 2}, 0.47J/m{sup 2} and 1.53J/m{sup 2} calculated for LiF, NaCl, and MgO, respectively, were compared with experimental data and other theoretical values. The surface atoms of LiF and NaCl were found to maintain their bulk ionic characters. The effective charges of MgO surface atoms were found to differ from the bulk atoms. The surface charge density contours were plotted and their corrugation amplitudes were compared with the He-atom diffraction results. The surface partial density of states were compared with optical, photoemission, and electron energy loss spectroscopic results.

  13. Presence of lithium ions in MgO lattice: surface characterization by infrared spectroscopy and reactivity towards oxidative conversion of propane.

    PubMed

    Trionfetti, Cristiano; Babich, Igor V; Seshan, K; Lefferts, Leon

    2008-08-01

    The surface morphology of Li-promoted MgO catalysts prepared using the sol-gel method (sg) and wet impregnation procedure (imp), respectively, has been studied by low-temperature infrared spectroscopy of adsorbed CO molecules. The results show that step sites, as unselective catalytic centers, are the major features existing on the surface of pure MgO, and those are active toward the oxidative conversion of propane. However, the concentration of these sites is drastically reduced by the incorporation of lithium ions in the MgO lattice. In fact, the incorporated Li (+) ions tend to move into the surface region and occupy sites associated with lower coordination number (e.g., step sites). Li/MgO-sg catalysts are characterized by a higher concentration of incorporation of lithium compared to Li/MgO-imp. In the case of oxidative dehydrogenation/cracking of propane, Li/MgO-sg catalysts show higher activity and selectivity to olefins compared to materials prepared using wet impregnation. Catalytic performance differs strongly regarding (i) the amount of olefins formed, and (ii) the ratio of C(3)H(6)/C(2)H(4). It is shown that high density of active sites is essential for further oxidative dehydrogenation of propyl radicals to propylene and suppression of cracking reactions pathway.

  14. Periodate-assisted pulsed sonocatalysis of real textile wastewater in the presence of MgO nanoparticles: Response surface methodological optimization.

    PubMed

    Darvishi Cheshmeh Soltani, Reza; Safari, Mahdi

    2016-09-01

    The improvement of sonocatalytic treatment of real textile wastewater in the presence of MgO nanoparticles was the main goal of the present study. According to our preliminary results, the application of pulse mode of sonication, together with the addition of periodate ions, produced the greatest sonocatalytic activity and consequently, the highest chemical oxygen demand (COD) removal efficiency (73.95%) among all the assessed options. In the following, pulsed sonocatalysis of real textile wastewater in the presence of periodate ions was evaluated response surface methodologically on the basis of central composite design. Accordingly, a high correlation coefficient of 0.95 was attained for the applied statistical strategy to optimize the process. As results, a pulsed sonication time of 141min, MgO dosage of 2.4g/L, solution temperature of 314K and periodate concentration of 0.11M gave the maximum COD removal of about 85%. Under aforementioned operational conditions, the removal of total organic carbon (TOC) was obtained to be 63.34% with the reaction rate constant of 7.1×10(-3)min(-1) based on the pseudo-first order kinetic model (R(2)=0.99). Overall, periodate-assisted pulsed sonocatalysis over MgO nanoparticles can be applied as an efficient alternative process for treating and mineralizing real textile wastewater with good reusability potential.

  15. Electric field control of spin re-orientation in perpendicular magnetic tunnel junctions—CoFeB and MgO thickness dependence

    SciTech Connect

    Meng, Hao; Naik, Vinayak Bharat; Liu, Ruisheng; Han, Guchang

    2014-07-28

    We report an investigation of electric-field (EF) control of spin re-orientation as functions of the thicknesses of CoFeB free layer (FL) and MgO layer in synthetic-antiferromagnetic pinned magnetic tunnel junctions with perpendicular magnetic anisotropy. It is found that the EF modulates the coercivity (Hc) of the FL almost linearly for all FL thicknesses, while the EF efficiency, i.e., the slope of the linearity, increases as the FL thickness increases. This linear variation in Hc is also observed for larger MgO thicknesses (≥1.5 nm), while the EF efficiency increases only slightly from 370 to 410 Oe nm/V when MgO thickness increases from 1.5 to 1.76 nm. We have further observed the absence of quasi-DC unipolar switching. We discuss its origin and highlight the underlying challenges to implement the EF controlled switching in a practical magnetic memory.

  16. Radiation-induced electrical conductivity in MgO, Al2O3, and Gd3Ga5O12 single crystals

    NASA Astrophysics Data System (ADS)

    Ulmanis, Uldis

    1997-02-01

    The radiation-induced electrical conductivity (RIC) of single crystals MgO, Al2 O3 and Gd3Ga5O12 (GGG) has been measured during gamma-neutron irradiation at dose rates between 102 and 106 Gy/h and temperature from 20 to 400 degrees Celsius. The RIC for these crystals varied in a linear manner with dose rate in temperature region 60 - 300 degrees Celsius. The activation energy of conductivity before irradiation above 230 degrees Celsius is 1.4 eV for MgO, 0.75 eV for Al2O3 and 0.57 eV for GGG. The activation energy decrease during irradiation and at high dose rates (greater than 105 Gy/h) electrical conductivity does not depend on temperature. Single crystal MgO irradiation at 320 degrees Celsius and dose rate 500 kGy/h in electrical field 10 kV/m shows no noticeable radiation-induced electrical degradation (RIED).

  17. Structural defects analysis versus spin polarized tunneling in Co2FeAl/MgO/CoFe magnetic tunnel junctions with thick MgO barriers

    NASA Astrophysics Data System (ADS)

    Gabor, M. S.; Tiusan, C.; Petrisor, T.; Petrisor, T.; Hehn, M.; Lu, Y.; Snoeck, E.

    2013-12-01

    We report on spin polarization reduction by incoherent tunneling in single crystal Co2FeAl/MgO/Co50Fe50 magnetic tunnel junctions (MTJs). A large density of misfit dislocations in the Heusler based MTJs has been provided by a thick MgO barrier and its 3.8% lattice mismatch with the Co2FeAl electrode. Our analysis implicates a correlated structural-transport approach. The crystallographic coherence in the real space has been investigated by High Resolution Transmission Electron Microscopy phase analysis. The electronic transport experiments in variable temperature, fitted with a theoretical extended-Glazman-Matveev model, address different levels of the tunneling mechanisms from direct to multi-center hopping. We demonstrate a double impact of dislocations, as extended defects, on the tunneling polarization. Firstly, the breaking of the crystal symmetry destroys the longitudinal and lateral coherence of the propagating Bloch functions. This affects the symmetry filtering efficiency of the Δ1 states across the (001) MgO barriers and reduces the associated effective tunneling polarization. Secondly, dislocations provide localized states within the MgO gap. This determines temperature activated spin-conserving inelastic tunneling through chains of defects which are responsible for the one order of magnitude drop of the tunnel magnetoresistance from low to room temperature.

  18. Mesoporous carbon stabilized MgO nanoparticles synthesized by pyrolysis of MgCl2 preloaded waste biomass for highly efficient CO2 capture.

    PubMed

    Liu, Wu-Jun; Jiang, Hong; Tian, Ke; Ding, Yan-Wei; Yu, Han-Qing

    2013-08-20

    Anthropogenic CO2 emission makes significant contribution to global climate change and CO2 capture and storage is a currently a preferred technology to change the trajectory toward irreversible global warming. In this work, we reported a new strategy that the inexhaustible MgCl2 in seawater and the abundantly available biomass waste can be utilized to prepare mesoporous carbon stabilized MgO nanoparticles (mPC-MgO) for CO2 capture. The mPC-MgO showed excellent performance in the CO2 capture process with the maximum capacity of 5.45 mol kg(-1), much higher than many other MgO based CO2 trappers. The CO2 capture capacity of the mPC-MgO material kept almost unchanged in 19-run cyclic reuse, and can be regenerated at low temperature. The mechanism for the CO2 capture by the mPC-MgO was investigated by FTIR and XPS, and the results indicated that the high CO2 capture capacity and the favorable selectivity of the as-prepared materials were mainly attributed to their special structure (i.e., surface area, functional groups, and the MgO NPs). This work would open up a new pathway to slow down global warming as well as resolve the pollution of waste biomass.

  19. High in-plane anisotropy of epitaxial CoPt(110) alloy films prepared by cosputtering or molecular beam epitaxy on MgO

    SciTech Connect

    Abes, M.; Ersen, O.; Meny, C.; Schmerber, G.; Acosta, M.; Arabski, J.; Ulhaq-Bouillet, C.; Dinia, A.; Panissod, P.; Pierron-Bohnes, V.

