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Sample records for metal crystals fe

  1. Electrical, thermal and magnetic behaviour of the metallic glass Fe80B20 in the crystallization process

    Isalgue, A.; Cusido, J.A.

    1986-01-01

    The thermal, electrical DC conductivity and magnetic properties have been studied in the crystallization process of the metallic glass Fe 80 B 20 (Metglass 2605) induced by heat treatment. The electrical and thermal conductivity, the coercive force and the remanence are strongly affected with the crystallization of the glass. Two steps can be dicerned from the magnetic measurements; the differences between the two steps are interpreted in the basis of the ''spherulite-type'', grown of Fe 3 B in the first crystallization step and the aparition of Fe 2 B in the second step. (author)

  2. Kinetic Study of Crystallization Process in Fe32Ni36Cr14P12B6 Metallic Glass

    Lad, Kirit; Pratap, Arun; Rao, T. L. Shanker

    2010-01-01

    Kinetics of crystallization process in a Fe-based metallic glass 2826A (Fe 32 Ni 36 Cr 14 P 12 B 6 ) has been studied with the help of differential scanning calorimetry(DSC). It is found that the 2826A metallic glass exhibits two overlapping crystallization peaks. The activation energy for crystallization (E) and the Avrami exponent (n) for the two crystallization peaks have been obtained using the Kolmogorov-Jhonson-Mehl-Avrami (KJMA) equation. The so-obtained values of E and n have been utilized to derive normalized heat flow curves. It has been observed that the theoretical heat flow curves obtained using KJMA equation show large deviations from the experimental curves for the first peak whereas the curves are in very close agreement for the second peak. This suggests that kinetics of crystallization process during the first peak cannot be described correctly in KJMA formalism.

  3. Kinetic Study of Crystallization Process in Fe32Ni36Cr14P12B6 Metallic Glass

    Lad, Kirit; Rao, T. L. Shanker; Pratap, Arun

    2010-06-01

    Kinetics of crystallization process in a Fe-based metallic glass 2826A (Fe32Ni36Cr14P12B6) has been studied with the help of differential scanning calorimetry(DSC). It is found that the 2826A metallic glass exhibits two overlapping crystallization peaks. The activation energy for crystallization (E) and the Avrami exponent (n) for the two crystallization peaks have been obtained using the Kolmogorov-Jhonson-Mehl-Avrami (KJMA) equation. The so-obtained values of E and n have been utilized to derive normalized heat flow curves. It has been observed that the theoretical heat flow curves obtained using KJMA equation show large deviations from the experimental curves for the first peak whereas the curves are in very close agreement for the second peak. This suggests that kinetics of crystallization process during the first peak cannot be described correctly in KJMA formalism.

  4. Crystallization peculiarities in metallic glasses

    Serebryakov, A.V.; Abrosimova, G.E.; Aronin, A.S.

    1985-01-01

    Methods of X-ray electron microscopy and X-ray diffraction analysis were used to investigate the peculiarities of crystallization of amorphous metallic Fe-B and Fe-Si-B alloys related to sufficient change of volume when passing from amorphous to crystalline state and the effect of sample prehistory on its thermal stability and crystallization kinetics. The dependence of morphology of crystalline phases formed during crystallization of amorphous Fe-B alloys on sample thickness was revealed and investigated. The model explaining this dependence was suggested. The observed differences are related, according to the model, with different diffusion ways of ''poles'' - elementary carriers of empty volume to their sinks

  5. Pressure effect on crystallization of metallic glass Fe72P11C6Al5B4Ga2 alloy with wide supercooled liquid region

    Jiang, Jianzhong; Olsen, J. S.; Gerward, Leif

    2000-01-01

    The effect of pressure on the crystallization behavior of metallic glass Fe72P11C6Al5B4Ga2 alloy with a wide supercooled liquid region has been investigated by in situ high-pressure and high-temperature x-ray diffraction measurements using synchrotron radiation. In the pressure range from 0 to 2...... mobility and changes of the Gibbs free energy of various phases with pressure. ©2000 American Institute of Physics....

  6. Crystallization kinetics and magnetic properties of Fe{sub 66}Nb{sub 4}B{sub 30} bulk metallic glass

    Stoica, M., E-mail: m.stoica@ifw-dresden.d [IFW Dresden, Institute for Complex Materials, P.O. Box 270116, D-01171 Dresden (Germany); Kumar, S. [IFW Dresden, Institute for Complex Materials, P.O. Box 270116, D-01171 Dresden (Germany); Roth, S. [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany); Ram, S. [Materials Science Centre, Indian Institute of Technology, Kharagpur 721302 (India); Eckert, J. [IFW Dresden, Institute for Complex Materials, P.O. Box 270116, D-01171 Dresden (Germany); Vaughan, G. [European Synchrotron Radiation Facilities ESRF, 38402 Grenoble (France); Yavari, A.R. [LTPCM-CNRS, Institut National Politechnique de Grenoble, 1130 Rue de la Piscine, BP 75, Saint Martin d' Heres Campus 38402 (France)

    2009-08-26

    Fe-based bulk metallic glasses (BMGs) have a high application potential because of their unique soft magnetic properties, mechanical behaviour and high corrosion resistance. Also, they can be obtained directly in the final shape suitable for use as magnetic sensors, magnetic valves, magnetic clutches etc. in different devices. Fe-based alloys able to form magnetic BMGs are of the type transition metal-metalloid and often contain 5 or more elements. Usually, the metalloid content is around 20 at.%. Recently, a new Fe-based BMG containing only 3 elements and a very high boron content was synthesized. The preparation of this BMG was done by employing the copper mold casting method and using the fluxing technique. This new BMG is ferromagnetic, with a Curie temperature around 550 K and a saturation magnetization of 105 Am{sup 2}/kg. Differential scanning calorimetry (DSC) investigations revealed a reduced glass transition temperature of 0.55 and an extension of the supercooled liquid region of about 31 K, values which indicate a relatively good thermal stability. Despite of numerous studies about Fe-based BMGs, there is still a lack of data about the crystallization kinetics. Also, the intermediate metastable phases, which form upon crystallization from the amorphous state, as well as the mechanism of their formation, are not fully understood. The present work discusses the kinetics of the phase formation using the Kissinger analysis and Johnson-Mehl-Avrami plots, correlated with the results obtained upon X-ray diffraction (XRD) of samples with different metastable structures. Additionally, the magnetic behaviour of different phase(s) is presented.

  7. Crystallization in metglass: growth mechanism of crystals and radiation effects in Fe Ni P B

    Limoge, Y.; Barbu, A.

    1981-08-01

    Studying crystallization mechanisms and transport properties in amorphous metallic alloys we propose a model for systems wich are displaying eutectoid decomposition. Bringing together self diffusion, electron microscopy and electron irradiation experiments on a Fe Ni P B alloys we have shown that crystallization controlled by interfacial diffusion at the crystal surface can explain all the observed features of the experimental behaviour

  8. Magnetostriction of Tb-Dy-Fe crystals

    Mei Wu; Okane, T.; Umeda, T.

    1998-01-01

    left angle 111 right angle -oriented twin free Tb-Dy-Fe single crystals, left angle 112 right angle - and left angle 110 right angle -oriented twinned ''single'' Tb-Dy-Fe crystals were prepared using floating zone melting crystal growth methods. Magnetostrictive performances of the crystals were investigated. Better low-field properties were observed in the left angle 110 right angle twinned crystals than in the left angle 112 right angle crystals. The highest properties were achieved in the left angle 111 right angle twin free single crystals. Even though there were still oxidized particles in the present left angle 111 right angle single crystals, a large magnetostrictive jump of 1700 ppm and a very low saturation magnetic field of 500 Oe were obtained. To understand magnetization and magnetostriction of different Tb-Dy-Fe crystals, theoretical modeling was carried out based on a simplified domain rotation model. Magnetization moment rotation paths of different domains were simulated and hence the resultant magnetostriction was obtained, which could adequately account for the experimental results of different crystals. The limitation of the domain rotation model was also discussed. (orig.)

  9. Crystallization of amorphous Fe78Si9B13 alloy

    Jakubczyk, E; Krajczyk, A; Jakubczyk, M

    2007-01-01

    The crystallization process of Fe 78 Si 9 B 13 metallic glass was investigated by DSC, X-ray diffraction, electrical resistivity, Hall effect and TEM methods. The investigations proved two-stages crystallization. By means of non-isothermal DSC experiments the activation energy and the Avrami exponent were determined for both stages. The created phases: α-Fe(Si) and (Fe,Si) 2 B were identified on the basis of X-ray and TEM investigations. However, TEM observations showed also a little amount of the FeB 49 phase as well as some rest of the amorphous phase. The electrical and Hall resistivities decrease abruptly after the creation of the phases out of the amorphous matrix

  10. Strength anomaly in B2 FeAl single crystals

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  11. Crystallization of some amorphous metallic alloys studied by Moessbauer spectroscopy

    Sitek, J.; Miglierini, M.; Lipka, J.; Valko, P.; Toth, I.

    1990-01-01

    The present work provides an analysis of crystallization processes in amorphous metallic alloys Fe 80 Si 4 Cr 1.8 B 14 and Fe 67 Co 18 B 14 Si 1 . Crystallization of the first sample started at the temperature of 648 K. The fully crystalline state was observed after annealing at 748 K. We identified four sextets. One corresponds to crystalline Fe 2 B and the three others to FeSi solid solution with 10 at.% of Si. Crystallization of Fe 67 Co 18 B 14 Si 1 started at the temperature of 623 K. We identified two crystalline phases. The first may have its origin as (Fe 1-x Co x ) 3 B, the second one may correspond to a Fe-Co solid solution with a different Co content. (orig.)

  12. Fabrication and characterization of nanostructured Fe3S4, an isostructural compound of half-metallic Fe3O4

    Li, Peng; Xia, Chuan; Zhang, Qiang; Guo, Zaibing; Cui, Wenyao; Bai, Haili; Alshareef, Husam N.; Zhang, Xixiang

    2015-01-01

    High-purity, well-crystallized spinel Fe3S4 nanoplatelets were synthesized by the hydrothermal method, and the saturation magnetic moment of Fe3S4 was measured at 1.83 μB/f.u. The temperature-dependent resistivity of Fe3S4 was metallic

  13. Crystal structure of Fe2TiO5

    Shiojiri, M.; Sekimoto, S.; Maeda, T.; Ikeda, Y.; Iwauchi, K.

    1984-01-01

    The crystal structure of metal pseudobrookite, Fe 2 TiO 5 , is determined from high-resolution electron microscopy images observed and their computer simulated images, with the aid of electron diffraction and X-ray powder diffraction. The new structure has a monoclinic unit, containing eight molecules, with a = 2.223, b = 0.373, c = 0.980 nm, and β = 116.2 0 . The Fe, Ti, and O atoms occupy the positions (4c), +-(u, 0, w; 1/2 + u, 1/2, w), of C 2 3 (C2). The most probable parameters u and w, of Fe(1 to 4), Ti(1, 2), and O(1 to 10) are given. (author)

  14. Catalyzed hydrogenation of nitrogen and ethylene on metal (Fe, Pt) single crystal surfaces and effects of coadsorption: A sum frequency generation vibrational spectroscopy study

    Westerberg, Staffan Per Gustav [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    High-pressure catalytic reactions and associated processes, such as adsorption have been studied on a molecular level on single crystal surfaces. Sum Frequency Generation (SFG) vibrational spectroscopy together with Auger Electron Spectroscopy (AES), Temperature Programmed Desorption (TPD) and Gas Chromatography (GC) were used to investigate the nature of species on catalytic surfaces and to measure the catalytic reaction rates. Special attention has been directed at studying high-pressure reactions and in particular, ammonia synthesis in order to identify reaction intermediates and the influence of adsorbates on the surface during reaction conditions. The adsorption of gases N2, H2, O2 and NH3 that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH2 (~3325 cm-1) and NH (~3235 cm-1) under high pressure of ammonia (200 Torr) on the clean Fe(111) surface. Addition of 0.5 Torr of oxygen to 200 Torr of ammonia does not significantly change the bonding of dissociation intermediates to the surface. However, it leads to a phase change of nearly 180° between the resonant and non-resonant second order non-linear susceptibility of the surface, demonstrated by the reversal of the SFG spectral features. Heating the surface in the presence of 200 Torr ammonia and 0.5 Torr oxygen reduces the oxygen coverage, which can be seen from the SFG spectra as another relative phase change of 180°. The reduction of the oxide is also supported by Auger electron spectroscopy. The result suggests that the phase change of the spectral features could serve as a sensitive indicator of the chemical environment of the adsorbates.

  15. Crystallization of amorphous pseudobinary alloys of the type (Fe1-x Nix)80 B20

    Vasconcellos, M.A.Z.; Baibich, M.N.

    1984-01-01

    It was studied the crystallization of amorphous metallic ribbons of Fe 1-x Ni x 80 B 2 0 using the method of isochronous heating at variable slopes. The crystallization temperatures were determined from the transition observed in the electrical resistivity. (M.W.O.) [pt

  16. Creep recovery of metallic glass Fe-Ni-B after longtime stress-annealing

    Jurikova, A; Csach, K; Miskuf, J; Ocelik, Vaclav

    2004-01-01

    The creep strain recovery of magnetic soft material - amorphous metallic glass Fe-Ni-B after a longtime stress-annealing at different temperatures below the crystallization temperature was described using differential scanning calorimetry and dilatometry. Several deformation energy accumulations

  17. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-10-01

    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  18. Surface characterization of amorphous and crystallized Fe 80B 20

    Huntley, D. R.; Overbury, S. H.; Zehner, D. M.; Budai, J. D.; Brower, W. E.