    2007-03-15

    We present structural and magnetic properties of three sets of structures: as-deposited CoPt films cosputtered at 900 K on MgO(110) substrates with a Pt(110) buffer layer and CoPt films deposited by molecular beam epitaxy directly on MgO(110) substrates at 900 K, as prepared and annealed at 900 K. All layers have the L1{sub 0} tetragonal structure. The chemical long-range ordering for the as-deposited CoPt films is incomplete in contrast with the annealed CoPt films, where long-range order is the highest. The structural study of these CoPt films grown on MgO(110) has pointed out that three variants of the L1{sub 0} phase coexist. The proportion of x and y variants, with the concentration modulation along a vector oriented at 45 degree sign with respect to the growth direction, is higher than the proportion of the z variant with the concentration modulation within the plane. The magnetic study shows an in-plane easy magnetization axis with a large magnetic anisotropy. This is interesting for the magnetic recording media with classical longitudinal writing and reading heads. The simulation of the magnetization loops confirms that the easy magnetization axis is within the plane and along the [110] direction, favored by the dominant x and y variants.

  20. Inelastic neutron scattering (INS) observations of rotational tunneling within partially deuterated methane monolayers adsorbed on MgO(1 0 0) surfaces

    NASA Astrophysics Data System (ADS)

    Hicks, Andy S.; Larese, J. Z.

    2013-12-01

    High resolution inelastic neutron scattering (INS) measurements of the low temperature (T ∼ 2.0 K) rotational dynamics of isotopically substituted methane monolayers adsorbed on MgO(1 0 0) are presented. These spectra, obtained using BASIS at SNS, represent the most detailed measurements available for surface-adsorbed monolayer films of methane. Distinct excitations are readily observed at 15, 31, 45 and 127 μeV for the CH2D2 on MgO monolayer and at 40, 51, 95 and 138 μeV for CH3D/MgO. These features are attributed to tunneling transitions between sublevels within the ground librational state and are interpreted using the pocket state (PS) formalism first proposed by Hüller. This theoretical analysis employs the findings of earlier studies of CH4 on MgO(1 0 0) which suggest that molecules adsorb with their C2v axes normal to the surface plane. The comparison between theory and experiment provides direct insight into the impact of molecular versus surface symmetry on the observed tunneling spectra.

  1. Pt-Zn Clusters on Stoichiometric MgO(100) and TiO2(110): Dramatically Different Sintering Behavior

    SciTech Connect

    Dadras, Mostafa J.; Shen, Lu; Alexandrova, Anastassia N.

    2015-03-02

    Zn was suggested to be a promising additive to Pt in the catalysis of dehydrogenation reactions. In this work, mixed Pt-Zn clusters deposited on two simple oxides, MgO(100) and TiO2(110), were investigated. The stability of these systems against cluster sintering, one of the major mechanisms of catalyst deactivation, is simulated using a Metropolis Monte Carlo scheme under the assumption of the Ostwald ripening mechanism. Particle migration, association to and dissociation from clusters, and evaporation and redeposition of monomers were all included in the simulations. Simulations are done at several high temperatures relevant to reactions of catalytic dehydrogenation. The effect of temperature is included via both the Metropolis algorithm and the Boltzmann-weighted populations of the global and thermally accessible local minima on the density functional theory potential energy surfaces of clusters of all sizes and compositions up to tetramers. On both surfaces, clusters are shown to sinter quite rapidly. However, the resultant compositions of the clusters most resistant to sintering are quite different on the two supports. On TiO2(110), Pt and Zn appear to phase separate, preferentially forming clusters rich in just one or the other metal. On MgO(100), Pt and Zn remain well-mixed and form a range of bimetallic clusters of various compositions that appear relatively stable. However, Zn is more easily lost from MgO through evaporation. These phenomena were rationalized by several means of chemical bonding analysis.

  2. Photocurrent enhancement of chemically synthesized Ag nanoparticle-embedded BiFeO3 thin films

    NASA Astrophysics Data System (ADS)

    Maruyama, Rika; Sakamoto, Wataru; Yuitoo, Isamu; Takeuchi, Teruaki; Hayashi, Koichiro; Yogo, Toshinobu

    2016-10-01

    BiFeO3 and Ag nanoparticle-embedded BiFeO3 thin films were prepared on Pt/TiO x /SiO2/Si and MgO(100) substrates using colloidal silver and BiFeO3 metal-organic precursor solutions. Colloidal silver solution was prepared by a chemical reductive method using NaBH4 as a reductant. The prepared Ag nanoparticles exhibited characteristic optical absorption properties based on their surface plasmon resonance related to particle size. The synthesized BiFeO3 and Ag nanoparticle/BiFeO3 thin films demonstrated rapid on/off responses of photocurrent to visible light. The Ag nanoparticle-incorporated BiFeO3 film exhibited a 2-4-fold higher photocurrent than the BiFeO3 film. Optical and ferroelectric properties did not change markedly even when Ag nanoparticles were embedded in the BiFeO3 thin film within the quantities of this study. Furthermore, in the Ag nanoparticle/BiFeO3 composite structure, Ag nanoparticles were introduced in the near-metallic state with maintained their nanometer size. In the Ag nanoparticle-embedded BiFeO3 film, photoinduced charge separation and transport of photoexcited carriers were enhanced by the surface plasmon effect of nanosized Ag particles as well as the internal bias electric field existed in the narrow-bandgap BiFeO3 thin film.

  3. Thermal stability of NdBCO/YBCO/MgO thin film seeds

    NASA Astrophysics Data System (ADS)

    Volochová, D.; Kavečanský, V.; Antal, V.; Diko, P.; Yao, X.

    2016-04-01

    Thermal stability of the Nd1+x Ba2-x Cu3O7-δ (Nd-123 or NdBCO) thin films deposited on MgO substrate, with YBa2Cu3O7-δ (Y-123 or YBCO) buffer layer (NdBCO/YBCO/MgO thin film), has been experimentally studied in order to determine the optimal film thickness acting as seed for bulk YBCO growth. YBCO bulk superconductors with Y2BaCuO5 (Y-211) and CeO2 addition were prepared by the top seeded melt growth process in a chamber furnace using NdBCO/YBCO/MgO thin film seeds of different thicknesses (200-700 nm with 20 nm YBCO buffer layer) and different maximum temperatures, T max. The maximum temperatures varied in the range of 1040 °C-1125 °C. The highest thermal stability 1118 °C was observed in the case of NdBCO/YBCO/MgO thin film of 300 nm thickness. These results are corroborated with differential scanning calorimetry and high temperature x-ray diffraction measurements, as well as microstructure observations.

  4. Metal-insulator transition in epitaxial perovskite SrIrO3 thin films via strain

    NASA Astrophysics Data System (ADS)

    Gruenewald, J. H.; Terzic, J.; Nichols, J.; Cao, G.; Seo, S. S. A.

    2014-03-01

    Iridates have drawn considerable interest due to their exotic phases arising from the interplay of the strong spin-orbit interaction and the electronic correlation. Here we will discuss our experimental investigations of the electronic properties of epitaxially strained SrIrO3 thin-films. The orthorhombic perovskite crystal phase of SrIrO3 is synthesized as a thin film (~ 20 nm) on various substrates of (LaAlO3)0.3-(Sr2AlTaO6)0.7, SrTiO3, GdScO3, and MgO using pulsed laser deposition. We have observed that when the in-plane lattice parameters are tuned from tensile to compressive strain, the electronic behavior of the strained SrIrO3 thin-films changes from metallic to insulating. All samples have sheet resistance below 13 k Ω/ □, and the insulating samples were fit using the Mott variable-range-hopping equation at low temperatures (< 15 K), which is believed to be the conducing mechanism of Anderson localization at finite temperature. The strain-dependent metal-insulator transition in epitaxial perovskite SrIrO3 thin-films offers an important insight into the electronic structure of these strongly correlated, spin-orbit-coupled materials. This work was supported by grants EPS-0814194, DMR-0856234, DMR-1265162, and KSEF-148-502-12-303.

  5. High quality superconducting NbN thin films on GaAs

    NASA Astrophysics Data System (ADS)

    Marsili, Francesco; Gaggero, Alessandro; Li, Lianhe H.; Surrente, Alessandro; Leoni, Roberto; Lévy, Francis; Fiore, Andrea

    2009-09-01

    A very promising way to increase the detection efficiency of nanowire superconducting single-photon detectors (SSPDs) consists in integrating them with advanced optical structures such as distributed Bragg reflectors (DBRs) and optical waveguides. This requires transferring the challenging SSPD technology from the usual substrates, i.e. sapphire and MgO, to an optical substrate like GaAs, on which DBRs and waveguides can be easily obtained. Therefore, we optimized the deposition process of few-nm thick superconducting NbN films on GaAs and AlAs/GaAs-based DBRs at low temperatures (substrate temperature TS = 400 °C), in order to prevent As evaporation. NbN films ranging from 150 to 3 nm in thickness were then deposited on single-crystal MgO, GaAs, MgO-buffered GaAs and DBRs by current-controlled DC magnetron sputtering (planar, circular, balanced configuration) of Nb in an Ar+N2 plasma. 5.5 nm thick NbN films on GaAs exhibit TC = 10.7 K, ΔTC = 1.1 K and RRR = 0.7. The growth of such high quality thin NbN films on GaAs and DBRs has never been reported before.

  6. Highly oriented Bi-based thin films with zero resistance at 106 K

    SciTech Connect

    Kula, W.; Sobolewski, R.; Gorecka, J.; Lewardowski, S.L. )

    1991-03-01

    This paper reports on fabrication and characterization of nearly single-phase superconducting Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub x} thin films. The films were dc magnetron sputtered from heavily Pb-doped (Pb/Bi molar ratios up to 1.25), sintered targets on unheated MgO, SrTiO{sub 3}, CaNdAlO{sub 4}, and SrLaAlO{sub 4} single crystals. For the films grown on the (100) oriented MgO substrate, less than 1 hour of annealing in air at 870{degrees} C was sufficient to obtain more than 90% of the 110-K-phase material, with highly c-axis oriented crystalline structure and zero resistivity at 106 K. The films fabricated on the other substrates also exhibited a narrow superconducting transition and were fully superconducting above 100 K, but they consisted of a mixed-phase material with a large percentage of the 80 K phase.

  7. The role of Ag in the pulsed laser growth of YBCO thin films

    NASA Astrophysics Data System (ADS)

    Kalyanaraman, R.; Oktyabrsky, S.; Narayan, J.

    1999-05-01

    We have studied systematically the role of silver in improving microstructure and properties of Y1Ba2Cu3O7-δ (YBCO) thin films. We have more than doubled the grain size to nearly 1.8 μm and reduced processing temperatures by incorporating Ag in the YBCO films, which is accomplished by using a composite target containing 15% by weight of Ag. These films show approximately four times higher Jc than the best films obtained on MgO(001) substrates deposited from stoichiometric Y1Ba2Cu3O7-δ targets. Study of the silver content in the film as a function of the deposition temperature shows clearly a decreasing concentration with increasing temperature and a segregation of the Ag to the surface. The increased oxygen content in the films is also observed at lower processing temperatures, providing strong support for the efficient oxygenation of YBCO via the presence of silver. A qualitative model suggests that the formation of silver oxide, rapid surface diffusion of Ag on MgO surfaces, and the nonreactivity of Ag with YBCO are the key aspects to the improvement in microstructure. The possibility of extending these ideas to the growth of oxides is also discussed, along with the fabrication of in-situ superconducting-metal junctions with 3D geometries.

  8. Study of Thin Oxide Films with NC-AFM: Atomically Resolved Imaging and Beyond

    NASA Astrophysics Data System (ADS)

    Heyde, M.; Simon, G. H.; König, T.

    Results presented in the following show structural analysis of metaloxide surfaces and the extraction of physical quantities from the force field above such a surface by noncontact atomic force microscopy (NC-AFM). The measurements have been performed with our dual mode NC-AFM/STM in ultrahigh vacuum at 5 K. The introduction will be followed by a description of the experimental setup, including the ultrahigh vacuum cryogenic environment and our tuning fork tunneling current and force sensor. The sensor parameters affecting the measurements are given together with an amplitude characterization method. In the next section, a structure determination of ultrathin Alumina/NiAl(110) is shown. Atomic resolution could be achieved throughout both reflection domain unit cells. NC-AFM reveals details of morphological features, interconnections to substrate-film interactions, and comparability to theory also with respect to topographic height. In the last section, we present measurements beyond imaging, namely spectroscopy data taken on thin MgO films grown on Ag(001). Force-distance measurements based on atomically resolved NC-AFM images of these films have been taken. Inequivalent sites could be resolved and their effect on nucleation and adsorption processes is debated. Furthermore, work function shift measurements on different MgO film thicknesses grown on Ag(001) are studied and the impact of this shift on the catalytic properties of adsorbed metal species is discussed.

  9. Atomization characteristics and direct determination of manganese and magnesium in biological samples using a magnetically altered thin-film plasma

    SciTech Connect

    Brewer, S.W. Jr.; Sacks, R.D.

    1988-09-01

    A magnetic field with peak value of 3.7 kG is used to improve the atomization characteristics of an electrically vaporized thin-film plasma for the direct determination of Mg and Mn in solid biological materials. Plasmas are generated by high-current capacitive discharges through 350-..mu..g Ag or Au thin films formed on polypropylene substrates. Radiation intensity vs time plots are compared with and without the magnetic field for the NBS materials bovine liver, oyster tissue, orchard leaves, citrus leaves, tomato leaves, and pine needles. Analytical standard for Mg are prepared from suspensions of MgO powder, and standards for Mn are prepared from aqueous solutions of Mn(NO/sub 3/)/sub 2/ or MnSO/sub 4/. Analytical accuracy usually is improved with the presence of the magnetic field.

  10. Ceramic Composite Thin Films

    NASA Technical Reports Server (NTRS)

    Ruoff, Rodney S. (Inventor); Stankovich, Sasha (Inventor); Dikin, Dmitriy A. (Inventor); Nguyen, SonBinh T. (Inventor)

    2013-01-01

    A ceramic composite thin film or layer includes individual graphene oxide and/or electrically conductive graphene sheets dispersed in a ceramic (e.g. silica) matrix. The thin film or layer can be electrically conductive film or layer depending the amount of graphene sheets present. The composite films or layers are transparent, chemically inert and compatible with both glass and hydrophilic SiOx/silicon substrates. The composite film or layer can be produced by making a suspension of graphene oxide sheet fragments, introducing a silica-precursor or silica to the suspension to form a sol, depositing the sol on a substrate as thin film or layer, at least partially reducing the graphene oxide sheets to conductive graphene sheets, and thermally consolidating the thin film or layer to form a silica matrix in which the graphene oxide and/or graphene sheets are dispersed.

  11. Super Thin Ceramic Coatings

    NASA Video Gallery

    New technology being developed at NASA's Glenn Research Center creates super thin ceramic coatings on engine components. The Plasma Spray – Physical Vapor Deposition (PS-PVD) rig uses a powerful ...

  12. Study on methane conversion to syngas over nano Pt-CeO2-ZrO2/MgO catalysts: Structure and catalytic behavior of catalysts prepared by using ion exchange resin method.

    PubMed

    Yang, Min; Guo, Haijun; Li, Yansheng; Wang, Wei; Zhou, Le

    2011-06-01

    Nano Pt-Ce02-Zr02/MgO catalysts with 0.8 wt.% Pt, 3.0 wt.% Ce02 and 3.0 wt.% Zr02 were prepared by wet impregnation mothod. Support MgO was obtained using ion exchange resin method or using commercial MgO. SBET, XRD, TEM and C02-TPD were used to characterize the supports and catalysts. CH4-C02 reforming to synthesis gas was performed to test the catalytic behavior of the catalysts. The catalysts prepared using ion exchange resin exhibited more regular structure, more basic sites and higher stability of Pt and MgO than prepared from commercial MgO. At 1073 K, atmospheric pressure, and at high gas hourly space velocity of 36,000 mL/(g-hr) with a stoichiometric feed of CH4 and C02, the catalyst supported on the MOH(GD)-IE showed a higher and more stable activity for CH4-C02 reforming reaction than the catalyst prepared using commercial MgO. The characterisation results demonstrated that the high activity and stability of the catalyst stem from the high dispersion of Pt, the stable structure and the high resistance to carbon deposition on the catalyst.

  13. Thin silicon solar cells

    NASA Astrophysics Data System (ADS)

    Hall, R. B.; Bacon, C.; Direda, V.; Ford, D. H.; Ingram, A. E.; Cotter, J.; Hughes-Lampros, T.; Rand, J. A.; Ruffins, T. R.; Barnett, A. M.

    1992-12-01

    The silicon-film design achieves high performance by using a dun silicon layer and incorporating light trapping. Optimally designed thin crystalline solar cells (less than 50 microns thick) have performance advantages over conventional thick devices. The high-performance silicon-film design employs a metallurgical barrier between the low-cost substrate and the thin silicon layer. Light trapping properties of silicon-film on ceramic solar cells are presented and analyzed. Recent advances in process development are described here.

  14. Multifunctional thin film surface

    DOEpatents

    Brozik, Susan M.; Harper, Jason C.; Polsky, Ronen; Wheeler, David R.; Arango, Dulce C.; Dirk, Shawn M.

    2015-10-13

    A thin film with multiple binding functionality can be prepared on an electrode surface via consecutive electroreduction of two or more aryl-onium salts with different functional groups. This versatile and simple method for forming multifunctional surfaces provides an effective means for immobilization of diverse molecules at close proximities. The multifunctional thin film has applications in bioelectronics, molecular electronics, clinical diagnostics, and chemical and biological sensing.