    1986-11-01

    Recent studies of catalysis by amorphous metals have prompted an interest in their surface properties. We have utilized Auger electron spectroscopy, X-ray photoelectron spectroscopy and low energy alkali ion scattering to study the surface composition, electronic properties and topography of amorphous and crystallized Fe 80B 20 ribbons. The majorresults are that the surface stoichiometry is approximately that of the bulk, unaltered by segregation. Bulk crystallization results in the diffusion of impurities to the surface, but does not change the Fe/B ratio. A small shift in the B1s core level binding energy was observed on crystalline, annealed surfaces relative to amorphous or sputtered surfaces, but no shifts were observed in the iron core level energies. A weak feature due to the B2p levels was observed in the valence band spectra from sputtered surfaces. The surfaces exhibit atomic scale roughness which is not altered by bulk crystallization. Finally, there were no observable differences in the structure, composition or electronic properties between the two sides of the ribbons.

  19. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe 12 O 19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

  20. Fabrication and characterization of nanostructured Fe3S4, an isostructural compound of half-metallic Fe3O4

    Li, Peng

    2015-06-10

    High-purity, well-crystallized spinel Fe3S4 nanoplatelets were synthesized by the hydrothermal method, and the saturation magnetic moment of Fe3S4 was measured at 1.83 μB/f.u. The temperature-dependent resistivity of Fe3S4 was metallic-like for T < 180 K: room-temperature resistivity was measured at 7.711 × 103  μΩ cm. The anomalous Hall conductivity of Fe3S4 decreased with increasing longitudinal conductivity, in sharp contrast with the accepted theory of the anomalous Hall effect in a dirty-metal regime. Furthermore, negligible spin-dependent magnetoresistance was observed. Band structure calculations confirmed our experimental observations that Fe3S4 is a metal and not a half metal as expected.

  1. Crystallization of Fe83B17 amorphous alloy by electric pulses produced by a capacitor discharge

    Georgarakis, Konstantinos; Dudina, Dina V.; Mali, Vyacheslav I.; Anisimov, Alexander G.; Bulina, Natalia V.; Moreira Jorge, Alberto Jr.; Yavari, Alain R.

    2015-01-01

    Heating of conductive materials by electric current is used in many technological processes. Application of electric pulses to metallic glasses induces their fast crystallization, which is an interesting and complex phenomenon. In this work, crystallization of the Fe 83 B 17 amorphous alloy induced by pulses of electric current produced has been studied using X-ray diffraction and transmission electron microscopy. Ribbons of the alloy were directly subjected to single pulses of electric current 250 μs long formed by a capacitor discharge. As the value of ∫I 2 dt was increased from 0.33 to 2.00 A 2 s, different crystallization stages could be observed. The crystallization began through the formation of the nuclei of α-Fe. At high values of ∫I 2 dt, α-Fe and tetragonal and orthorhombic Fe 3 B and Fe 23 B 6 were detected in the crystallized ribbons with crystallites of about 50 nm. Thermal annealing of the ribbons at 600 C for 2 min resulted in the formation of α-Fe and tetragonal Fe 3 B. It was concluded that pulses of electric current produced by a capacitor discharge induced transformation of the Fe 83 B 17 amorphous phase into metastable crystalline products. (orig.)

  2. Preparation, thermal stability, and magnetic properties of Fe-Zr-Mo-W-B bulk metallic glass

    Liu, D.Y.; Sun, W.S.; Wang, A.M.; Zhang, H.F.; Hu, Z.Q.

    2004-01-01

    A bulk metallic glass (BMG) cylinder of Fe 60 Co 8 Zr 10 Mo 5 W 2 B 15 with a diameter of 1.5 mm was prepared by copper mould casting of industrial raw materials. The amorphous state and the crystallization behavior were investigated by X-ray diffraction (XRD). The thermal stability parameters, such as glass transition temperature (T g ), crystallization temperature (T x ), supercooled liquid region (ΔT x ) between T g and T x , and reduced glass transition temperature T rg (T g /T m ) were measured by differential scanning calorimetry (DSC) to be 891, 950, 59 K, and 0.62, respectively. The crystallization process took place through a single stage, and involved crystallization of the phases α-Fe, ZrFe 2 , Fe 3 B, MoB 2 , Mo 2 FeB 2 , and an unknown phase, as determined by X-ray analysis of the sample annealed for 1.5 ks at 1023 K, 50 K above the DSC peak temperature of crystallization. Moessbauer spectroscopy was studied for this alloy. The spectra exhibit a broadened and asymmetric doublet-like structure that indicated paramagnetic behavior and a fully amorphous structure. α-Fe was found in the amorphous matrix for a cylinder with a diameter of 2.5 mm. The success of synthesis of the Fe-based bulk metallic glass from industrial materials is important for the future progress in research and practical application of new bulk metallic glasses

  3. Crystal structure and X-ray photoelectron spectroscopy study of the transition-metal oxides LaFe sub 1 sub - sub x Cr sub x O sub 3

    Chen Zhi Gang; Yu Jun; Ibrahim, K; Dong Yu Hui; Wu Zi Yu; Wei Long; Wang Yu Tian

    2002-01-01

    LaFe sub 1 sub - sub x Cr sub x O sub 3 systematic compounds were prepared by Cr sup 3 sup + doping into the end component LaFeO sub 3. The crystal constants have been evaluated by using MarqX code. The analysis of the XRD data confirms that the perovskite compounds are in their single-phase state. The authors have also performed O 1s core-level photoemission experiments using photon energies above and below Fe 2p absorption edge, respectively, in order to investigate the crystal structure variation trend in terms of electronic structure. A preliminary conclusion has been drawn that the charge transfer amount from 0 2p to Cr 3d varies regularly with the doping level of Cr sup 3 sup + in LaFe sub 1 sub - sub x Cr sub x O sub 3

  4. Effects of metal ions on the reactivity and corrosion electrochemistry of Fe/FeS nanoparticles.

    Kim, Eun-Ju; Kim, Jae-Hwan; Chang, Yoon-Seok; Turcio-Ortega, David; Tratnyek, Paul G

    2014-04-01

    Nano-zerovalent iron (nZVI) formed under sulfidic conditions results in a biphasic material (Fe/FeS) that reduces trichloroethene (TCE) more rapidly than nZVI associated only with iron oxides (Fe/FeO). Exposing Fe/FeS to dissolved metals (Pd(2+), Cu(2+), Ni(2+), Co(2+), and Mn(2+)) results in their sequestration by coprecipitation as dopants into FeS and FeO and/or by electroless precipitation as zerovalent metals that are hydrogenation catalysts. Using TCE reduction rates to probe the effect of metal amendments on the reactivity of Fe/FeS, it was found that Mn(2+) and Cu(2+) decreased TCE reduction rates, while Pd(2+), Co(2+), and Ni(2+) increased them. Electrochemical characterization of metal-amended Fe/FeS showed that aging caused passivation by growth of FeO and FeS phases and poisoning of catalytic metal deposits by sulfide. Correlation of rate constants for TCE reduction (kobs) with electrochemical parameters (corrosion potentials and currents, Tafel slopes, and polarization resistance) and descriptors of hydrogen activation by metals (exchange current density for hydrogen reduction and enthalpy of solution into metals) showed the controlling process changed with aging. For fresh Fe/FeS, kobs was best described by the exchange current density for activation of hydrogen, whereas kobs for aged Fe/FeS correlated with electrochemical descriptors of electron transfer.

  5. Fabrication of γ-Fe2O3 Nanoparticles by Solid-State Thermolysis of a Metal-Organic Framework, MIL-100(Fe, for Heavy Metal Ions Removal

    Shengtao Hei

    2014-01-01

    Full Text Available Porous γ-Fe2O3 nanoparticles were prepared via a solid-state conversion process of a mesoporous iron(III carboxylate crystal, MIL-100(Fe. First, the MIL-100(Fe crystal that served as the template of the metal oxide was synthesized by a low-temperature (<100°C synthesis route. Subsequently, the porous γ-Fe2O3 nanoparticles were fabricated by facile thermolysis of the MIL-100(Fe powders via a two-step calcination treatment. The obtained γ-Fe2O3 was characterized by X-ray diffraction (XRD, N2 adsorption, X-ray photoelectron spectroscopy (XPS, and scanning electron microscopy (SEM techniques, and then used as an adsorbent for heavy metal ions removal in water treatment. This study illustrates that the metal-organic frameworks may be suitable precursors for the fabrication of metal oxides nanomaterials with large specific surface area, and the prepared porous γ-Fe2O3 exhibits a superior adsorption performance for As(V and As(III ions removal in water treatment.

  6. BiFeO3 Crystal Structure at Low Temperatures

    Palewicz, A.; Sosnowska, I.; Przenioslo, R.; Hewat, A.W.

    2010-01-01

    The crystal and magnetic structure of BiFeO 3 have been studied with the use of high resolution neutron diffraction between 5 K and 300 K. The atomic coordinates in BiFeO 3 are almost unchanged between 5 K and 300 K. (authors)

  7. Strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy

    Shi, Guodong; Chen, Xiaohua; Jiang, Han; Wang, Zidong; Tang, Hao; Fan, Yongquan

    2015-01-01

    A single crystal Cu–Fe alloy with finely dispersed precipitate Fe nanoparticles was fabricated in this study. The interface relationship of iron nanoparticle and copper matrix was analyzed with a high-resolution transmission electron microscope (HRTEM), and the effect of Fe nanoparticles on mechanical properties of single crystal Cu–Fe alloy was discussed. Results show that, the finely dispersed Fe nanoparticles can be obtained under the directional solidification condition, with the size of 5–50 nm and the coherent interface between the iron nanoparticle and the copper matrix. Single crystal Cu–Fe alloy possesses improved tensile strength of 194.64 MPa, and total elongation of 44.72%, respectively, at room temperature, in contrast to pure Cu sample. Nanoparticles which have coherent interface with matrix can improve the dislocation motion state. Some dislocations can slip through the nanoparticle along the coherent interface and some dislocations can enter into the nanoparticles. Thus to improve the tensile strength of single crystal Cu–Fe alloy without sacrificing the ductility simultaneously. Based on the above analyses, strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy was described

  8. Stability of (Fe-Tm-B) amorphous alloys: relaxation and crystallization phenomena

    Zemcik, T.

    1994-01-01

    Fe-Tm-B base (TM = transition metal) amorphous alloys (metallic glasses) are thermodynamically metastable. This limits their use as otherwise favourable materials, e.g. magnetically soft, corrosion resistant and mechanically firm. By analogy of the mechanical strain-stress dependence, at a certain degree of thermal activation the amorphous structure reaches its limiting state where it changes its character and physical properties. Relaxation and early crystallization processes in amorphous alloys, starting already around 100 C, are reviewed involving subsequently stress relief, free volume shrinking, topological and chemical ordering, pre-crystallization phenomena up to partial (primary) crystallization. Two diametrically different examples are demonstrated from among the soft magnetic materials: relaxation and early crystallization processes in the Fe-Co-B metallic glasses and controlled crystallization of amorphous ribbons yielding rather modern nanocrystalline ''Finemet'' alloys where late relaxation and pre-crystallization phenomena overlap when forming extremely dispersive and fine-grained nanocrystals-in-amorphous-sauce structure. Moessbauer spectroscopy seems to be unique for magnetic and phase analysis of such complicated systems. (orig.)

  9. Formation of a metallic glass by thermal decomposition of Fe(CO)5

    Wonterghem, Jacques van; Mørup, Steen; Charles, Stuart W.

    1985-01-01

    Iron pentacarbonyl has been thermally decomposed in an organic liquid. Mössbauer spectroscopy and x-ray diffraction studies show that the sample contains small particles of a metallic glass. Annealing of the particles at 523 K results in crystallization of the particles into a mixture of α-Fe and χ......-Fe5C2. The mechanism of glass formation is discussed....

  10. Crystallization characteristics of amorphous alloys of FeZr

    Rozhan, M. Idrus; Grundy, P.J.

    1993-01-01

    The crystallization characteristics of sputter-deposited amorphous alloys of Fe 100-x Zr x prepared at zirconium concentrations between 9 and 89 at.% was investigated. The transformation of the alloys from the amorphous to the crystalline state has been examined by thermal analysis, electrical resistance and X-ray diffraction. The crystallization temperatures were determined by differential scanning calorimetry (DSC) and electrical resistance as a function of temperature. The final phases were determined by X-ray diffraction. The activation energies were calculated from the Kissinger plots and the heats of crystallization were calculated and correlations between the thermal analysis and the resistance results are presented

  11. Magnetic measurements of superconducting LiFeAs single crystals under high pressure

    Miyoshi, Kiyotaka; Otsuka, Keisuke; Ogawa, Saki; Takeuchi, Jun

    2018-05-01

    Measurements of DC magnetization for single crystal specimens of LiFeAs have been performed under pressure using liquid argon and NaCl as pressure transmitting media (PTM) to generate hydrostatic and nearly uniaxial pressure along c-axis, respectively. It has been found that Tc linearly decreases under pressure with pressure coefficient dTc / dP ∼ - 1.6 - 1.7 K/GPa, and then shows a pressure independent behavior with Tc ∼ 8 K above 5 GPa. These behaviors are observed independently of whether we select liquid argon or NaCl as PTM. This suggests that c-axis lattice constant is not an important factor to determine Tc in LiFeAs, in contrast to KxFe2-ySe2 and (NH3)yAxFe2Se2 (A=alkali metal).

  12. Crystal growth, electronic structure, and properties of Ni-substituted FeGa{sub 3}

    Likhanov, Maxim S. [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Verchenko, Valeriy Yu. [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); National Institute of Chemical Physics and Biophysics, 12618 Tallinn (Estonia); Bykov, Mikhail A. [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Tsirlin, Alexander A. [National Institute of Chemical Physics and Biophysics, 12618 Tallinn (Estonia); Experimental Physics VI, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, 86135 Augsburg (Germany); Gippius, Andrei A. [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Shubnikov Institute of Crystallography, Russian Academy of Science, 119333, Moscow (Russian Federation); Berthebaud, David; Maignan, Antoine [Laboratoire CRISMAT, UMR 6508 CNRS/ENSICAEN, F-14050 CAEN Cedex 4 (France); Shevelkov, Andrei V., E-mail: shev@inorg.chem.msu.ru [Department of Chemistry, Lomonosov Moscow State University, Moscow 119991 (Russian Federation)

    2016-04-15

    Crystals of the Fe{sub 1−x}Ni{sub x}Ga{sub 3} limited solid solution (x<0.045) have been grown from gallium flux. We have explored the electronic structure as well as magnetic and thermoelectric properties of Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} in comparison with Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, following the rigid band approach and assuming that one Ni atom donates twice the number of electrons as one Co atom. However, important differences between the Co- and Ni-doped compounds are found below 620 K, which is the temperature of the metal-to-insulator transition for both compounds. We have found that Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} displays lower degree of spatial inhomogeneity on the local level and exhibits diamagnetic behavior with a broad shallow minimum in the magnetic susceptibility near 35 K, in sharp contrast with the Curie–Weiss paramagnetism of Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}. Transport measurements have shown the maximum of the thermoelectric figure-of-merit ZT of 0.09 and 0.14 at 620 K for Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} and Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, respectively. - Graphical abstract: Crystals of Ni-substituted FeGa{sub 3} up to 8 mm long were grown from gallium flux (see Figure for the temperature profile and crystal shape) that allowed studying magnetic and thermoelectric properties of the title solid solution.

  13. Crystallization behavior and magnetic properties in High Fe content FeBCSiCu alloy system

    Fan, X.D., E-mail: fanxd@seu.edu.cn; Shen, B.L., E-mail: blshen@seu.edu.cn

    2015-07-01

    High Fe content FeBCSiCu nanocrystalline alloys are prepared by annealing melt-spun amorphous ribbons with aim at increasing saturation magnetic flux density. Microstructures identified by XRD and TEM reveal that Cu addition inhibits the surface crystallization of Fe{sub 86}B{sub 7}C{sub 7} alloy and improve its glass-forming ability. Activation energy of crystallization calculated by Kissinger's equation indicates that both Cu and Si addition promotes the precipitation of α-Fe phase and improves the thermal stability. VSM and DC B–H loop tracer measurements show that the Fe{sub 85.5}B{sub 7}C{sub 6}Si{sub 1}Cu{sub 0.5} nanocrystalline alloy exhibits high saturation magnetic flux density of 1.8 T and low coercivity of 10 A/m, respectively. AC properties measured by AC B–H analyzer show this alloy exhibits low core loss of 0.35 W/kg at 1 T at 50 Hz. Low material cost and convenient productivity make the Fe{sub 85.5}B{sub 7}C{sub 6}Si{sub 1}Cu{sub 0.5} nanocrystalline alloy an economical application in industry. - Highlights: • Cu addition inhibits the surface crystallization and improves the GFA. • The competitive formation of Fe{sub 3}C and α-Fe phase impedes the devitrification. • Fe{sub 85.5}B{sub 7}C{sub 6}Si{sub 1}Cu{sub 0.5} nanocrystalline alloy exhibits excellent magnetic properties. • The alloy system has an economical advantage and convenient productivity.

  14. Magnetism and superconductivity in CeFe2-xTxAs2 (T = Co and Ni) single crystals

    Thamizhavel, A.

    2010-01-01

    Single crystals of pure and transition metal doped CaFe 2- x T x As 2 (T = Co and Ni) have been grown by flux method using molten Sn as solvent. The magnetic and superconducting properties of the grown crystals were studied by measuring the electrical resistivity, magnetic susceptibility and neutron diffraction measurements. A spin density wave (SDW)/structural transition is observed at 170 K for the pure CaFe 2 As 2 single crystal and it gets suppressed with T (Co and Ni) doping. For an optimum dopant concentration of x = 0.06, the sample becomes superconducting. From the detailed studies on CaFe 2- x Ni x As 2 single crystals we have constructed a magnetic phase diagram. (author)

  15. Crystal structure and crystal growth of the polar ferrimagnet CaBaFe4O7

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

    2018-05-01

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

  16. Investigating Planetesimal Evolution by Experiments with Fe-Ni Metallic Melts: Light Element Composition Effects on Trace Element Partitioning Behavior

    Chabot, N. L.

    2017-12-01

    As planetesimals were heated up in the early Solar System, the formation of Fe-Ni metallic melts was a common occurrence. During planetesimal differentiation, the denser Fe-Ni metallic melts separated from the less dense silicate components, though some meteorites suggest that their parent bodies only experienced partial differentiation. If the Fe-Ni metallic melts did form a central metallic core, the core eventually crystallized to a solid, some of which we sample as iron meteorites. In all of these planetesimal evolution processes, the composition of the Fe-Ni metallic melt influenced the process and the resulting trace element chemical signatures. In particular, the metallic melt's "light element" composition, those elements present in the metallic melt in a significant concentration but with lower atomic masses than Fe, can strongly affect trace element partitioning. Experimental studies have provided critical data to determine the effects of light elements in Fe-Ni metallic melts on trace element partitioning behavior. Here I focus on combining numerous experimental results to identify trace elements that provide unique insight into constraining the light element composition of early Solar System Fe-Ni metallic melts. Experimental studies have been conducted at 1 atm in a variety of Fe-Ni systems to investigate the effects of light elements on trace element partitioning behavior. A frequent experimental examination of the effects of light elements in metallic systems involves producing run products with coexisting solid metal and liquid metal phases. Such solid-metal-liquid-metal experiments have been conducted in the Fe-Ni binary system as well as Fe-Ni systems with S, P, and C. Experiments with O-bearing or Si-bearing Fe-Ni metallic melts do not lend themselves to experiments with coexisting solid metal and liquid metal phases, due to the phase diagrams of these elements, but experiments with two immiscible Fe-Ni metallic melts have provided insight into

  17. Crystallization of the amorphous Fe80Zr12B8 alloy under controlled heating

    Huang, H.; Shao, G.; Tsakiropoulos, P.

    2008-01-01

    The devitrification process of amorphous Fe 80 Zr 12 B 8 alloy ribbons were studied under controlled thermal conditions. The major crystallization event during continuous heating with differential scanning calorimetory (DSC) is dictated by diffusion controlled growth and the associated atom mobility of the slow diffusing species Zr. The existence of prior nano-crystals formed by pre-annealing below the crystallization temperature had little effect on the major crystallization temperature. The crystallization sequence during heating was: amorphous → amorphous + α-Fe + Fe 3 Zr(B) → amorphous + α-Fe + Fe 3 Zr(B) + Fe 2 Zr. Different from previous findings in alloys of lower Zr and B contents, the peak for the crystallization of the α-Fe phase alone is missing in the DSC traces of this alloy

  18. Tensile behavior of laser treated Fe-Si-B metallic glass

    Joshi, Sameehan S.; Samimi, Peyman; Ghamarian, Iman; Katakam, Shravana; Collins, Peter C.; Dahotre, Narendra B., E-mail: narendra.dahotre@unt.edu [Department of Materials Science and Engineering, University of North Texas, 1150 Union Circle 305310, Denton, Texas 76203-5017 (United States)

    2015-10-28

    Fe-Si-B metallic glass foils were treated with a linear laser track using a continuous wave Nd-YAG laser and its effect on the overall tensile behavior was investigated. Microstructure and phase evolutions were evaluated using X-ray diffraction, resistivity measurements, and transmission electron microscopy. Crystallization fraction was estimated via the differential scanning calorimetry technique. Metallic glass foils treated with the lower laser fluences (<0.49 J/mm{sup 2}) experienced structural relaxation, whereas higher laser fluences led to crystallization within the laser treated region. The overall tensile behavior was least impacted by structural relaxation, whereas crystallization severely reduced the ultimate tensile strength of the laser treated metallic glass foils.

  19. Crystallization study of amorphous system Fe84-xWxB16 (x = 3;5)

    Novakova, A.A.; Sidorova, G.V.; Kiseleva, T.Yu.; Szasz, A.

    1992-01-01

    A complex study of the crystallization process of the amorphous system was carried out by Moessbauer spectroscopy, X-ray diffraction and DTA. Alloy samples crystallized at 600deg C contain the following phases: α-Fe, Fe 3 B and solid solution (Fe, W) 3 B. (orig.)

  20. Synthesis of Fe-Al nanoparticles by hydrogen plasma-metal reaction

    Liu Tong; Li Xing Guo

    2003-01-01

    Fe-Al nanoparticles of eight kinds have been prepared by hydrogen plasma-metal reaction. The morphology, crystal structure, and chemical composition of the nanoparticles obtained were investigated by transmission electron microscopy (TEM), x-ray diffractometry (XRD), and induction-coupled plasma spectroscopy. The particle size was determined by TEM and Brunaumer-Emmet-Teller gas adsorption. It was found that all the nanoparticles have spherical shapes, with average particle size in the range of 29-46 nm. The oxide layer in nanoparticles containing Al after passivation is not observable by XRD and TEM. The Al contents in Fe-Al ultrafine particles are about 1.2-1.5 times those in the master alloys. The evaporation speeds of Al and Fe in Fe-Al alloys are mutually accelerated at a certain composition. The crystal structures of the Fe-Al nanoparticles vary with the composition of the master alloys. Pure Fe sub 3 Al (D0 sub 3) and FeAl (B2) structures are successfully produced with 15 and 25 at.% Al in bulks, respe...

  1. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) with Th7Fe3-type structure

    Misse, Patrick R. N.; Mbarki, Mohammed; Fokwa, Boniface P. T.

    2012-08-01

    Powder samples and single crystals of the new complex boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th7Fe3 structure type (space group P63mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region.

  2. Time evolution of absorption process in nonlinear metallic photonic crystals

    Singh, Mahi R.; Hatef, Ali [Department of Physics and Astronomy, University of Western Ontario, London (Canada)

    2009-05-15

    The time evolution of the absorption coefficient in metallic photonic crystals has been studied numerically. These crystals are made from metallic spheres which are arranged periodically in air. The refractive index of the metallic spheres depends on the plasma frequency. Probe and pump fields are applied to monitor the absorption process. Ensembles of three-level particles are embedded in the crystal. Nanoparticles are interacting with the metallic crystals via the electron-photon interaction. It is found that when the resonance states lie away from the band edges system goes to transparent state. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Vitrification and Crystallization of Phase-Separated Metallic Liquid

    Yun Cheng

    2017-02-01

    Full Text Available The liquid–liquid phase separation (LLPS behavior of Fe50Cu50 melt from 3500 K to 300 K with different rapid quenching is investigated by molecular dynamics (MD simulation based on the embedded atom method (EAM. The liquid undergoes metastable phase separation by spinodal decomposition in the undercooled regime and subsequently solidifies into three different Fe-rich microstructures: the interconnected-type structure is kept in the glass and crystal at a higher cooling rate, while the Fe-rich droplets are found to crystalize at a lower cooling rate. During the crystallization process, only Fe-rich clusters can act as the solid nuclei. The twinning planes can be observed in the crystal and only the homogeneous atomic stacking shows mirror symmetry along the twinning boundary. Our present work provides atomic-scale understanding of LLPS melt during the cooling process.

  4. Electrical resistivity in Zr48Nb8Cu12Fe8Be24 glassy and crystallized alloys

    Bai, H. Y.; Tong, C. Z.; Zheng, P.

    2004-02-01

    The electrical resistivity of Zr48Nb8Cu12Fe8Be24 bulk metallic glassy and crystallized alloys in the temperature range of 4.2-293 K is investigated. It is found that the resistivity in glassy and crystallized states shows opposite temperature coefficients. For the metallic glass, the resistivity shows a negative logarithmic dependence at temperatures below 16 K, whereas it has more normal behavior for the crystallized alloy. At higher temperatures, the resistivity in both glassy and crystallized alloys shows dependence upon both T and T2, but the signs of the T and T2 terms are opposite. The results are interpreted in terms of scattering from two-level tunneling states in glasses and the generalized Ziman diffraction model.

  5. Damage induced by helium ion irradiation in Fe-based metallic glass

    Zhang, Xiaonan; Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn; Zhang, Qi; Li, Xiaona; Qiang, Jianbing; Wang, Younian

    2017-07-15

    The changes in structure and surface morphology of metallic glasses Fe{sub 80}Si{sub 7.43}B{sub 12.57} and Fe{sub 68}Zr{sub 7}B{sub 25} before and after the irradiation of He ions with the energy of 300 keV were investigated, and were compared with that of the tungsten. The results show that after the He{sup 2+} irradiation, metallic glass Fe{sub 68}Zr{sub 7}B{sub 25} still maintained amorphous. While a small amount of metastable β-Mn type phase nanocrystals formed in metallic glass Fe{sub 80}Si{sub 7.43}B{sub 12.57} at the fluence of 4.0 × 10{sup 17}ions/cm{sup 2} (19dpa). The nanocrystals transformed into α-Fe phase and tetragonal Fe{sub 2}B phase as the fluence increased to 1.0 × 10{sup 18}ions/cm{sup 2} (47dpa). Then the new orthogonal Fe{sub 3}B phase and β-Mn type phase nanocrystals appeared when the fluence increased further, and the quantities of nanocrystals increased. Blisters and cracks appeared on the surface of tungsten under the irradiation fluence of 1.0 × 10{sup 18}ions/cm{sup 2}, however only when the fluence was up to 1.6 × 10{sup 18}ions/cm{sup 2}, could cracks and spalling appear on the surfaces of metallic glasses. - Highlights: •Metallic glass Fe{sub 68}Zr{sub 7}B{sub 25} could maintain amorphous state after the irradiation. •A series of crystallization behaviors occurred in metallic glass Fe{sub 80}Si{sub 7.43}B{sub 12.57}. •The surface of tungsten appeared blisters at the fluence of 1.0 × 10{sup 18} ions/cm{sup 2}. •Surfaces of Fe-based metallic glasses cracked at the fluence of 1.6 × 10{sup 18}ions/cm{sup 2}.