  15. Thin silicon solar cells

    SciTech Connect

    Hall, R.B.; Bacon, C.; DiReda, V.; Ford, D.H.; Ingram, A.E.; Cotter, J.; Hughes-Lampros, T.; Rand, J.A.; Ruffins, T.R.; Barnett, A.M.

    1992-12-01

    The silicon-film design achieves high performance by using a dun silicon layer and incorporating light trapping. Optimally designed thin crystalline solar cells (<50 microns thick) have performance advantages over conventional thick devices. The high-performance silicon-film design employs a metallurgical barrier between the low-cost substrate and the thin silicon layer. Light trapping properties of silicon-film on ceramic solar cells are presented and analyzed. Recent advances in process development are described here.

  16. Understanding In Vivo Response and Mechanical Property Variation in MgO, SrO and SiO2 doped β-TCP

    PubMed Central

    Bose, Susmita; Tarafder, Solaiman; Banerjee, Shashwat S.; Davies, Neal M.; Bandyopadhyay, Amit

    2011-01-01

    The aim of this work is to evaluate the influence of MgO, SrO and SiO2 doping on mechanical and biological properties of β-tricalcium phosphate (β-TCP) to achieve controlled resorption kinetics of β-TCP system for maxillofacial and spinal fusion application. We prepared dense TCP compacts of four different compositions, i) pure β-TCP, ii) β-TCP with 1.0 wt. % MgO + 1.0 wt. % SrO, iii) β-TCP with 1.0 wt. % SrO + 0.5 wt. % SiO2, and iv) β-TCP with 1.0 wt. % MgO + 1.0 wt. % SrO + 0.5 wt. % SiO2, by uniaxial pressing and sintering at 1250 °C. β phase stability is observed at 1250 °C sintering temperature due to MgO doping in β-TCP. In vitro mineralization in simulated body fluid (SBF) for 16 weeks shows excellent apatite growth on undoped and doped samples. Strength degradation of TCP samples in SBF is significantly influenced by both dopant chemistry and amount of dopant. Compressive strengths for all samples show degradation in SBF over the 16 week time period with varying degradation kinetics. MgO/SrO/SiO2 doped sample shows no strength loss, while undoped TCP shows the maximum strength loss from 419 ±28 MPa to 158 ±28 MPa over the 16 week study. In case of MgO/SrO doped TCP, strength loss is slow and gradual. TCP doped with 1.0 wt. % MgO and 1.0 wt. % SrO shows excellent in vivo biocompatibility when tested in male Sprague-Dawley rats for 16 weeks. Histomorphology analysis reveals that MgO/SrO doped TCP promoted osteogenesis by excellent early stage bone remodeling as compared to undoped TCP. PMID:21419884

  17. Fabrication of highly spin-polarized Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} thin-films

    SciTech Connect

    Vahidi, M.; Zhang, S. K.; Yu, L.; Huang, M.; Newman, N.; Gifford, J. A.; Chen, T. Y.; Krishnamurthy, S.; Yu, Z. G.; Youngbull, C.

    2014-04-01

    Ferromagnetic Heusler Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} epitaxial thin-films have been fabricated in the L2{sub 1} structure with saturation magnetizations over 1200 emu/cm{sup 3}. Andreev reflection measurements show that the spin polarization is as high as 80% in samples sputtered on unheated MgO (100) substrates and annealed at high temperatures. However, the spin polarization is considerably smaller in samples deposited on heated substrates.

  18. High-power high-brightness solar laser approach for renewable Mg recovery from MgO

    NASA Astrophysics Data System (ADS)

    Almeida, Joana; Liang, Dawei

    2014-08-01

    Hydrogen and heat energy from the reaction of magnesium with water can be used for engines and fuel cells. However, at least 4000 K is necessary for magnesium oxide reduction. Ultra high brightness solar-pumped lasers become essential to make this renewable process technology efficient and economically competitive. 2.3 mg/kJ solar laser - induced magnesium production efficiency has been achieved by T. Yabe et al., in 2012, by focusing a 53 W solar laser beam on a mixture of MgO with Si as reducing agent. This result is however far from the 12.1 mg/kJ attained with 2 kW/mm2 CO2 laser beam. To improve substantially the solar laser - induced Mg production efficiency, a simple high-power, high brightness Nd:YAG solar laser pumping approach is proposed. The solar radiation is both collected and concentrated by four Fresnel lenses, and redirected towards a Nd:YAG laser head by four plane folding mirrors. A fused-silica secondary concentrator is used to compress the highly concentrated solar radiation to a laser rod. Optimum pumping conditions and laser resonator parameters are found through ZEMAXand LASCADnumerical analysis. High-record solar laser beam brightness figure of merit - defined as the ratio between laser power and the product of Mx 2 and My 2 - of 10.5 W is numerically achieved, being 5.5 times higher than the previous record and about 1600 times more than that of the most powerful Nd:YAG solar laser. 8340 W/mm2 is numerically achieved at its focal region, which can quadruple the magnesium production efficiency with clean energy.

  19. Field-dependent perpendicular magnetic anisotropy in CoFeB thin films

    SciTech Connect

    Barsukov, I. Krivorotov, I. N.; Fu, Yu; Gonçalves, A. M.; Sampaio, L. C.; Spasova, M.; Farle, M.; Arias, R. E.

    2014-10-13

    We report ferromagnetic resonance measurements of perpendicular magnetic anisotropy in thin films of Ta/Co{sub 20}Fe{sub 60}B{sub 20}/MgO as a function of the Co{sub 20}Fe{sub 60}B{sub 20} layer thickness. The first and second order anisotropy terms show unexpectedly strong dependence on the external magnetic field applied to the system during the measurements. We propose strong interfacial spin pinning as a possible origin of the field-dependent anisotropy. Our results imply that high-field anisotropy measurements cannot be directly used for quantitative evaluation of zero-field performance parameters of CoFeB-based devices such as spin torque memory.

  20. Temperature dependence of perpendicular magnetic anisotropy in CoFeB thin films

    NASA Astrophysics Data System (ADS)

    Fu, Yu; Barsukov, I.; Li, Jing; Gonçalves, A. M.; Kuo, C. C.; Farle, M.; Krivorotov, I. N.

    2016-04-01

    We study perpendicular magnetic anisotropy in thin films of Ta/Co20Fe60B20/MgO by ferromagnetic resonance and find a linear temperature dependence for the first and second order uniaxial terms from 5 to 300 K. Our data suggest the possible hybridization of Fe-O orbitals at the CoFeB/MgO interface for the origin of the first order anisotropy. However, we also find that non-interfacial contributions to the anisotropy are present. An easy-cone anisotropy is found for the entire temperature range in the narrow region of film thicknesses around the spin reorientation transition 1.2-1.35 nm.

  1. Polarized Raman scattering study of PSN single crystals and epitaxial thin films

    NASA Astrophysics Data System (ADS)

    Pokorný, J.; Rafalovskyi, I.; Gregora, I.; Borodavka, F.; Savinov, M.; Drahokoupil, J.; Tyunina, M.; Kocourek, T.; Jelinek, M.; Bing, Y.; Ye, Z.-G.; Hlinka, J.

    2015-06-01

    This paper describes a detailed analysis of the dependence of Raman scattering intensity on the polarization of the incident and inelastically scattered light in PbSc0.5Nb0.5O3 (PSN) single crystals and epitaxially compressed thin films grown on (100)-oriented MgO substrates. It is found that there are significant differences between the properties of the crystals and films, and that these differences can be attributed to the anticipated structural differences between these two forms of the same material. In particular, the scattering characteristics of the oxygen octahedra breathing mode near 810 cm-1 indicate a ferroelectric state for the crystals and a relaxor state for the films, which is consistent with the dielectric behaviors of these materials.

  2. Low temperature phase formation of Tl-based superconducting thin films in reduced oxygen atmosphere

    NASA Technical Reports Server (NTRS)

    Wu, C. Y.; Foong, F.; Liou, S. H.; Ho, J. C.

    1993-01-01

    Tl-Ba-Cu-Cu-O superconducting thin films were prepared by magnetron sputtering with postannealing in a reduced oxygen atmosphere. Single-phase Tl2Ba2Ca2Cu3O(x) can form on the MgO substrate at 800 C under P(O2) about 0.1 atm. However the phase formation temperature can be affected by the starting composition of the film. Tl1Ba2Ca2Cu3O(x) phase can be formed by simply lowering the Tl2O pressure. The thermal stability of Tl1Ba2Ca2Cu3O(x) phase was studied by resistivity measurements at high temperatures.

  3. Epitaxial growth and electronic properties of mixed valence YbAl3 thin films

    NASA Astrophysics Data System (ADS)

    Chatterjee, Shouvik; Sung, Suk Hyun; Baek, David J.; Kourkoutis, Lena F.; Schlom, Darrell G.; Shen, Kyle M.

    2016-07-01

    We report the growth of thin films of the mixed valence compound YbAl3 on MgO using molecular-beam epitaxy. Employing an aluminum buffer layer, epitaxial (001) films can be grown with sub-nm surface roughness. Using x-ray diffraction, in situ low-energy electron diffraction, and aberration-corrected scanning transmission electron microscopy, we establish that the films are ordered in the bulk as well as at the surface. Our films show a coherence temperature of 37 K, comparable to that reported for bulk single crystals. Photoelectron spectroscopy reveals contributions from both f13 and f12 final states establishing that YbAl3 is a mixed valence compound and shows the presence of a Kondo Resonance peak near the Fermi-level.

  4. Reduced pressure MOCVD of C-axis oriented BiSrCaCuO thin films

    NASA Technical Reports Server (NTRS)

    Hamaguchi, Norihito; Vigil, J.; Gardiner, R.; Kirlin, P. S.

    1990-01-01

    BiSrCaCuO thin films were deposited on MgO (100) single-crystal substrates by metalorganic chemical vapor deposition at 500 C and 2 torr using fluorinated beta-diketonate complexes of Sr, Ca, and Cu and triphenylbismuth. An inverted vertical reaction chamber allowed uniform film growth over large areas (7.7 cm diameter). The as-deposited films were amorphous mixtures of oxides and fluorides; a two-step annealing protocol (750 C + 850-870 C) was developed which gives c-axis oriented films of Bi2Sr2Ca1Cu2O(x). The postannealed films showed onsets in the resistive transition of 110 K, and zero resistivity was achieved by 83 K. Critical current densities as high as 11,000 A/sq cm were obtained at 25 K.

  5. Lithospheric and crustal thinning

    NASA Technical Reports Server (NTRS)

    Moretti, I.

    1985-01-01

    In rift zones, both the crust and the lithosphere get thinner. The amplitude and the mechanism of these two thinning situations are different. The lithospheric thinning is a thermal phenomenon produced by an asthenospherical uprising under the rift zone. In some regions its amplitude can exceed 200%. This is observed under the Baikal rift where the crust is directly underlaid by the mantellic asthenosphere. The presence of hot material under rift zones induces a large negative gravity anomaly. A low seismic velocity zone linked to this thermal anomaly is also observed. During the rifting, the magmatic chambers get progressively closer from the ground surface. Simultaneously, the Moho reflector is found at shallow depth under rift zones. This crustal thinning does not exceed 50%. Tectonic stresses and vertical movements result from the two competing effects of the lithospheric and crustal thinning. On the one hand, the deep thermal anomaly induces a large doming and is associated with extensive deviatoric stresses. On the other hand, the crustal thinning involves the formation of a central valley. This subsidence is increased by the sediment loading. The purpose here is to quantify these two phenomena in order to explain the morphological and thermal evolution of rift zones.

  6. Materials-based control of ultrafast relaxation in ferromagnetic thin films

    NASA Astrophysics Data System (ADS)

    Cheng, Lili

    As data rates in magnetic information storage approach 1GHz and above, strategies to control the magnetization dynamics in films become a more pressing need. Materials-based techniques to control relaxation can offer a straightforward implementation for this purpose. Strategies to both increase and decrease the damping constant in ferromagnetic thin films are described in this thesis. By doping rare earth elements, both damping constant and precessional frequency of Ni81Fe19 (Permalloy) can be widely tuned. Sm, Tb, Dy, and Ho all contribute to damping in Ni81Fe19, among which the contribution of relaxation rate from Ho (1.9GHz/%) is the most, which is four times of that from Tb. The increased damping correlates well to the magnetic states of the rare earths. One element, Eu, does not contribute to damping, but it boosts the precessional frequency over a large range (>500 MHz) in Ni 81Fe19. Fe has the lowest damping constant of all elemental ferromagnets. We demonstrate that by doping V into pure Fe, the damping constant can be further reduced. High quality MgO(100)/Fe1-xV x epitaxial thin films are deposited by UHV deposition, with the 35 GHz FMR linewidth (42 Oe) of MgO(100)/Fe film even smaller than the narrowest linewidth of Fe ever reported. As V is doped in, Gilbert damping G decreases. The minimum G value observed is only 14% of that of undoped Fe film, and is even only 34% of the lowest G value ever reported on metallic ferromagnets. The decrease in the Gilbert damping G is closely related to the reduced magnetic anisotropy in the system. The results of this thesis will help advance the understanding of the damping mechanisms in ferromagnets and provide more freedom in engineering the GHz response of the magnetoelectronic devices.

  7. Sequentially evaporated thin Y-Ba-Co-O superconducting films on microwave substrates

    NASA Technical Reports Server (NTRS)

    Valco, G. J.; Rohrer, N. J.; Warner, J. D.; Bhasin, K. B.

    1989-01-01

    The development of high T sub c superconducting thin films on various microwave substrates is of major interest in space electronic systems. Thin films of YBa2Cu3O(7-Delta) were formed on SrTiO3, MgO, ZrO2 coated Al2O3, and LaAlO3 substrates by multi-layer sequential evaporation and subsequent annealing in oxygen. The technique allows controlled deposition of Cu, BaF2 and Y layers, as well as the ZrO buffer layers, to achieve reproducibility for microwave circuit fabrication. The three layer structure of Cu/BaF2/Y is repeated a minimum of four times. The films were annealed in an ambient of oxygen bubbled through water at temperatures between 850 C and 900 C followed by slow cooling (-2 C/minute) to 450 C, a low temperature anneal, and slow cooling to room temperature. Annealing times ranged from 15 minutes to 5 hrs. at high temperature and 0 to 6 hr. at 450 C. Silver contacts for four probe electrical measurements were formed by evaporation followed with an anneal at 500 C. The films were characterized by resistance-temperature measurements, energy dispersive X-ray spectroscopy, X-ray diffraction, and scanning electron microscopy. Critical transition temperatures ranged from 30 K to 87 K as a function of the substrate, composition of the film, thicknesses of the layers, and annealing conditions. Microwave ring resonator circuits were also patterned on these MgO and LaAlO3 substrates.

  8. Thin film photovoltaics

    SciTech Connect

    Zweibel, K; Ullal, H S

    1989-05-01

    Thin films are considered a potentially attractive technological approach to making cost-effective electricity by photovoltaics. Over the last twenty years, many have been investigated and some (cadmium telluride, copper indium diselenide, amorphous silicon) have become leading candidates for future large-scale commercialization. This paper surveys the past development of these key thin films and gives their status and future prospects. In all cases, significant progress toward cost-effective PV electricity has been made. If this progress continues, it appears that thin film PV could provide electricity that is competitive for summer daytime peaking power requirements by the middle of the 1990s; and electricity in a range that is competitive with fossil fuel costs (i.e., 6 cents/kilowatt-hour) should be available from PV around the turn of the century. 22 refs., 9 figs.

  9. Thin film temperature sensor

    NASA Technical Reports Server (NTRS)

    Grant, H. P.; Przybyszewski, J. S.

    1980-01-01

    Thin film surface temperature sensors were developed. The sensors were made of platinum-platinum/10 percent rhodium thermocouples with associated thin film-to-lead wire connections and sputtered on aluminum oxide coated simulated turbine blades for testing. Tests included exposure to vibration, low velocity hydrocarbon hot gas flow to 1250 K, and furnace calibrations. Thermal electromotive force was typically two percent below standard type S thermocouples. Mean time to failure was 42 hours at a hot gas flow temperature of 1250 K and an average of 15 cycles to room temperature. Failures were mainly due to separation of the platinum thin film from the aluminum oxide surface. Several techniques to improve the adhesion of the platinum are discussed.

  10. MOCVD and PE-MOCVD of HTSC thin films

    NASA Astrophysics Data System (ADS)

    Kirlin, Peter S.

    1992-04-01

    High quality YBaCuO and TlBaCaCuO thin films were deposited on MgO, LaAlO3 and Ag substrates by standard thermal and plasma enhanced MOCVD. The growth was done in inverted vertical reactors designed to achieve stagnation point flow and extremely uniform deposition rates were achieved (±0.5%) over large areas (5 cm2). The films were characterized by SEM-EDX, x-ray diffraction, four point probe, critical current density, dynamic impedance, and surface resistance measurements. C-axis oriented films with resistive transitions (R≤0.1 μV/cm) exceeding 110 K and 85 K were routinely obtained for the Tl- and Y-based superconductors grown on single crystal substrates. The best films had inductive transition widths less than 1 K and critical current densities (ambient field) as high as 106 A/cm2 at 77 K. The surface resistance of the films was measured using a cavity end wall replacement method and values as low as 10 mΩ were observed at 78 K and 35 GHz on both LaAlO3 (100) and Ag substrates.