  6. Mössbauer and Kerr microscopy investigation of crystallization in FeCoB ribbons

    Reddy, V. Raghavendra, E-mail: varimalla@yahoo.com, E-mail: vrreddy@csr.res.in; Hussain, Zaineb; Babu, Hari [UGC DAE Consortium for Scientific Research, University Campus, Kandhwa Road, Indore-452001 India (India); Shrivastava, Namrata [School of Physics, DAVV, Khandwa Road, Indore – 452001 India (India); Gupta, Ajay [Amity Centre for Spintronic Materials, Amity University, Noida 201303.India (India)

    2016-05-23

    The present work reports the crystallization study of amorphous FeCoB ribbons using x-ray diffraction, {sup 57}Fe Mössbauer spectroscopy in transmission mode and magneto-optical Kerr (MOKE) microscopy. Annealing at 673 K is found to result in crystallization. From the Mossbauer measurements it is observed that the Fe magnetic moments are in the plane of sample for as-cast ribbon; α-FeCo, (Fe{sub 0.5}Co{sub 0.5}){sub 2}B and Fe{sub 2}B phases are formed after crystallization. MOKE microscopy revealed that wide 180° domain walls & narrow fingerprint domains are observed before crystallization and fine domains are observed after crystallization. The results are explained in terms of the presence of internal stresses and their annealing with thermal heat treatment.

  7. Nonreciprocity of spin waves in metallized magnonic crystal

    Mruczkiewicz, M; Krawczyk, M; Gubbiotti, G; Tacchi, S; Filimonov, Yu A; Kalyabin, D V; Lisenkov, I V; Nikitov, S A

    2013-01-01

    The nonreciprocal properties of spin waves in metallized one-dimensional bi-component magnonic crystal composed of two materials with different magnetizations are investigated numerically. Nonreciprocity leads to the appearance of indirect magnonic band gaps for magnonic crystals with both low and high magnetization contrast. Specific features of the nonreciprocity in low contrast magnonic crystals lead to the appearance of several magnonic band gaps located within the first Brillouin zone for waves propagating along the metallized surface. Analysis of the spatial distribution of dynamic magnetization amplitudes explains the mechanism of dispersion band formation and hybridization between magnonic bands in magnonic crystals with metallization. (paper)

  8. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  9. Measurements on very small single crystals of NdFeB using a vibrating reed magnetometer

    Richter, H.J.; Hempel, K.A.; Verhoef, R.

    1988-01-01

    Nd 2 Fe 14 B single crystals with magnetic moments ranging from 1.6 x 10 -8 Acm 2 to 9.5 x 10 -7 Acm 2 are measured using the ultra high sensitivity vibrating reed magnetometer. The hysteresis loops are compared to those of BaFe 12 O 19 single crystals. It turns out that the magnetization reversal of the Nd 2 Fe 14 B samples is similar to that of BaFe 12 O 19 single crystals if the ferrite samples are considerably bigger in size. This does not hold for bigger Nd 2 Fe 14 B particles where stronger domain wall pinning is observed. For very small grains of Nd 2 Fe 14 B there is still evidence of domain wall processes while for BaFe 12 O 19 grains of the same size true single domain behaviour can be observed

  10. Production of an Amorphous Fe_<75>Si_<10>B_<15> Sheet by a Metallic Mold Casting Method and its Properties

    Inoue, Akihisa; Yamamoto, Hirokazu; Saito, Takanobu; Masumoto, Tsuyosi

    1993-01-01

    The application of a metallic mold casting method to an Fe_Si_B_ alloy with the largest glass-forming ability in (Fe, Co, Ni)-Si-B system was found to cause the formation of a mostly single amorphous phase in a sheet form with a thickness of 0.1 mm. No distinct difference in thermal stability (crystallization temperature and heat of crystallization), hardness, Curie temperature and magnetization is detected between the as-cast sheet and the melt-spun amorphous ribbon with a thickness of 0.02 ...

  11. Early stage crystallization kinetics in metallic glass-forming alloys

    Louzguine-Luzgin, Dmitri V.

    2014-01-01

    Highlights: • Heterogeneous nucleation may precede the homogeneous one in an alloy. • High kinetic constants and the nucleation rate at the initial stage. • Metallic glasses have heterogeneous nucleation sites which saturate later. -- Abstract: The crystallization kinetics and structural changes of a few metallic glassy alloys were monitored using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. Microstructural observations were used to estimate the nucleation and growth rates. A clear comparison of the differences in the crystallization kinetics in the metallic glassy samples is observed at the early and later crystallization stages

  12. Absorption in one-dimensional metallic-dielectric photonic crystals

    Yu Junfei; Shen Yifeng; Liu Xiaohan; Fu Rongtang; Zi Jian; Zhu Zhiqiang

    2004-01-01

    We show theoretically that the absorption of one-dimensional metallic-dielectric photonic crystals can be enhanced considerably over the corresponding constituent metal. By properly choosing the structural and material parameters, the absorption of one-dimensional metallic-dielectric photonic crystals can be enhanced by one order of magnitude in the visible and in the near infrared regions. It is found that the absorptance of such photonic crystals increases with increasing number of periods. Rules on how to obtain a absorption enhancement in a certain frequency range are discussed. (letter to the editor)

  13. Crystallization of [Fe4S3]-ferredoxin from the hyperthermophile archaeon pyrococcus furiosus

    Nielsen, Michael Ericsson Skovbo; Harris, Pernille; Christensen, Hans Erik Mølager

    2003-01-01

    Recombinant Pyrococcus furiosus ferredoxin with a [Fe3S4]-cluster was crystallized through steps of optimization and X-ray diffraction data were collected from several crystal forms. Flat plate-like crystals were grown by hanging-drop vapour diffusion. The precipitant used was 30% PEG 400; the p...

  14. Ferromagnetism and suppression of metallic clusters in Fe implanted ZnO -- a phenomenon related to defects?

    Arenholz, Elke; Zhou, S.; Potzger, K.; Talut, G.; Reuther, H.; Kuepper, K.; Grenzer, J.; Xu, Q.; Mucklich, A.; Helm, M.; Fassbender, J.; Arenholz, E.

    2008-01-01

    We investigated ZnO(0001) single crystals annealed in high vacuum with respect to their magnetic properties and cluster formation tendency after implant-doping with Fe. While metallic Fe cluster formation is suppressed, no evidence for the relevance of the Fe magnetic moment to the observed ferromagnetism was found. The latter along with the cluster suppression is discussed with respect to defects in the ZnO host matrix, since the crystalline quality of the substrates was lowered due to the preparation as observed by x-ray diffraction

  15. Ferromagnetism and suppression of metallic clusters in Fe implanted ZnO: a phenomenon related to defects?

    Zhou Shengqiang; Potzger, K; Talut, G; Reuther, H; Kuepper, K; Grenzer, J; Xu Qingyu; Muecklich, A; Helm, M; Fassbender, J; Arenholz, E

    2008-01-01

    We investigated ZnO(0 0 0 1) single crystals annealed in high vacuum with respect to their magnetic properties and cluster formation tendency after implant-doping with Fe. While metallic Fe cluster formation is suppressed, no evidence for the relevance of the Fe magnetic moment to the observed ferromagnetism was found. The latter along with the cluster suppression is discussed with respect to defects in the ZnO host matrix, since the crystalline quality of the substrates was lowered due to the preparation as observed by x-ray diffraction

  16. Crystal structure of actinide metals at high compression

    Fast, L.; Soederlind, P.

    1995-08-01

    The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure

  17. Hyperfine field distribution of Fe83B17 glassy metal

    Miglierini, M.; Sitek, J.

    1990-01-01

    Convolutions of Gaussian and Lorentzian lines are proposed to fit the Moessbauer spectrum of Fe 83 B 17 metallic glass. The hyperfine field distribution is constructed from three Gaussian lines corresponding to the individual line pairs. (author). 1 fig., 7 refs

  18. Effect of γ-(Fe,Ni) crystal-size stabilization in Fe-Ni-B amorphous ribbon

    Gorshenkov, M. V.; Glezer, A. M.; Korchuganova, O. A.; Aleev, A. A.; Shurygina, N. A.

    2017-02-01

    The effect of stabilizing crystal size in a melt-quenched amorphous Fe50Ni33B17 ribbon is described upon crystallization in a temperature range of 360-400°C. The shape, size, volume fraction, and volume density have been investigated by transmission electron microscopy and X-ray diffraction methods. The formation of an amorphous layer of the Fe50Ni29B21 compound was found by means of atomic-probe tomography at the boundary of the crystallite-amorphous phase. The stabilization of crystal sizes during annealing is due to the formation of a barrier amorphous layer that has a crystallization temperature that exceeds the crystallization temperature of the matrix amorphous alloy.

  19. Fabrication and properties of gallium metallic photonic crystals

    Kozhevnikov, V.F.; Diwekar, M.; Kamaev, V.P.; Shi, J.; Vardeny, Z.V.

    2003-01-01

    Gallium metallic photonic crystals with 100% filling factor have been fabricated via infiltration of liquid gallium into opals of 300-nm silica spheres using a novel high pressure-high temperature technique. The electrical resistance of the Ga-opal crystals was measured at temperatures from 10 to 280 K. The data obtained show that Ga-opal crystals are metallic network with slightly smaller temperature coefficient of resistivity than that for bulk gallium. Optical reflectivity of bulk gallium, plain opal and several Ga-opal crystals were measured at photon energies from 0.3 to 6 eV. A pronounced photonic stop band in the visible spectral range was found in both the plain and Ga infiltrated opals. The reflectivity spectra also show increase in reflectivity below 0.6 eV; which we interpret as a significantly lower effective plasma frequency of the metallic mesh in the infiltrated opal compare to the plasma frequency in the pure metal

  20. Growth and characterizations of Ba2Ti2Fe2As4O single crystals

    Yun-Lei Sun, Abduweli Ablimit, Jin-Ke Bao, Hao Jiang, Jie Zhou and Guang-Han Cao

    2013-01-01

    Full Text Available Single crystals of a new iron-based superconductor Ba2Ti2Fe2As4O have been grown successfully via a Ba2As3-flux method in a sealed evacuated quartz tube. Bulk superconductivity with Tc ~ 21.5 K was demonstrated in resistivity and magnetic susceptibility measurements after the as-grown crystals were annealed at 500 °C in vacuum for a week. X-ray diffraction patterns confirm that the annealed and the as-grown crystals possess the identical crystallographic structure of Ba2Ti2Fe2As4O. Energy-dispersive x-ray spectra indicate that partial Ti/Fe substitution exists in the [Fe2As2] layers and the annealing process redistributes the Ti within the Fe-plane. The ordered Fe-plane stabilized by annealing exhibits superconductivity with magnetic vortex pinned by Ti.

  1. Primary crystallization in Al-rich metallic glasses at unusually low temperatures

    Bokeloh, J.; Boucharat, N.; Roesner, H.; Wilde, G.

    2010-01-01

    The initial stage of the primary crystallization reaction and the glass transition of the marginal metallic glass Al 89 Y 6 Fe 5 were investigated by conventional differential scanning calorimetry (DSC) and modulated differential scanning calorimetry (MDSC), microcalorimetry, X-ray diffraction (XRD) and transmission electron microscopy. A sharp onset of the primary crystallization was found by microcalorimetry and XRD studies at temperatures which were 120 deg. C below the primary crystallization peak observed in conventional DSC. A systematic MDSC study of annealed samples revealed a wide spectrum of glass transition onsets, which show a strong dependence on the annealing conditions. In addition, the glass transition onsets can be linked to the initial stage of the primary crystallization. The spectrum of glass transition onsets observed is discussed with respect to the occurrence of phase separation preceding the nucleation and growth of dendritic aluminium nanocrystals.

  2. Formation and stability of Fe-rich precipitates in dilute Zr(Fe) single-crystal alloys

    Zou, H.; Hood, G.M.; Roy, J.A.; Schultz, R.J.

    1993-02-01

    The formation and stability of Fe-rich precipitates in two α-Zr(Fe) single-crystal alloys with nominal compositions (I, 50 ppma Fe, and II, 650 ppma Fe) have been investigated (the maximum solid solubility of Fe in α-Zr is 180 ppma - 800 C). Optical microscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have been used to examine the characteristics of Fe-rich precipitates. SEM and TEM micrographs show that in as-grown alloy II, Zr 2 Fe precipitates are located at 'stringers'. Precipitates were not observed in as-grown alloy I. During annealing, below the solvus, Fe diffuses to the surfaces to form Zr 3 Fe precipitates in both alloys. The precipitates on the surfaces of alloy I tend to be star-like (0001) or pyramidal (1010), and their distribution is heterogeneous. Dissolution of Zr 3 Fe surface precipitates of alloy I (annealing above the solvus) leaves precipitate-like features on the surfaces. Zr 2 Fe precipitates in as-grown alloy II can be dissolved only by β-phase annealing. (Author) 8 figs., 18 refs

  3. Magnetic SiO2/Fe3O4 colloidal crystals

    Huang, C-K; Hou, C-H; Chen, C-C; Tsai, Y-L; Chang, L-M; Wei, H-S; Hsieh, K-H; Chan, C-H

    2008-01-01

    We proposed a novel technique to fabricate colloidal crystals by using monodisperse SiO 2 coated magnetic Fe 3 O 4 (SiO 2 /Fe 3 O 4 ) microspheres. The magnetic SiO 2 /Fe 3 O 4 microspheres with a diameter of 700 nm were synthesized in the basic condition with ferric sulfate, ferrous sulfate, tartaric acid and tetraethyl orthosilicate (TEOS) in the reaction system. Monodisperse SiO 2 /Fe 3 O 4 superparamagnetic microspheres have been successfully used to fabricate colloidal crystals under the existing magnetic field

  4. Spin-glass behavior in single crystals of hetero-metallic magnetic warwickites MgFeBO{sub 4,} Mg{sub 0.5}Co{sub 0.5}FeBO{sub 4,} and CoFeBO{sub 4}