  11. Thin film ceramic thermocouples

    NASA Technical Reports Server (NTRS)

    Gregory, Otto (Inventor); Fralick, Gustave (Inventor); Wrbanek, John (Inventor); You, Tao (Inventor)

    2011-01-01

    A thin film ceramic thermocouple (10) having two ceramic thermocouple (12, 14) that are in contact with each other in at least on point to form a junction, and wherein each element was prepared in a different oxygen/nitrogen/argon plasma. Since each element is prepared under different plasma conditions, they have different electrical conductivity and different charge carrier concentration. The thin film thermocouple (10) can be transparent. A versatile ceramic sensor system having an RTD heat flux sensor can be combined with a thermocouple and a strain sensor to yield a multifunctional ceramic sensor array. The transparent ceramic temperature sensor that could ultimately be used for calibration of optical sensors.

  12. Thin film photovoltaic device

    DOEpatents

    Catalano, Anthony W.; Bhushan, Manjul

    1982-01-01

    A thin film photovoltaic solar cell which utilizes a zinc phosphide semiconductor is of the homojunction type comprising an n-type conductivity region forming an electrical junction with a p-type region, both regions consisting essentially of the same semiconductor material. The n-type region is formed by treating zinc phosphide with an extrinsic dopant such as magnesium. The semiconductor is formed on a multilayer substrate which acts as an opaque contact. Various transparent contacts may be used, including a thin metal film of the same chemical composition as the n-type dopant or conductive oxides or metal grids.

  13. Shear Thinning in Xenon

    NASA Technical Reports Server (NTRS)

    Bergm Robert F.; Moldover, Michael R.; Yao, Minwu; Zimmerli, Gregory A.

    2009-01-01

    We measured shear thinning, a viscosity decrease ordinarily associated with complex liquids such as molten plastics or ketchup, near the critical point of xenon. The data span a wide range of dimensionless shear rate: the product of the shear rate and the relaxation time of critical fluctuations was greater than 0.001 and was less than 700. As predicted by theory, shear thinning occurred when this product was greater than 1. The measurements were conducted aboard the Space Shuttle Columbia to avoid the density stratification caused by Earth's gravity.

  14. Thin-film optical initiator

    DOEpatents

    Erickson, Kenneth L.

    2001-01-01

    A thin-film optical initiator having an inert, transparent substrate, a reactive thin film, which can be either an explosive or a pyrotechnic, and a reflective thin film. The resultant thin-film optical initiator system also comprises a fiber-optic cable connected to a low-energy laser source, an output charge, and an initiator housing. The reactive thin film, which may contain very thin embedded layers or be a co-deposit of a light-absorbing material such as carbon, absorbs the incident laser light, is volumetrically heated, and explodes against the output charge, imparting about 5 to 20 times more energy than in the incident laser pulse.

  15. Melting Phase Relations and "Stishovite Paradox" in Lower-Mantle System MgO - FeO - SiO2 at 24 GPa

    NASA Astrophysics Data System (ADS)

    Litvin, Yuriy; Spivak, Anna; Dubrovinsky, Leonid

    2014-05-01

    Stishovite is missed in model composition of the ultrabasic lower mantle (Akaogi, 2007; Stixrude, Lithgow-Bertelloni, 2007). It is due to the fact that mineralogy of the lower mantle is estimated by experimental study of phase relation of the pyrolite composition up to 50 GPa. It was found that ultrabasic assemblage magnesiowustite+Mg-perovskite+Ca-perovskite is stable at PT-conditions of the lower mantle. However, stishovite is a representative phase in basic assemblage stishovite+Ca-perovskite+Mg-perovskite+Al-bearing resulted in similar experiments with basaltic compositions. But in this case stishovite should be subducted into the lower mantle. Meanwhile, paradoxal intergrowths of stishovite with magnesiowustite, indicatory mineral of the ultrabasic lower mantle, were found out as inclusions in 'super-deep' diamonds (Kaminsky, 2011, for review). Physicochemical reasons for in situ formation of stishovite and assemblage of stishovite and magnesiowustite ('stishovite paradox') at the primitive lower mantle were earlier discussed (Litvin et al, 2014). The discussion was based on preliminary data for melting phase relations of the lower mantle system MgO - FeO - SiO2 - Ca-perovskite. The goal of this work is experimental investigation of phase relations on the ternary MgO - FeO - SiO2 join of the lower mantle system MgO - FeO - SiO2 - CaO at pressure of 24 GPa. The sections (MgO)70(FeO)30-(SiO2)70(FeO)30 and (MgO)30(FeO)70-(SiO2)30(FeO)70of the ternary join were studied and melting phase diagrams for them constructed. Melting relations of the MgO - FeO - SiO2 join are characterized by formation of invariant peritectic point (Mg,Fe)-perovskite+(Mg,Fe)O+stishovite+L(liquid) and monovariant cotectic curve (Mg,Fe)O+stishovite+ L at compositions richer in FeO. Thus, peritectic reaction of (Mg,Fe)-perovskite and Fe-richer liquid is responsible for magnesiowustite (Mg,Fe)O + stishovite SiO2paragenesis. Origin of model primary ultrabasic magma is under control of

  16. Variation du coefficient de collage de l'argent et de l'or durant leur condensation sur film de MgO

    NASA Astrophysics Data System (ADS)

    Desrousseaux, G.; Carlan, A.; Jiang, Z.

    1993-10-01

    The incidence rate dependence of the sticking coefficient during the growth of gold (or silver) condensate on MgO film is experimentally investigated for a substrate kept at room temperature. This MgO substrate is deposited on quartz monitor by evaporation under UHV from a Knudsen cell. Then, from another cell, the flux of metal atoms impinges on the MgO film which covers the quartz. Under this flux of incident metal atoms, the changes (respectively θ and f) of the temperature and of the frequency of the quartz oscillator are then simultaneously recorded. Both continuous measurements enable us to calculate, at different times t, the sticking coefficient η (t) defined as the ration between the condensed metal rate q and the incident rate R. We use the results to plot η versus t and examine the slope of η-rise until the time t at which η (t) reaches unity. The progression of η (t) reaches unity. The progression of η (t) from zero to unity during the metal deposition is explained by assuming that the nucleation on preferred sites with capture of adatoms at the edge of stable germs is the prevailing condensation mechanism at the initial stage of the condensation. Our experimental results could be fitted better by assuming an exponential growth of the site occupation than an increase of the number density n_s(t) with (Rt)^{1/3}. On étudie expérimentalement la dépendance que peut présenter, par rapport au flux métallique incident, la progression vers l'unité du coefficient de collage. Pour cela, on suit cette progression pour l'or et l'argent condensés sur film de MgO à température proche de l'ambiante. Le substrat de MgO est déposé sur un quartz de pesée par évaporation sous ultra-vide à partir d'une cellule de Knudsen. Une autre cellule est utilsée pour déposer l'un de ces métaux sur le film de MgO couvrant le quartz. Les variations θ et f de la température et de la fréquence d'oscillations du quartz de pesée sous le flux d'atomes incidents

  17. Orientation of FePt nanoparticles on top of a-SiO2/Si(001), MgO(001) and sapphire(0001): effect of thermal treatments and influence of substrate and particle size

    PubMed Central

    Schilling, Martin; Ziemann, Paul; Zhang, Zaoli; Biskupek, Johannes; Kaiser, Ute

    2016-01-01

    Summary Texture formation and epitaxy of thin metal films and oriented growth of nanoparticles (NPs) on single crystal supports are of general interest for improved physical and chemical properties especially of anisotropic materials. In the case of FePt, the main focus lies on its highly anisotropic magnetic behavior and its catalytic activity, both due to the chemically ordered face-centered tetragonal (fct) L10 phase. If the c-axis of the tetragonal system can be aligned normal to the substrate plane, perpendicular magnetic recording could be achieved. Here, we study the orientation of FePt NPs and films on a-SiO2/Si(001), i.e., Si(001) with an amorphous (a-) native oxide layer on top, on MgO(001), and on sapphire(0001) substrates. For the NPs of an approximately equiatomic composition, two different sizes were chosen: “small” NPs with diameters in the range of 2–3 nm and “large” ones in the range of 5–8 nm. The 3 nm thick FePt films, deposited by pulsed laser deposition (PLD), served as reference samples. The structural properties were probed in situ, particularly texture formation and epitaxy of the specimens by reflection high-energy electron diffraction (RHEED) and, in case of 3 nm nanoparticles, additionally by high-resolution transmission electron microscopy (HRTEM) after different annealing steps between 200 and 650 °C. The L10 phase is obtained at annealing temperatures above 550 °C for films and 600 °C for nanoparticles in accordance with previous reports. On the amorphous surface of a-SiO2/Si substrates we find no preferential orientation neither for FePt films nor nanoparticles even after annealing at 630 °C. On sapphire(0001) supports, however, FePt nanoparticles exhibit a clearly preferred (111) orientation even in the as-prepared state, which can be slightly improved by annealing at 600–650 °C. This improvement depends on the size of NPs: Only the smaller NPs approach a fully developed (111) orientation. On top of MgO(001) the

  18. Magnetic properties on strained manganite thin film

    NASA Astrophysics Data System (ADS)

    Prajapat, C. L.; Singh, M. R.; Gupta, S. K.; Bhattacharya, D.; Basu, S.; Ravikumar, G.