    Arauzo, A., E-mail: aarauzo@unizar.es [Servicio de Medidas Físicas, Universidad de Zaragoza, Pedro Cerbuna 12, 50009 Zaragoza (Spain); Kazak, N.V. [L.V. Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Ivanova, N.B. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Platunov, M.S. [L.V. Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Knyazev, Yu.V. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Bayukov, O.A.; Bezmaternykh, L.N. [L.V. Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Lyubutin, I.S.; Frolov, K.V. [Shubnikov Institute of Crystallography, RAS, 119333 Moscow (Russian Federation); Ovchinnikov, S.G. [L.V. Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Siberian State Aerospace University, 660014 Krasnoyarsk (Russian Federation); Bartolomé, J. [Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza and Departamento de Física de la Materia Condensada, 50009 Zaragoza (Spain)

    2015-10-15

    Magnetic properties of heterometallic warwickites MgFeBO{sub 4,} Mg{sub 0.5}Co{sub 0.5}FeBO{sub 4,} and CoFeBO{sub 4} are presented, highlighting the effect of Co substitution on the magnetic properties of these compounds. The analysis of magnetization and heat capacity data has shown that these compounds exhibit a spin-glass transition below T{sub SG}=10, 20 and 22 K, respectively. Using zero field ac susceptibility as entanglement witness we find that the low dimensional magnetic behavior above T{sub SG} show quantum entanglement behavior χ(Τ)∝T{sup −α(Τ)} up to T{sub E}≈130 K. The α parameters have been deduced as a function of temperature and Co content, indicating the existence of random singlet phase in this temperature region. Above T{sub E} the paramagnetism is interpreted in terms of non-entangled spins giving rise to Curie–Weiss paramagnetism. The different intra- and inter-ribbon exchange interaction pathways have been calculated within a simple indirect coupling model. It is determined that the triangular motifs in the warwickite structure, together with the competing interactions, induce frustration. The spin-glass character is explained in terms of the substitutional disorder of the Mg, Fe and Co atoms at the two available crystallographic sites, and the frustration induced by the competing interactions. The Co substitution induces uniaxial anisotropy, increases the absolute magnetization and increases the spin-glass freezing temperature. The entanglement behavior is supported in the intermediate phase irrespective of the introduction of anisotropy by the Co substitution. - Highlights: • Spin-glass transition of MgFeBO{sub 4,} Mg{sub 0.5}Co{sub 0.5}FeBO{sub 4,} and CoFeBO{sub 4}. • Anisotropy and transition temperature T{sub SG} increases with Co substitution. • Dynamical scaling theory near T{sub SG} is fulfilled. • Quantum entanglement is observed in between T{sub SG} and T{sub E}=130 K. • Low dimensional random singlet phase

  5. Sequestration of Radionuclides and Heavy Metals by Hydroxyapatite Doped with Fe, Cu and Sn

    K.B. Helean; R.C. Moore

    2005-01-01

    Apatite, Ca 5 (PO 4 ) 3 (F,OH,Cl) (P6 3 /m, Z=2), is the most abundant phosphate mineral on Earth. The end-member hydroxyapatite, Ca 5 (PO 4 ) 3 OH (P2 1 /b), is the primary mineral component in bones and teeth and tends to scavenge and sequester heavy metals in the human body. Hydroxyapatite has also been shown to be effective at sequestering radionuclides and heavy metals in certain natural systems (Dybowska et al., 2004). Hydroxyapatite has been the focus of many laboratory studies and is utilized for environmental remediation of contaminated sites (Moore et al., 2002). The crystal structure of apatite tolerates a great deal of distortion caused by extensive chemical substitutions. Metal cations (e.g. REE, actinides, K, Na, Mn, Ni, Cu, Co, Zn, Sr, Ba, Pb, Cd, Fe) substitute for Ca, and oxyanions (e.g. AsO 4 3- , SO 4 2- , CO 3 2- , SiO 4 4- , CrO 4 2- ) replace PO 4 3- through a series of coupled substitutions that preserve electroneutrality. Owing to the ability of apatite to incorporate ''impurities'' (including actinides) gives rise to its proposed use as a waste form for radionuclides. Recent work at Sandia National Laboratory demonstrated that hydroxyapatite has a strong affinity for U, Pu, Np, Sr and Tc reduced from pertechnetate (TcO 4 - ) by SnCl 2 (Moore et al., 2002). Based on these earlier promising results, an investigation was initiated into the use of apatite-type materials doped with aliovalent cations including Fe, Cu and Sn as Tc-scavengers. Synthetic Fe and Cu-doped hydroxyapatite samples were prepared by precipitation of Ca, from Ca-acetate, and P, from ammonium phosphate. The Fe and Cu were introduced as chlorides into the Ca-acetate solution. Stannous chloride was used as a reducing agent and was apparently incorporated into the crystal structures of the hydroxyapatite samples in small, as yet undetermined quantities

  6. Metal Injection Molding (MIM) of NdFeB Magnets

    Hartwig T.; Lopes L.; Wendhausen P.; Ünal N.

    2014-01-01

    Due to the increased and unstable prices for Rare Earth elements there are activities to develop alternative hard magnetic materials. Reducing the amount of material necessary to produce complex sintered NdFeB magnets can also help to reduce some of the supply problem. Metal Injection Molding (MIM) is able to produce near net shape parts and can reduce the amount of finishing to achieve final geometry. Although MIM of NdFeB has been patented and published fairly soon after the development of ...

  7. Metallic dielectric photonic crystals and methods of fabrication

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2016-12-20

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  8. Metallic dielectric photonic crystals and methods of fabrication

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2017-12-05

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  9. Infrared-active optical phonons in LiFePO4 single crystals

    Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; Kostecki, R.

    2017-07-01

    Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm-1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4.

  10. The optical transmission characteristics in metallic photonic crystals

    Aly, Arafa H.; Elsayed, Hussein A.; Hamdy, Hany S.

    2010-01-01

    We theoretically studied electromagnetic wave propagation in a one-dimensional metal/dielectric photonic crystal (1D MDPC) consisting of alternating metallic and dielectric materials by using the transfer matrix method in visible and infrared regions. We have investigated the photonic band gap by using four kinds of metals: silver, lithium, gold and copper. We discuss the details of the calculated results in terms of the thickness of the metallic layer and different kinds of metals, and the plasma frequency. Our results have a potential for applications in optical devices because it is easy and cheap to manufacture.

  11. Reactive Stresses in Ni49Fe18Ga27Co6 Shape-Memory-Alloy Single Crystals

    Averkin, A. I.; Krymov, V. M.; Guzilova, L. I.; Timashov, R. B.; Soldatov, A. V.; Nikolaev, V. I.

    2018-03-01

    The reactive stresses induced in Ni49Fe18Ga27Co6-alloy single crystals during martensitic transformations with a limited possibility of shape-memory-strain recovery have been experimentally studied. The data on these crystals are compared with the results obtained previously for Cu-Al-Ni, Ni-Ti, and Ni‒Fe-Ga crystals. The potential of application of the Ni49Fe18Ga27Co6 single crystals in designing drives and power motors is demonstrated.

  12. Interfaces anisotropy in single crystal V/Fe/V trilayer

    Louis, D. [Institut Jean Lamour, UMR CNRS 7198, Université de Lorraine, 54506 Vandoeuvre-lès-Nancy (France); Lytvynenko, Ia. [Sumy State University, 2, Rymskogo-Korsakova Street, 40007 Sumy (Ukraine); Hauet, T., E-mail: thomas.hauet@univ-lorraine.fr [Institut Jean Lamour, UMR CNRS 7198, Université de Lorraine, 54506 Vandoeuvre-lès-Nancy (France); Lacour, D.; Hehn, M.; Andrieu, S.; Montaigne, F. [Institut Jean Lamour, UMR CNRS 7198, Université de Lorraine, 54506 Vandoeuvre-lès-Nancy (France)

    2014-12-15

    The value and sign of V/Fe interface anisotropy are investigated. Epitaxial V/Fe/V/Au layers with different iron thicknesses were grown on single-crystalline (001) MgO substrate by ultra-high vacuum molecular beam epitaxy. Magnetometry was used to measure magnetization and out-of-plane anisotropy field. From these values, we quantify the number of dead layers due to V/Fe or Fe/V interfaces, and compare it with the literature. We deduce that dead layers occur mostly at the bottom V/Fe interface. An average value for V/Fe and Fe/V interface anisotropy around 0±0.1 erg/cm{sup 2} (mJ/m{sup 2}) was thus deduced. - Highlights: • In a V/Fe/V stack, dead layers (i.e. overall magnetization reduction) originate mostly from the bottom V/Fe interface. • The average value for V/Fe and Fe/V interface anisotropy in V/Fe/V stack has been quantified as 0±0.1 erg/cm{sup 2} (mJ/m{sup 2})

  13. Ab initio calculations of the electron spectrum and density of states of TlFeS{sub 2} and TlFeSe{sub 2} crystals

    Ismayilova, N. A., E-mail: ismayilova-narmin-84@mail.ru; Orudjev, H. S.; Jabarov, S. H. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)

    2017-04-15

    The results of ab initio calculations of the electron spectrum of TlFeS{sub 2} and TlFeSe{sub 2} crystals in the antiferromagnetic phase are reported. Calculations are carried out in the context of the density functional theory. The origin of the bands of s, p, and d electron states of Tl, Fe, S, and Se atoms is studied. It is established that, in the antiferromagnetic phase, the crystals possess semiconductor properties. The band gaps are found to be 0.05 and 0.34 eV for TlFeS{sub 2} and TlFeSe{sub 2} crystals, respectively.

  14. Charge transfers in complex transition metal alloys (Ti2Fe)

    Abramovici, G.

    1998-01-01

    We introduce a new non-orthogonal tight-binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti 2 Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states. (orig.)

  15. Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.

    Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J; Wang, Liliang; Lin, Jianguo

    2016-12-13

    The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions.

  16. Redox process catalysed by growing crystal-strengite, FePO4,2H2O, crystallizing from solution with iron(II) and hydroxylamine

    Lundager Madsen, Hans Erik

    2014-09-01

    In an attempt to grow pure crystals of the iron(II) phosphate vivianite, Fe3(PO4)2,8H2O, from a solution of Mohr's salt, Fe(NH4)2(SO4)2,6H2O, added to a solution of ammonium phosphate, hydroxylammonium chloride, NH3OHCl, was added to the iron(II) stock solution to eliminate oxidation of iron(II) by oxygen from the air. However, the effect turned out to be the opposite of the expected: whereas hydroxylamine reduces iron(III) in bulk solution, it acted as a strong oxidant in the presence of growing iron phosphate crystals, causing the crystallization of the iron(III) phosphate strengite, FePO4,2H2O, as the only solid phase. Evidently the crystal surface catalyses oxidation of iron(II) by hydroxylamine. The usual composite kinetics of spiral growth and surface nucleation was found. The surface-nucleation part yielded edge free energy λ in the range 12-45 pJ/m, virtually independent of temperature and in the range typical for phosphates of divalent metals. The scatter of values for λ presumably arises from contributions from different crystal forms to the overall growth rate. The low mean value points to strong adsorption of iron(II), which is subsequently oxidized at the crystal surface, forming strengite. The state of the system did not tend to thermodynamic equilibrium, but to a metastable state, presumably controlled by the iron(II) rich surface layer of the crystal. In addition to crystal growth, it was possible to measure nucleation kinetics by light scattering (turbidimetry). A point of transition from heterogeneous to homogeneous nucleation was found, and from the results for the homogeneous domain a rather precise value of crystal surface free energy γ=55 mJ/m2 was found. This is a relatively low value as well, indicating that the redox process plays a role already at the nucleation stage.

  17. Crystallization of the amorphous Fe{sub 80}Zr{sub 12}B{sub 8} alloy under controlled heating

    Huang, H. [School of Engineering (H6), University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Shao, G. [Centre for Materials Research and Innovation, University of Bolton, Bolton BL3 5AB (United Kingdom)], E-mail: G.Shao@bolton.ac.uk; Tsakiropoulos, P. [Department of Engineering Materials, Sir Robert Hadfirld Building, University of Sheffield, Mappin Street, Sheffield S1 3JD (United Kingdom)

    2008-07-14

    The devitrification process of amorphous Fe{sub 80}Zr{sub 12}B{sub 8} alloy ribbons were studied under controlled thermal conditions. The major crystallization event during continuous heating with differential scanning calorimetory (DSC) is dictated by diffusion controlled growth and the associated atom mobility of the slow diffusing species Zr. The existence of prior nano-crystals formed by pre-annealing below the crystallization temperature had little effect on the major crystallization temperature. The crystallization sequence during heating was: amorphous {yields} amorphous + {alpha}-Fe + Fe{sub 3}Zr(B) {yields} amorphous + {alpha}-Fe + Fe{sub 3}Zr(B) + Fe{sub 2}Zr. Different from previous findings in alloys of lower Zr and B contents, the peak for the crystallization of the {alpha}-Fe phase alone is missing in the DSC traces of this alloy.

  18. A unified picture of the crystal structures of metals

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  19. A unified picture of the crystal structures of metals

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  20. Crystallization processes in an amorphous Co-Fe-Cr-Si-B alloy under isothermal annealing

    Fedorets, A. N.; Pustovalov, E. V.; Plotnikov, V. S.; Modin, E. B.; Kraynova, G. S.; Frolov, A. M.; Tkachev, V. V.; Tsesarskaya, A. K.

    2017-09-01

    Research present the crystallization processes investigation of the amorphous Co67Fe3Cr3Si15B12 alloy. In-situ experiments on heating in a transmission electron microscope (TEM) column were carried out. Critical temperatures influencing material structure are determined. The onset temperature of material crystallization was determined.

  1. Shape of growing crystals of primary phases in autectic alloys of Fe - Fe2B and Ni - Ni3B systems

    Tavadze, F.N.; Garibashvili, V.I.; Nakaidze, Sh.G.

    1983-01-01

    Shapes of Fe 2 B and Ni 3 B crystal growth in eutectic Fe-B and Ni-B system alloys are considered. Iron hemiboride primary crystals take the form of a plane-face phase boundary and inherit a tetragonal prismatic lattice. After the crystal attains the critical size the dendritic branching occurs resulting in formation of a typical sceleton dendrite. Comparison of data obtained with entropy of melting for Fe 2 B and Ni 3 B borides shows that FeB crystals during the growth should take the spherical form. It is stated that the shape of growing crystals in Fe-Fe 2 B and Ni-Ni 2 B eutectic colonies is determined by the shape of borides

  2. Crystal-fields at rare-earth sites in R2Fe14B compounds

    Adam, S.; Adam, G.; Burzo, E.

    1985-12-01

    Crystal-field effects are expected to be important in R 2 Fe 14 B compounds. Within a model-independent approach, it is proved that four distinct rare-earth sites exist with respect to the crystalline electric fields, namely, R(4f; z=0), R(4f; z=0.5 c), R(4g; z=0), and R(4g; z=0.5 c), and relationships are established between the corresponding crystal-fields coefficients. Further, generalized Stevens parametrizations of the crystal field coefficients are derived at three levels of approximation for the interatomic forces inside the crystal. A crystal lattice dressing effect upon the radial electronic integrals is found to occur, the magnitude of which depends on the deviation of the interatomic forces from Coulombian. Finally, computation of crystal-field coefficients in Nd 2 Fe 14 B leads to results which raise questions about the validity of the simple Coulomb point-charge model. (author)

  3. Crystal structure and Mössbauer studies of the isotypic Fe6-cluster compounds RE15[Fe8C25], RE=Dy, Ho

    Davaasuren, Bambar

    2015-05-01

    The carboferrates RE15[Fe8C25] (RE=Dy, Ho) were prepared from mixtures of the elements by arc-melting followed with subsequent annealing at 1373 K. The crystal structures were determined from single crystal X-ray diffraction data and revealed an isotypic relationship to Er15[Fe8C25] (hP48, P321). The main feature of the crystal structure is given by Fe6 cluster units characterized by covalent Fe-Fe bonding interactions. 57Fe Mössbauer spectra of Dy15[Fe8C25] were fitted by three subspectra with relative spectral weights of about 3:3:2 which is in general agreement with the crystal structure. Below 50 K, an onset of magnetic hyperfine fields at the three iron sites is observed which is supposed to be caused by dipolar fields arising from neighboring, slowly relaxing Dy magnetic moments.

  4. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

    Misse, Patrick R.N.; Mbarki, Mohammed [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany)

    2012-08-15

    Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

  5. Solvothermal crystallization of nanocrystals of metal oxides

    Furukawa, S; Amino, H; Iwamoto, S; Inoue, M

    2008-01-01

    Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (S BET > 170 m 2 g -1 ) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product

  6. Solvothermal crystallization of nanocrystals of metal oxides

    Furukawa, S.; Amino, H.; Iwamoto, S.; Inoue, M.

    2008-07-01

    Solvothermal crystallization of the hydroxide gels obtained by hydrolysis of alkoxides (Zr, Ta, Nb, ln, Sn, Ti and Al) was examined. Nanocrystals having high surface areas (SBET > 170 m2 g-1) were obtained except for the product derived from indium isopropoxide. The effect of water in organic solvent upon the crystallinity of the product was investigated. The increase in the activity of water by using high concentration of alkoxide or intentional addition of water to the solvothermal medium led to crystal growth of the products. In contrast, decrease in activity of water by adding ethylene glycol before solvothermal treatment caused a decrease in crystallinity of the product.

  7. Metal Halide Perovskite Single Crystals: From Growth Process to Application

    Shuigen Li

    2018-05-01

    Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

  8. Enhancement of plasticity of Fe-based bulk metallic glass by Ni substitution for Fe

    Guo, S.F. [State Key Laboratory of Material Processing and Die and Mould Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Li, N.; Zhang, C. [State Key Laboratory of Material Processing and Die and Mould Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); Liu, L., E-mail: sfguo2005@163.co [State Key Laboratory of Material Processing and Die and Mould Technology, Huazhong University of Science and Technology, 430074 Wuhan (China)

    2010-08-15

    Bulk metallic glasses (BMGs) (Fe{sub 1-x}Ni{sub x}){sub 71}Mo{sub 5}P{sub 12}C{sub 10}B{sub 2} (x = 0, 0.1 and 0.2) with a diameter of 3 mm were synthesized by copper mold casting. The effect of Ni substitution for Fe on the structure, thermal and mechanical properties has been studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and compressive testing. It was found that the substitution of Ni for Fe enhances the glass forming ability, and improves the plasticity of Fe{sub 71}Mo{sub 5}P{sub 12}C{sub 10}B{sub 2} BMG as indicated by the increase in the plastic strain from 3.1% (x = 0) to 5.2% (x = 0.2). The improvement of the plasticity is discussed in term of the reduction of glass transition temperature and the supercooled liquid region due to the substitution of Ni for Fe.

  9. Crystal field in rare-earth metals and intermetallic compounds

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  10. Welding and joining of single crystals of BCC refractory metals

    Hiraoka, Yutaka; Fujii, Tadayuki

    1989-01-01

    Welding and joining is one of key technologies for the wider utilizations of a material. In the present work, the applicability of welding and joining for a single crystal of BCC refractory metal was investigated. Electron-beam welding and tungsten-inert-gas welding by a melt-run technique, and high-temperature brazing by using brazing metals such as Mo-40%Ru alloy, vanadium or platinum were conducted for molybdenum single crystal which had been prepared by means of secondary recrystallization. 12 refs.,12 figs., 2 tabs. (Author)

  11. Photonic Paint Developed with Metallic Three-Dimensional Photonic Crystals

    Sun, Po; Williams, John D.

    2012-01-01

    This work details the design and simulation of an inconspicuous photonic paint that can be applied onto an object for anticounterfeit and tag, track, and locate (TTL) applications. The paint consists of three-dimensional metallic tilted woodpile photonic crystals embedded into a visible and infrared transparent polymer film, which can be applied to almost any surface. The tilted woodpile photonic crystals are designed with a specific pass band detectable at nearly all incident angles of light. When painted onto a surface, these crystals provide a unique reflective infra-red optical signature that can be easily observed and recorded to verify the location or contents of a package.

  12. Treatment of alcaline metals halides for developing crystals

    Spurney, R.W.

    1974-01-01

    A process is described whereby crystals of an alkaline metal halide may be dried and placed in a crucible for development by the Bridgeman-Stockbarger method. Purified alkaline halides from a suspension are dried and formed into dense cakes of transverse section slightly smaller than that of the crucible, where they are packed, melted and grown into crystals according to the Bridgeman-Stockbarger technique. This method applies to the preparation of alkaline halide crystals, particularly sodium iodide for optical elements or scintillation counters [fr

  13. Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

    Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li

    2018-04-01

    Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.

  14. Spin-glass behavior of warwickite MgFeBO{sub 4} and CoFeBO{sub 4} crystals observed by Mössbauer spectroscopy

    Lyubutin, I.S.; Korotkov, N. Yu.; Frolov, K.V. [Shubnikov Institute of Crystallography, RAS, 119333 Moscow (Russian Federation); Kazak, N.V.; Platunov, M.S. [Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Knyazev, Yu. V. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Bezmaternykh, L.N. [Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Ovchinnikov, S.G. [Kirensky Institute of Physics, SB of RAS, 660036 Krasnoyarsk (Russian Federation); Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Siberian State Aerospace University, 660014 Krasnoyarsk (Russian Federation); Arauzo, A. [Servicio de Medidas Físicas, Universidad de Zaragoza, Pedro Cerbuna 12, 50009 Zaragoza (Spain); Bartolomé, J. [Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza and Departamento de Física de la Materia Condensada, 50009 Zaragoza (Spain)

    2015-09-05

    Highlights: • Spin-glass behavior of MgFeBO{sub 4} and CoFeBO{sub 4} observed by Mössbauer spectroscopy. • Transition temperature T{sub SG} increases strongly with Co substitution. • Dynamical scaling theory near T{sub SG} is fulfilled. • Spin-glass behavior is explained as due to short range correlations. • Inclusion of Co increases exchange interaction and magnetocrystalline anisotropy. - Abstract: Single crystals of MgFeBO{sub 4} and CoFeBO{sub 4} warwickites were obtained. The effects of charge ordering and magnetic properties were investigated by Mössbauer spectroscopy. Cation distribution over M1 and M2 nonequivalent sites and the average charge at the metal positions were established. Low temperature Mössbauer spectra reveal spin-glass behavior, with spin-freezing temperatures T{sub SG} of 15.2 and 33.2 K for Mg- and Co-warwickites, respectively, higher than that observed from the d.c. and a.c. magnetic susceptibility measurements. The difference is explained in terms of dynamical scaling theory. The specific shape of the Mössbauer spectra in the vicinity of the magnetic transition at T{sub SG} shows the difference between spin-glass and superparamagnetic behavior and demonstrates an overwhelming role of the exchange anisotropy in the properties of Mg-warwickite. In Co-warwickite the increase of magnetocrystalline anisotropy provokes an increase in magnetic viscosity.

  15. Crystallization behaviour and thermal stability of two aluminium-based metallic glass powder materials

    Li, X.P.; Yan, M. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Yang, B.J. [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wang, J.Q., E-mail: jqwang@imr.ac.cn [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Schaffer, G.B. [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia); Qian, M., E-mail: ma.qian@uq.edu.au [University of Queensland, School of Mechanical and Mining Engineering, ARC Centre of Excellence for Design in Light Metals, Brisbane, QLD 4072 (Australia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer The crystallization paths and products of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder have been identified. Black-Right-Pointing-Pointer The thermal stability of Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder has been assessed. Black-Right-Pointing-Pointer The Al{sub 86}Ni{sub 7}Y{sub 4.5}Co{sub 1}La{sub 1.5} powder shows a wide processing window of 75 K. Black-Right-Pointing-Pointer The powder has the potential to be consolidated into thick BMG components based on the findings. Black-Right-Pointing-Pointer The Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} powder shows similar characteristics but inferior thermal stability. - Abstract: The crystallization behaviour and thermal stability of two Al-based metallic glass powder materials, Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} and Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5}, have been investigated using differential scanning calorimetry (DSC), X-ray diffraction (XRD) and electron microscopy. Both alloy powders show a distinct three-stage crystallization process with a similar gap of {approx}75 K between the onset crystallization temperature (T{sub x}) and the second crystallization temperature. Crystallization occurs by the precipitation and growth of fcc-Al, without intermetallic formation. The apparent activation energy for each stage of crystallization was determined from DSC analyses and the phases resulting from each crystallization stage were identified by XRD and electron microscopy. The critical cooling rate for each alloy powder was calculated from the DSC data. These results are necessary to inform the consolidation of amorphous powder particles of Al{sub 85}Ni{sub 5}Y{sub 6}Co{sub 2}Fe{sub 2} or Al{sub 86}Ni{sub 6}Y{sub 4.5}Co{sub 2}La{sub 1.5} into thick (>1 mm) metallic glass components.

  16. Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

    Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

    2011-03-01

    Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

  17. High pressure die casting of Fe-based metallic glass

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-01-01

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications. PMID:27725780

  18. High pressure die casting of Fe-based metallic glass.

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-10-11

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

  19. High pressure die casting of Fe-based metallic glass

    Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, András

    2016-10-01

    Soft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.

  20. Small angle neutron scattering study of metallic alloys by a double crystal device

    Cser, L.; Kovacs, I.; Kroo, N.; Zsigmond, Gy.

    1982-06-01

    A double crystal small angle neutron scattering (SANS) device was built and a simple method for measuring the integrated SANS intensity was developed. The device and the method were tested and the possibility of future applications was demonstrated by measurements on different samples. The test measurements were performed on iron and teflon slabs of different thickness. On Fe-B metallic glasses a SANS intensity originating mainly from the multiple magnetic refraction at domain boundaries was observed. A very weak SANS intensity was found on turbine blades. The integrated SANS intensity was shown to correlate with the running time of the blades. Similar measurements were performed on artificially deformed steel samples. (author)

  1. Nano size crystals of goethite, α-FeOOH: Synthesis and thermal transformation

    Christensen, Axel Norlund; Jensen, Torben R.; Bahl, Christian R.H.; DiMasi, Elaine

    2007-01-01

    An aqueous suspension of amorphous iron(III) hydroxide was kept at room temperature (298 K) for 23 years. During this period of time the pH of the liquid phase changed from 4.3 to 2.85, and nano size crystals of goethite, α-FeOOH crystallised from the amorphous iron(III) hydroxide. Transmission electron microscopy (TEM) investigations, Moessbauer spectra, and powder X-ray diffraction using Co Kα radiation showed that the only iron containing crystalline phase present in the recovered product was α-FeOOH. The size of these nano particles range from 10 to 100 nm measured by TEM. The thermal decomposition of α-FeOOH was investigated by time-resolved in situ synchrotron radiation powder X-ray diffraction and the data showed that the sample of α-FeOOH transformed to α-Fe 2 O 3 in the temperature range 444-584 K. A quantitative phase analysis shows the increase in scattered X-ray intensity from α-Fe 2 O 3 to follow the decrease of intensity from α-FeOOH in agreement with the topotactic phase transition. - Graphical abstract: Nano size crystals of goethite, α-FeOOH formed from amorphous iron(III) hydroxide after 23 years, and transforms faster to α-Fe 2 O 3 upon heating

  2. Ionic and electronic dark decay of holograms in LiNbO3:Fe crystals

    Yang, Yunping; Nee, Ingo; Buse, Karsten; Psaltis, Demetri

    2001-01-01

    The lifetimes of nonfixed holograms in LiNbO 3 :Fe crystals with doping levels of 0.05, 0.138, and 0.25 wt% Fe 2 O 3 have been measured in the temperature range from 30 to 180 degree C. The time constants of the dark decay of holograms stored in crystals with doping levels of 0.05 and 0.25 wt% Fe 2 O 3 obey an Arrhenius-type dependence on absolute temperature T, but yield two activation energies: 1.0 and 0.28 eV, respectively. For these crystals, two different dark decay mechanisms are prevailing, one of which is identified as proton compensation and the other is due to electron tunneling between sites of Fe 2+ and Fe 3+ . The dark decay of holograms stored in crystals with the doping level of 0.138 wt% Fe 2 O 3 is the result of a combination of both effects. [copyright] 2001 American Institute of Physics

  3. Viscosity Measurements of "FeO"-SiO2 Slag in Equilibrium with Metallic Fe

    Chen, Mao; Raghunath, Sreekanth; Zhao, Baojun

    2013-06-01

    The current study delivered the measurements of viscosities in the system "FeO"-SiO2 in equilibrium with metallic Fe in the composition range between 15 and 40 wt pct SiO2. The experiments were carried out in the temperature range of 1473 K to 1773 K (1200 °C to 1500 °C) using a rotational spindle technique. An analysis of the quenched sample by electron probe X-ray microanalysis (EPMA) after the viscosity measurement enables the composition and microstructure of the slag to be directly linked with the viscosity. The current results are compared with available literature data. The significant discrepancies of the viscosity measurements in this system have been clarified. The possible reasons affecting the accuracy of the viscosity measurement have been discussed. The activation energies derived from the experimental data have a sharp increase at about 33 wt pct SiO2, which corresponds to the composition of fayalite (Fe2SiO4). The modified quasi-chemical model was constructed in the system "FeO"-SiO2 to describe the current viscosity data.