    2014-04-01

    Structural and magnetic studies on La2/3Sr1/3MnO3 (LSMO) epitaxial films grown on STO (100) and MgO (100) substrates by Pulsed Laser Deposition are presented. Due to larger interface strain, the grain size of LSMO on MgO is much smaller than that on STO substrate. However, anisotropy energy produced as a result of in plane tensile strain is much larger in case of the films deposited on MgO in such a way that the blocking (irreversibility) temperature and the coercive fields inferred from temperature and magnetic field dependent magnetization measurements are significantly higher. The importance of this result for the memory applications is highlighted.

  19. Structural and optical properties of Ga{sub 2}O{sub 3}:In films deposited on MgO (1 0 0) substrates by MOCVD

    SciTech Connect

    Kong Lingyi; Ma Jin; Luan Caina; Zhu Zhen

    2011-08-15

    Ga{sub 2}O{sub 3}:In films with different indium (In) content x [x=In/(Ga+In) atomic ratio] have been deposited on MgO (1 0 0) substrates by metalorganic chemical vapor deposition (MOCVD). Structural analyses revealed that the film deposited with actual In content (x') of 0.09 was an epitaxial film and the films with x'=0.18 and 0.37 had mixed-phase structures of monoclinic Ga{sub 2}O{sub 3} and bixbyite In{sub 2}O{sub 3}. The absolute average transmittance of the obtained films in the visible region exceeded 95%, and the band gap was in the range of 4.74-4.87 eV. Photoluminescence (PL) measurements were performed at room temperature, in which the visible luminescences were strong and could be seen by the naked eye. The strong emissions in the visible light region were proposed to originate from the gallium vacancies, oxygen deficiencies and other defects in these films. - Graphical abstract: Low magnification XTEM (a), HRTEM (b) and SAED (c) micrographs of the interface area between Ga{sub 1.82}In{sub 0.18}O{sub 3} film and MgO substrate have showed the Ga{sub 1.82}In{sub 0.18}O{sub 3} is an epitaxial film. Highlights: > Ga{sub 1.82}In{sub 0.18}O{sub 3} epitaxial film was deposited on MgO(1 0 0) substrate. > The transmittance of the Ga{sub 2}O{sub 3}:In films in the visible region exceeded 95%. > Strong emissions were observed in the photoluminescence measurements of the films.

  20. On the relationship between the basicity of a surface and its ability to catalyze transesterification in liquid and gas phases: the case of MgO.

    PubMed

    Cornu, Damien; Guesmi, Hazar; Laugel, Guillaume; Krafft, Jean-Marc; Lauron-Pernot, Hélène

    2015-06-01

    Gas or liquid phase transesterification reactions are used in the field of biomass valorization to transform some platform molecules into valuable products. Basic heterogeneous catalysts are often claimed for these applications but the role of basicity in the reaction mechanism depending on the operating conditions is still under debate. In order to compare the catalyst properties necessary to perform a transesterification reaction both in liquid and gas phases, ethyl acetate and methanol, which can be easily processed both in these two phases, were chosen as reactants. The catalyst studied is MgO, known for its basic properties and its ability to perform the reaction. By means of appropriate thermal treatments, different kinds of MgO surfaces, with different coverages of natural adsorbates (carbonates and hydroxyls groups), can be prepared and characterized by means of CO2 adsorption followed by IR spectroscopy and hept-1-ene isomerization model reaction. New results on the basicity of the natural MgO surface (covered by carbonate and hydroxyl groups) are first given and discussed. The catalytic behavior in the transesterification reaction is then determined as a function of the adsorbate coverage. It is shown that the transesterification activity in the liquid phase is directly correlated with the kinetic basicity of the surface in agreement with the mechanism already proposed in the literature. On the reverse, no direct correlation with the basicity of the surface was established with the transesterification activity in the gas phase. A very high activity, in the gas phase, was observed and discussed for the natural surface pre-treated at 623 K. Preliminary DFT modeling of ester adsorption and methanol adsorption capacity determination were performed to investigate plausible reaction routes. PMID:25958788

  1. Low-current-density spin-transfer switching in Gd{sub 22}Fe{sub 78}-MgO magnetic tunnel junction

    SciTech Connect

    Kinjo, Hidekazu Machida, Kenji; Aoshima, Ken-ichi; Kato, Daisuke; Kuga, Kiyoshi; Kikuchi, Hiroshi; Shimidzu, Naoki; Matsui, Koichi

    2014-05-28

    Magnetization switching of a relatively thick (9 nm) Gd-Fe free layer was achieved with a low spin injection current density of 1.0 × 10{sup 6} A/cm{sup 2} using MgO based magnetic tunnel junction devices, fabricated for light modulators. At about 560 × 560 nm{sup 2} in size, the devices exhibited a tunneling magnetoresistance ratio of 7%. This low-current switching is mainly attributed to thermally assisted spin-transfer switching in consequence of its thermal magnetic behavior arising from Joule heating.

  2. Pressure dependence of harmonic and an harmonic lattice dynamics in MgO: A first-principles calculation and implications for lattice thermal conductivity

    SciTech Connect

    Tang, Xiaoli; Dong, Jianjun

    2009-06-01

    We report a recent first-principles calculation of harmonic and anharmonic lattice dynamics of MgO. The 2nd order harmonic and 3rd order anharmonic interatomic interaction terms are computed explicitly, and their pressure dependences are discussed. The phonon mode Grueneisen parameters derived based on our calculated 3rd order lattice anharmonicity are in good agreement with those estimated using the finite difference method. The implications for lattice thermal conductivity at high pressure are discussed based on a simple kinetic transport theory.

  3. In-beam Mössbauer spectroscopy of (57)Fe/(57)Mn in MgO and NaF at Heavy-Ion Medical Accelerator in Chiba.

    PubMed

    Kubo, M K; Kobayashi, Y; Yamada, Y; Mihara, M; Nagatomo, T; Sato, W; Miyazaki, J; Sato, S; Kitagawa, A

    2014-02-01

    Development of efficient ion supply of (58)Fe from (58)Fe(C5H5)2, and quick switching between therapy and material science at the Heavy-Ion Medical Accelerator in Chiba realized a new (57)Mn in-beam emission Mössbauer spectroscopy measurement system. Application to simple binary chemical compounds, MgO and NaF, proved the usefulness of the system to probe chemical and physical behaviors of trace impurities in solids. Annealing of lattice defects produced by the implantation and β-decay of (57)Mn and/or γ-ray emission recoil was observed by a local probe.

  4. Coadsorption of nitric oxide and carbon monoxide on the nickel clusters deposited onto MgO(111) film formed on Mo(110)

    NASA Astrophysics Data System (ADS)

    Magkoev, Tamerlan T.

    2004-10-01

    Coadsorption of NO and CO molecules on the Ni clusters deposited on MgO(111) film formed on a Mo(110) crystal has been studied by reflection-absorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD). It is found that adsorption of NO molecules strongly affects the state of CO molecules, which were initially adsorbed on the Ni clusters. The observed features in RAIRS and TPD spectra are attributed to the change of the CO adsorption site and geometry, which is induced by NO adsorption.

  5. Size effects on thin film ferroelectrics: Experiments on isolated single crystal sheets

    NASA Astrophysics Data System (ADS)

    Chang, L. W.; McMillen, M.; Morrison, F. D.; Scott, J. F.; Gregg, J. M.

    2008-09-01

    Thin lamellae were cut from bulk single crystal BaTiO3 using a focused ion beam microscope. They were then removed and transferred onto single crystal MgO substrates, so that their functional properties could be measured independent of the original host bulk ferroelectric. The temperature dependence of the capacitance of these isolated single crystal films was found to be strongly bulklike, demonstrating a sharp Curie anomaly, as well as Curie-Weiss behavior. In addition, the sudden change in the remanent polarization as a function of temperature at TC was characteristic of a first order phase change. The work represents a dramatic improvement on that previously published by Saad et al. [J. Phys.: Condens. Matter 16, L451 (2004)], as critical shortcomings in the original specimen geometry, involving potential signal contributions from bulk BaTiO3, have now been obviated. That the functional properties of single crystal thin film lamellae are comparable to bulk, and not like those of conventionally deposited heterogeneous thin film systems, has therefore been confirmed.

  6. The mechanism of corner instabilities in single-crystal thin films during dewetting

    NASA Astrophysics Data System (ADS)

    Zucker, Rachel V.; Kim, Gye Hyun; Ye, Jongpil; Carter, W. Craig; Thompson, Carl V.