  4. Formation and crystallization kinetics of Nd-Fe-B-based bulk amorphous alloy

    Wu, Qiong; Ge, Hongliang; Zhang, Pengyue; Li, Dongyun; Wang, Zisheng [China Jiliang University, Magnetism Key Laboratory of Zhejiang Province, Hangzhou (China)

    2014-06-15

    In order to improve the glass-forming ability (GFA) of Nd-Fe-B ternary alloys to obtain fully amorphous bulk Nd-Fe-B-based alloy, the effects of Mo and Y doping on GFA of the alloys were investigated. It was found that the substitution of Mo for Fe and Y for Nd enhanced the GFA of the Nd-Y-Fe-Mo-B alloys. It was also revealed that the GFA of the samples was optimized by 4 at.% Mo doping and increased with theYcontent. The fully amorphous structures were all formed in the Nd{sub 6-x}Y{sub x}Fe{sub 68}Mo{sub 4}B{sub 22} (x =1-5) alloy rods with 1.5 mm-diameter. After subsequent crystallization, the devitrified Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} alloy rod exhibited a uniform distribution of grains with a coercivity of 364.1 kA/m. The crystallization behavior of Nd{sub 3}Y{sub 3}Fe{sub 68}Mo{sub 4}B{sub 22} BMG was investigated in isothermal situation. The Avrami exponent n determined by JAM plot is lower than 2.5, implying that the crystallization is mainly governed by a growth of particles with decreasing nucleation rate. (orig.)

  5. Crystallization kinetics and magnetic properties of FeSiCr amorphous alloy powder cores

    Xu, Hu-ping [School of Logistics Engineering, Wuhan University of Technology, Wuhan 430063 (China); Wang, Ru-wu, E-mail: ruwuwang@hotmail.com [National Engineering Research Center For Silicon Steel, Wuhan 430080 (China); College of Materials Science and Metallurgical Engineering, Wuhan University of Science and Technology, Wuhan 430081 (China); Wei, Ding [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China); Zeng, Chun [National Engineering Research Center For Silicon Steel, Wuhan 430080 (China)

    2015-07-01

    The crystallization kinetics of FeSiCr amorphous alloy, characterized by the crystallization activation energy, Avrami exponent and frequency factor, was studied by non-isothermal differential scanning calorimetric (DSC) measurements. The crystallization activation energy and frequency factor of amorphous alloy calculated from Augis–Bennett model were 476 kJ/mol and 5.5×10{sup 18} s{sup −1}, respectively. The Avrami exponent n was calculated to be 2.2 from the Johnson–Mehl–Avrami (JMA) equation. Toroid-shaped Fe-base amorphous powder cores were prepared from the commercial FeSiCr amorphous alloy powder and subsequent cold pressing using binder and insulation. The characteristics of FeSiCr amorphous alloy powder and the effects of compaction pressure and insulation content on the magnetic properties, i.e., effective permeability μ{sub e}, quality factor Q and DC-bias properties of FeSiCr amorphous alloy powder cores, were investigated. The FeSiCr amorphous alloy powder cores exhibit a high value of quality factor and a stable permeability in the frequency range up to 1 MHz, showing superior DC-bias properties with a “percent permeability” of more than 82% at H=100 Oe. - Highlights: • The crystallization kinetics of FeSiCr amorphous alloy was investigated. • The FeSiCr powder cores exhibit a high value of Q and a stable permeability. • The FeSiCr powder cores exhibit superior DC-bias properties.

  6. Formation of SmFe5(0001) ordered alloy thin films on Cu(111) single-crystal underlayers

    Yabuhara, Osamu; Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    SmFe 5 (0001) single-crystal thin films are prepared by molecular beam epitaxy employing Cu(111) single-crystal underlayers on MgO(111) substrates. The Cu atoms diffuse into the Sm-Fe layer and substitute the Fe sites in SmFe 5 structure forming an alloy compound of Sm(Fe,Cu) 5 . The Sm(Fe,Cu) 5 film is more Cu enriched with increasing the substrate temperature. The Cu underlayer plays an important role in assisting the formation of the ordered phase.

  7. Formation of SmFe{sub 5}(0001) ordered alloy thin films on Cu(111) single-crystal underlayers

    Yabuhara, Osamu; Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: yabuhara@futamoto.elect.chuo-u.ac.j [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

    2010-01-01

    SmFe{sub 5}(0001) single-crystal thin films are prepared by molecular beam epitaxy employing Cu(111) single-crystal underlayers on MgO(111) substrates. The Cu atoms diffuse into the Sm-Fe layer and substitute the Fe sites in SmFe{sub 5} structure forming an alloy compound of Sm(Fe,Cu){sub 5}. The Sm(Fe,Cu){sub 5} film is more Cu enriched with increasing the substrate temperature. The Cu underlayer plays an important role in assisting the formation of the ordered phase.

  8. Metal Injection Molding (MIM of NdFeB Magnets

    Hartwig T.

    2014-07-01

    Full Text Available Due to the increased and unstable prices for Rare Earth elements there are activities to develop alternative hard magnetic materials. Reducing the amount of material necessary to produce complex sintered NdFeB magnets can also help to reduce some of the supply problem. Metal Injection Molding (MIM is able to produce near net shape parts and can reduce the amount of finishing to achieve final geometry. Although MIM of NdFeB has been patented and published fairly soon after the development of the NdFeB magnets there has never been an industrial production. This could be due to the fact that MIM was very young at that time and hardly developed. Thus, the feasibility of the process needs to be revaluated. This paper presents results of our work on determining the process parameters influencing the magnetic properties of the sintered magnets as well as the shrinkage during processing. The role of binder and powder loading on the alignment of the particles as well as on the carbon and oxygen contamination was examined.

  9. Modification of Thermal Emission via Metallic Photonic Crystals

    Norris, David J.; Stein, Andreas; George, Steven M.

    2012-01-01

    Photonic crystals are materials that are periodically structured on an optical length scale. It was previously demonstrated that the glow, or thermal emission, of tungsten photonic crystals that have a specific structure - known as the 'woodpile structure' - could be modified to reduce the amount of infrared radiation from the material. This ability has implications for improving the efficiency of thermal emission sources and for thermophotovoltaic devices. The study of this effect had been limited because the fabrication of metallic woodpile structures had previously required a complex fabrication process. In this project we pursued several approaches to simplify the fabrication of metallic photonic crystals that are useful for modification of thermal emission. First, we used the self-assembly of micrometer-scale spheres into colloidal crystals known as synthetic opals. These opals can then be infiltrated with a metal and the spheres removed to obtain a structure, known as an inverse opal, in which a three-dimensional array of bubbles is embedded in a film. Second, we used direct laser writing, in which the focus of an infrared laser is moved through a thin film of photoresist to form lines by multiphoton polymerization. Proper layering of such lines can lead to a scaffold with the woodpile structure, which can be coated with a refractory metal. Third, we explored a completely new approach to modified thermal emission - thin metal foils that contain a simple periodic surface pattern, as shown in Fig. 1. When such a foil is heated, surface plasmons are excited that propagate along the metal interface. If these waves strike the pattern, they can be converted into thermal emission with specific properties.

  10. Magnetic properties and microstructural homogeneity in NdFeAl bulk metallic glasses

    Ortega-Zempoalteca, R.; Valenzuela, R.; Betancourt, I.

    2011-01-01

    Bulk metallic glasses of nominal composition Nd 60 Fe 30 Al 10 were prepared by copper mold casting in the form of rods of 3 mm in diameter and 50 mm in length. Preparation conditions were varied to assess the effects of the injection distance and the injection pressure of the melt. In order to determine their microstructure, disk-shaped samples were obtained from different cut zones along the axis rod. A non-homogeneous phase distribution was observed, which resulted from the heat transfer regime during the cooling of the melt in the copper mold. As expected, the nature, distribution and volumetric fraction of the various phases produced play an important role on the resulting magnetic properties. Among the main observed phases are Fe-rich rod-like crystals, Nd-rich dendritic crystals and a ''like-amorphous'' matrix. The hard magnetic properties of these materials can be associated with this matrix. In these cooling regimes, the coercive field increases as the cooling rate of the amorphous matrix increases. Hysteresis loops showed a high degree of coupling between phases with different magnetic order. Both the coercive field and the magnetization showed a significant variation along the rod axis; a maximum appeared as a function of the axis length. In order to gather more information about the coupling between the observed phases, δM (or Henkel) plots were obtained, showing an exchange character for interactions (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Influence of the chemical composition of rapidly quenched amorphous alloys (Ni, Fe, Cr)-B-Si on its crystallization process

    Elmanov, G.; Dzhumaev, P.; Ivanitskaya, E.; Skrytnyi, V.; Ruslanov, A.

    2016-04-01

    This paper presents results of research of the structure and phase transformations during the multistage crystallization of the metallic glasses with the compositions Ni71,5Cr6,8Fe2,7B11,9Si7,1 and Ni63,4Cr7,4Fe4,3Mn0,8B15,6Si8,5 labeled as AWS BNi-2 according to American Welding Society. Differential scanning calorimetry (DSC), X-ray diffraction analysis (XRD), scanning electron microscopy (SEM) and energy-dispersive X-ray microanalysis (EDX) were used as experimental research methods. The influence of the alloys chemical composition (boron, manganese and iron) on the temperatures and the exothermic heat effects of phase transformations, as well as on the phase composition of alloys at three stages of crystallization was analyzed. We present a thermodynamic explanation of the observed heat effects. It has been shown that manganese has the main influence on the phase transformations temperatures and heat effects in these two alloys. It is also assumed that at the final crystallization stage simultaneously with the formation of phases Ni3B and β1-Ni3Si should occur the nucleation of borides of CrB type with high Cr and low Si content.

  12. Liquid crystal based optical platform for the detection of Pb2+ ions using NiFe2O4 nanoparticles

    Saman Zehra

    2018-06-01

    Full Text Available A simple, sensitive, selective and real time detection protocol was developed for Pb2+ ions in water using liquid crystals (LCs. In this method, NiFe2O4 nanoparticles were synthesized using chemical co-precipitation method. Crystallite size, morphological, functional groups and magnetization studies were confirmed using X-ray diffraction, Scanning Electron Microscopy, and Fourier transform infrared spectroscopy techniques, respectively. The nanoparticles were mono dispersed with average particle size of 20 ± 2 nm. The surfactant stabilized magnetic nanoparticles were incubated in liquid crystal based sensor system for the detection of Pb+2 ions. The bright to dark transition of LC was observed through optical microscope. When this system was further immersed with a solution containing Pb2+ ions, it caused homeotropic to planar orientation of LC. This interaction is attributed to the presence of abundant hydroxyl groups in such as M-OH, Fe-OH on the surface of spinel ferrites nanoparticles. These groups interact with metal ions at aqueous interface, causing disruption in LCs orientation giving bright texture. This sensor showed higher selectivity towards Pb2+ ions. The detection limit was estimated to be 100 ppb. The cheap and effective protocol reported here should make promising development of LC based sensor for lead ion detection. Keywords: Chemical co-precipitation method, Fourier transform infrared spectroscopy, Liquid crystals, Nanoparticles, Sensor, X-ray diffraction

  13. Moessbauer determination of magnetic structure of Fe3BO6 crystal

    Kovalenko, P.P.; Labushkin, V.G.; Ovsepyan, A.K.; Sarkisov, Eh.R.; Smirnov, E.V.; Prokopov, A.R.; Seleznev, V.N.

    1984-01-01

    The magnetic structure of a Fe 3 BO 6 crystal belonging to space group Dsub(2h)sup(16)(Psub(nma)) is determined by the Moessbauer γ-radiation diffraction. The bragg reflection (700) of Moessbauer 14.4 keV γ-quanta from the Fe 3 BO 6 monocrystal has been studied experimentally. A high sensitivity of the interference of γ-quantum diffraction scattering on Fe nuclei being in crystallographically non-equivalent 8d- and 4s-positions to the type of magnetic ordering in the crystal is used for determination of the magnetic structure. Agreement of the experimental results with the theoretical calculations, conducted for types of magnetic ordering resolved by the symmetry of the crystal, permitted to reliably determine the magnetic structure of this compound. The results obtained confirm the data of neutrondiffraction studies on magnetic ordering in Fe 3 BO 6 . Advantages of the Moessbauer-diffraction study, as compared to the magnetic neutrondiffraction method, in particular, for investigation of crystals, in which the hyperfine magnetic fields on Fe nuclei have different values, are revealed and discussed in detail

  14. Moessbauer determination of magnetic structure of Fe/sub 3/BO/sub 6/ crystal

    Kovalenko, P.P.; Labushkin, V.G.; Ovsepyan, A.K.; Sarkisov, Eh.R.; Smirnov, E.V.; Prokopov, A.R.; Seleznev, V.N.