    2016-03-01

    Dewetting is a well-known degradation mechanism for thin films at elevated temperatures. It is driven by surface energy minimization and occurs while the film is solid. The dewetting process is characterized by the formation of holes, retracting edges, and the formation of thickened rims on retracting edges. In anisotropic single-crystal thin films, holes are initially faceted. It is often observed that the corners of the holes retract faster than the edges of the hole, leading to dendritic or star-shaped holes. This so-called "corner instability" is one of the defining morphological characteristics of the dewetting process, and an understanding of this instability may lead to new film patterning techniques. In this work, we present a study of the growth of natural and patterned initially square holes in single-crystal Ni thin films on MgO substrates. A characteristic structure near the corners of the holes was observed, and a model for the growth of faceted holes was developed based on these observations. Despite its simplicity, the model reproduces the observed phenomenology and is in quantitative agreement with experiments. The model reveals that the corner instability arises from a redistribution of mass to create a new hole perimeter, which can only be created at the corner. The consequence is that the corner reaches a steady-state constant retraction rate while mass accumulation at the rims causes their retraction rate to continuously decrease.

  7. Thin-film coatings

    NASA Technical Reports Server (NTRS)

    Buckley, D. H.

    1980-01-01

    Thin, adherent, high density films are discussed with respect to their application in two plasma physics techniques (ion plating and sputtering). The operation of each technique is described as well as what surfaces can be coated, and what kind of materials can be applied. The effects of these films on the mechanical properties of solid surfaces are also discussed.

  8. Thin Lens Ray Tracing.

    ERIC Educational Resources Information Center

    Gatland, Ian R.

    2002-01-01

    Proposes a ray tracing approach to thin lens analysis based on a vector form of Snell's law for paraxial rays as an alternative to the usual approach in introductory physics courses. The ray tracing approach accommodates skew rays and thus provides a complete analysis. (Author/KHR)

  9. Treading on Thin Water.

    ERIC Educational Resources Information Center

    Haley, Richard D.

    1985-01-01

    Provides a simple introduction to animals whose habitat is the thin surface film of water. Describes adaptive mechanisms of water striders, whirlygigs and riffle bugs and suggests ways to observe them in the wild or as aquarium animals. Includes basic demonstrations of the nature of surface tension. (JHZ)

  10. Thin film photovoltaic cell

    DOEpatents

    Meakin, John D.; Bragagnolo, Julio

    1982-01-01

    A thin film photovoltaic cell having a transparent electrical contact and an opaque electrical contact with a pair of semiconductors therebetween includes utilizing one of the electrical contacts as a substrate and wherein the inner surface thereof is modified by microroughening while being macro-planar.

  11. Epitaxial thin films

    DOEpatents

    Hunt, Andrew Tye; Deshpande, Girish; Lin, Wen-Yi; Jan, Tzyy-Jiuan

    2006-04-25

    Epitatial thin films for use as buffer layers for high temperature superconductors, electrolytes in solid oxide fuel cells (SOFC), gas separation membranes or dielectric material in electronic devices, are disclosed. By using CCVD, CACVD or any other suitable deposition process, epitaxial films having pore-free, ideal grain boundaries, and dense structure can be formed. Several different types of materials are disclosed for use as buffer layers in high temperature superconductors. In addition, the use of epitaxial thin films for electrolytes and electrode formation in SOFCs results in densification for pore-free and ideal gain boundary/interface microstructure. Gas separation membranes for the production of oxygen and hydrogen are also disclosed. These semipermeable membranes are formed by high-quality, dense, gas-tight, pinhole free sub-micro scale layers of mixed-conducting oxides on porous ceramic substrates. Epitaxial thin films as dielectric material in capacitors are also taught herein. Capacitors are utilized according to their capacitance values which are dependent on their physical structure and dielectric permittivity. The epitaxial thin films of the current invention form low-loss dielectric layers with extremely high permittivity. This high permittivity allows for the formation of capacitors that can have their capacitance adjusted by applying a DC bias between their electrodes.

  12. Thin Wall Iron Castings

    SciTech Connect

    J.F. Cuttino; D.M. Stefanescu; T.S. Piwonka

    2001-10-31

    Results of an investigation made to develop methods of making iron castings having wall thicknesses as small as 2.5 mm in green sand molds are presented. It was found that thin wall ductile and compacted graphite iron castings can be made and have properties consistent with heavier castings. Green sand molding variables that affect casting dimensions were also identified.

  13. Altering the exchange bias in Co90Fe10/(Co,Fe)O bilayers by changing the antiferromagnet's magnetism via interfacial ion-beam bombardment and different single crystalline MgO substrates

    NASA Astrophysics Data System (ADS)

    Shueh, C.; Liu, C.-H.; Skoropata, E.; Wu, T.-H.; van Lierop, J.; Lin, K.-W.

    2013-05-01

    In this study, we investigated the exchange bias (coupling) effects in CoFe/(Co,Fe)O bilayers by using different single crystal substrates of MgO(100) and MgO(110) and Ar ion-beam bombardment on the surface of the bottom antiferromagnet (Co,Fe)O layer before capping with ferromagnet CoFe. In the CoFe/(Co,Fe)O/MgO(110) bilayer, above the irreversibility temperature (Tirr. ˜ 170 K), there was a rapid decrease in M(T) with increasing temperature, unlike the CoFe/(Co,Fe)O/MgO(100) film that showed an increased Tirr. ˜ 300 K and no observable decrease in M(T) above Tirr. The different M vs T zero-field-cooled/field-cooled behavior of the CoFe/(Co,Fe)O bilayers on MgO(100) and MgO(110) indicated that the FM CoFe spin orientations were affected by the different substrates used via exchange coupling to the AF (Co,Fe)O layer altered by MgO.

  14. Thin films for material engineering

    NASA Astrophysics Data System (ADS)

    Wasa, Kiyotaka

    2016-07-01

    Thin films are defined as two-dimensional materials formed by condensing one by one atomic/molecular/ionic species of matter in contrast to bulk three-dimensional sintered ceramics. They are grown through atomic collisional chemical reaction on a substrate surface. Thin film growth processes are fascinating for developing innovative exotic materials. On the basis of my long research on sputtering deposition, this paper firstly describes the kinetic energy effect of sputtered adatoms on thin film growth and discusses on a possibility of room-temperature growth of cubic diamond crystallites and the perovskite thin films of binary compound PbTiO3. Secondly, high-performance sputtered ferroelectric thin films with extraordinary excellent crystallinity compatible with MBE deposited thin films are described in relation to a possible application for thin-film MEMS. Finally, the present thin-film technologies are discussed in terms of a future material science and engineering.

  15. Modern Thin-Layer Chromatography.

    ERIC Educational Resources Information Center

    Poole, Colin F.; Poole, Salwa K.

    1989-01-01

    Some of the important modern developments of thin-layer chromatography are introduced. Discussed are the theory and instrumentation of thin-layer chromatography including multidimensional and multimodal techniques. Lists 53 references. (CW)

  16. Thin film solar cell workshop

    NASA Technical Reports Server (NTRS)

    Armstrong, Joe; Jeffrey, Frank

    1993-01-01

    A summation of responses to questions posed to the thin-film solar cell workshop and the ensuing discussion is provided. Participants in the workshop included photovoltaic manufacturers (both thin film and crystalline), cell performance investigators, and consumers.

  17. NMR characterization of thin films

    DOEpatents

    Gerald II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2010-06-15

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  18. NMR characterization of thin films

    DOEpatents

    Gerald, II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2008-11-25

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  19. Synthesis and characterization of TiO{sub 2}--MgO mixed oxides prepared by the sol-gel method

    SciTech Connect

    Lopez, T.; Hernandez, J.; Gomez, R.; Bokhimi, X.; Boldu, J.L.; Munoz, E.; Novaro, O.; Garcia-Ruiz, A.

    1999-08-31

    Titania-magnesia mixed oxides, with magnesia concentrations between 10 and 90 wt%, were prepared by using to sol-gel method with titanium n-butoxide and magnesium ethoxide as precursors. The mixed oxides were characterized with X-ray powder diffraction, BET nitrogen adsorption isotherms, electron spin resonance (ESR), and by testing their catalytic activity for 2-propanol and 2-butanol dehydration. Samples contained periclase, anatase, karooite (MgTi{sub 2}O{sub 5}), geikielite (MgTiO{sub 3}), and qandilite (Mg{sub 2}TiO{sub 4}). The BET specific surface area varied with magnesia concentration; the samples with 50 wt% MgO had the highest area, 211 m{sup 2}/g. Samples had paramagnetic centers that produced complex ESR spectra when many crystalline phases coexisted. For 2-propanol and 2-butanol decomposition, the activity and selectivity patterns of the mixed oxides were substantially different to those observed in pure TiO{sub 2} and pure MgO. This singular behavior should be a result of the structural defects created by the substitution of Mg{sup 2+} ions by Ti{sup 4+} cations in titania lattice, as well as by the interfaces created when several crystalline phases coexisted.

  20. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-10-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.