    1984-10-01

    The magnetic structure of a Fe/sub 3/BO/sub 6/ crystal belonging to space group Dsub(2h)sup(16)(Psub(nma)) is determined by the Moessbauer ..gamma..-radiation diffraction. The bragg reflection (700) of Moessbauer 14.4 keV ..gamma..-quanta from the Fe/sub 3/BO/sub 6/ monocrystal has been studied experimentally. A high sensitivity of the interference of ..gamma..-quantum diffraction scattering on Fe nuclei being in crystallographically non-equivalent 8d- and 4s-positions to the type of magnetic ordering in the crystal is used for determination of the magnetic structure. Agreement of the experimental results with the theoretical calculations, conducted for types of magnetic ordering resolved by the symmetry of the crystal, permitted to reliably determine the magnetic structure of this compound. The results obtained confirm the data of neutrondiffraction studies on magnetic ordering in Fe/sub 3/BO/sub 6/. Advantages of the Moessbauer-diffraction study, as compared to the magnetic neutrondiffraction method, in particular, for investigation of crystals, in which the hyperfine magnetic fields on Fe nuclei have different values, are revealed and discussed in detail.

  15. Studying The Effect of Various Parameters on The Characteristics of The Dielectric and Metallic Photonic Crystals

    Ismail, M.; Badawy, Z.M.; Abdel-Rahman, E.

    2015-01-01

    Transmittance characteristics of two types of photonic crystals have been analysed using the transfer matrix method. The first one is the dielectric photonic crystal (DPC), and the second is the metallic photonic crystal (MPC). The effect of the most parameters on the transmission spectra of the dielectric and metallic photonic crystals has been studied

  16. Crystal structure and magnetic properties of Tb6FeSb2

    Cai Gemei; Zhang Jiliang; He Wei; Qin Pingli; Zeng Lingmin

    2006-01-01

    The crystal structure and magnetic properties of Tb 6 FeSb 2 has been investigated for the first time. The compound crystallizes in the hexagonal, space group P6-bar 2m (No. 189) with the Ho 6 FeSb 2 structure type and lattice parameters a=8.1942(5)A, c=4.1758(3)A, z=1 and D calc =8.564g/cm 3 . Its magnetic properties were measured between 85 and 420K. The Curie temperature T c =256K was obtained using the method of intersecting tangents, and the effective paramagnetic moment was μ eff =9.32μ B per Tb atom

  17. Sequestration of radionuclides and heavy metals by hydroxyapatite doped with Fe, Cu and Sn

    Neidel, Linnah L.; Moore, Robert Charles; Salas, Fred; Grouios, Fotini; Holt, Kathleen Caroline; Helean, Katheryn B.

    2005-01-01

    Apatite, Ca 5 (PO 4 ) 3 (F,OH,Cl)(P6 3 /m, Z=2), is the most abundant phosphate mineral on Earth. The end-member hydroxyapatite, Ca 5 (PO 4 ) 3 OH(P2 1 /b), is the primary mineral component in bones and teeth and tends to scavenge and sequester heavy metals in the human body. Hydroxyapatite has also been shown to be effective at sequestering radionuclides and heavy metals in certain natural systems (Dybowska et al., 2004). Hydroxyapatite has been the focus of many laboratory studies and is utilized for environmental remediation of contaminated sites (Moore et al., 2002). The crystal structure of apatite tolerates a great deal of distortion caused by extensive chemical substitutions. Metal cations (e.g. REE, actinides, K, Na, Mn, Ni, Cu, Co, Zn, Sr, Ba, Pb, Cd, Fe) substitute for Ca, and oxyanions (e.g. AsO 4 3- , SO 4 2- , CO 3 2- , SiO 4 4- , CrO 4 2- ) replace PO 4 3- through a series of coupled substitutions that preserve electroneutrality. Owing to the ability of apatite to incorporate 'impurities'(including actinides) gives rise to its proposed use as a waste form for radionuclides. Recent work at Sandia National Laboratory demonstrated that hydroxyapatite has a strong affinity for U, Pu, Np, Sr and Tc reduced from pertechnetate (TcO 4 - ) by SnCl 2 (Moore et al., 2002). Based on these earlier promising results, an investigation was initiated into the use of apatite-type materials doped with aliovalent cations including Fe, Cu and Sn as Tc-scavengers. Synthetic Fe and Cu-doped hydroxyapatite samples were prepared by precipitation of Ca, from Ca-acetate, and P, from ammonium phosphate. The Fe and Cu were introduced as chlorides into the Ca-acetate solution. Stannous chloride was used as a reducing agent and was apparently incorporated into the crystal structures of the hydroxyapatite samples in small, as yet undetermined quantities.

  18. A study on new types of metallic photonic crystals

    Ahmed, M.I.

    2013-01-01

    In this thesis, I tried to synthesize a one dimension dielectric photonic crystal. I have succeeded in depositing single layers of zinc oxide and magnesium oxide on glass substrates. Each single layer was characterized by a scanning electron microscope, X-ray diffraction, A Mirue interferometer, and a spectrophotometer. The refractive indices, extinction coefficients, and absorption coefficients of each single layer were calculated from the measured transmittance, reflectance, and thickness data. Using the calculated parameters (refractive indices) and measured parameters (thicknesses) the transmission spectrum of the one dimension photonic crystal composed of zinc oxide and magnesium oxide was modelled. Using the transfer matrix method, a comparative study of the one dimension-dielectric and metallic photonic crystals was done. Effect of the refractive index difference, filling factor, number of periods, Plasmon frequency, damping coefficient, and incidence angle on the transmittance of the dielectric and metallic photonic crystal was carried out. A multilayered structure composed of Silver and Gallium Nitride was designed to transmit in the visible region, block UV frequencies, and reflect the IR and microwave frequencies. Using a combination of MaxwellGarnett Approximation and the transfer matrix method; the properties of a nanocomposite photonic crystal consisting of Cryolite and spherical nanoparticles of silver distributed in a dielectric matrix of titanium dioxide was studied. Effect of the nanoparticle concentration, lattice constant and incidence angle on the polaritonic and structure photonic band gap were studied.

  19. Effect of Fe2+ and Fe3+ substitution on the crystal structure, optical and magnetic properties of anatase Ti1-δ (δ %Fe2+)O2 nanoparticles

    Wisnu Ari Adi; Adel Fisli

    2018-01-01

    Recently electromagnetic wave absorber materials are becoming a very interesting study to be studied more deeply because it is unique in terms of its interaction with electromagnetic waves itself. The main requirement to be met as an electromagnetic wave absorber material is that the material must have the characteristics of dielectric loss and magnetic loss are high. Anatase TiO 2 is a good dielectric material but these material is diamagnetic. Fe substitution was expected to manipulate the magnetic properties of this material. Modification of anatase TiO 2 was prepared by the precipitation method through the procedure as follows: 25 ml of iron salt solution containing 0.3 M Fe 2+ and 0.3 M Fe 3+ (mol ratio of 2 : 1) respectively mixed into 50 ml of 3 M TiCl 4 . The mixture solution of titanium and iron was added to a 150 ml solution of 2.5 M ammonia with drop wise rate 3 ml/min. After that the precipitate was washed then heated in an oven and calcined at 500 °C for 3 hours. There are two types of samples obtained namely anatase Ti 1-δ (δ %Fe 3+ ) Ti 1-δ (δ %Fe 2+ ) where (δ =0, 0.5, 1, and 5 wt %). Phase identification was measured by X-ray diffraction and crystal structure was analyzed by using the Rietveld method. Refinement result indicates that the sample has tetragonal crystal structure a single phase of anatase TiO 2 . Fe atoms have been successfully substituted into Ti without changing the crystal structure of this material. While based on the results of the analysis of optical and magnetic properties showed that the substitution effect of both Fe 2+ and Fe 3+ has managed to reduce energy of band gap and can transform this magnetic phase of this material from diamagnetic becomes paramagnetic at room temperature. It was concluded that it has successfully carried out material engineering of anatase TiO 2 with a substitution of up to 5 wt % of either Fe 2+ or Fe 3+ into ion Ti 4+ by the precipitation method. (author)

  20. Magnetic properties of (misch metal, Nd-Fe-B melt-spun magnets

    R. Li

    2017-05-01

    Full Text Available The effect of replacing Nd with misch metal (MM on magnetic properties and thermal stability has been investigated on melt-spun (Nd1-xMMx13.5Fe79.5B7 ribbons by varying x from 0 to 1. All of the alloys studied crystallize in the tetragonal 2:14:1 structure with single hard magnetic phase. Curie temperature (Tc, coercivity (Hcj, remanence magnetization (Br and maximum energy product ((BHmax all decrease with MM content. The melt-spun MM13.5Fe79.5B ribbons with high ratio of La and Ce exhibit high magnetic properties of Hcj = 8.2 kOe and (BHmax= 10.3 MGOe at room temperature. MM substitution also significantly strengthens the temperature stability of coercivity. The coercivities of the samples with x = 0.2 and even 0.4 exhibit large values close to that of Nd13.5Fe79.5B7 ribbons above 400 K.

  1. Roles of Co element in Fe-based bulk metallic glasses utilizing industrial FeB alloy as raw material

    Shouyuan Wang

    2017-08-01

    Full Text Available A series of Fe-based bulk metallic glasses were fabricated by a conventional copper mold casting method using a kind of Fe-B industrial raw alloy. It is found that Fe-B-Y-Nb bulk metallic glass with 3 at% of Co addition possesses the best glass forming ability, thermal stability, hardness, magnetic property and anti-corrosion property. The hardness test result indicates a synchronically trend with glass-forming ability parameters. The excellent glass-forming ability and a combination of good mechanical and functional properties suggest that the alloys in this work might be good candidates for commercial use.

  2. Bulk Superconductivity and Disorder in Single Crystals of LaFePO

    Analytis, James G.; Chu, Jiun-Haw; Erickson, Ann S.; Kucharczyk, Chris; /Stanford U., Appl. Phys. Dept.; Serafin, Alessandro; Carrington, Antony; /Bristol U.; Cox, Catherine; Kauzlarich, Susan M.; Hope, Hakon; /UC, Davis. Dept. Chem.

    2010-02-15

    We have studied the intrinsic normal and superconducting properties of the oxypnictide LaFePO. These samples exhibit bulk superconductivity and the evidence suggests that stoichiometric LaFePO is indeed superconducting, in contrast to other reports. We find that superconductivity is independent of the interplane residual resistivity {rho}{sub 0} and discuss the implications of this on the nature of the superconducting order parameter. Finally we find that, unlike T{sub c}, other properties in single-crystal LaFePO including the resistivity and magnetoresistance, can be very sensitive to disorder.

  3. Critical current densities and vortex dynamics in FeTexSe1-x single crystals

    Taen, T.; Tsuchiya, Y.; Nakajima, Y.; Tamegai, T.

    2010-01-01

    The critical current density and the normalized relaxation rate are reported in FeTe 0.59 Se 0.41 single crystal. Critical current density is of order of 10 5 A/cm 2 , which is comparable to that in Co-doped BaFe 2 As 2 . In low temperature and low field region, the vortex dynamics of this system is well defined by the collective creep theory, which is quite similar to Co-doped BaFe 2 As 2 reported before. We also discuss the origin of the anomaly in the field dependence of the relaxation rate.

  4. Optical properties of the iron-based superconductor LiFeAs single crystal

    Min, Byeong Hun; Kwon, Yong Seung; Hong, Jong Beom; Yun, Jae Hyun; Bang, Yunkyu; Iizuka, Takuya; Kimura, Shin-ichi

    2013-01-01

    We have measured the reflectivity spectra of the LiFeAs (T c = 17.6 K) single crystal in the temperature range from 4 to 300 K. In the superconducting (SC) state (T c ), the clean opening of the optical absorption gap was observed below 25 cm −1 , indicating an isotropic full gap formation. In the normal state (T > T c ), the optical conductivity spectra display typical metallic behavior with the Drude-type spectra at low frequencies, but we found that the introduction of the two Drude components best fits the data, indicating the multiband nature of this compound. A theoretical analysis of the low-temperature data (T = 4 K c ) also suggests that two SC gaps best fit the data and their values were estimated as Δ 1 = 3.3 meV and Δ 2 = 1.59 meV, respectively. Using the Ferrell–Glover–Tinkham sum rule and dielectric function ϵ 1 (ω), the plasma frequency of the SC condensate (ω ps ) is consistently estimated to be 6665 cm −1 , implying that about 65% of the free carriers of the normal state condense into the SC condensate. To investigate the various interband transition processes (for ω > 200 cm −1 ), we have also performed the local-density approximation band calculation and calculated the optical spectra of the interband transitions. This theoretical result provided qualitative agreement with the experimental data below 4000 cm −1 . (paper)

  5. Nano Size Crystals of Geothite, alpha-FeOOH: Synthesis and Thermal Transformation

    Christensen,A.; Jensen, T.; Bahl, C.; DiMasi, E.

    2007-01-01

    An aqueous suspension of amorphous iron(III) hydroxide was kept at room temperature (298 K) for 23 years. During this period of time the pH of the liquid phase changed from 4.3 to 2.85, and nano size crystals of goethite, {alpha}-FeOOH crystallized from the amorphous iron(III) hydroxide. Transmission electron microscopy (TEM) investigations, Moessbauer spectra, and powder X-ray diffraction using Co K{alpha} radiation showed that the only iron containing crystalline phase present in the recovered product was {alpha}-FeOOH. The size of these nano particles range from 10 to 100 nm measured by TEM. The thermal decomposition of {alpha}-FeOOH was investigated by time-resolved in situ synchrotron radiation powder X-ray diffraction and the data showed that the sample of {alpha}-FeOOH transformed to {alpha}-Fe{sub 2}O{sub 3} in the temperature range 444--584 K. A quantitative phase analysis shows the increase in scattered X-ray intensity from {alpha}-Fe{sub 2}O{sub 3} to follow the decrease of intensity from {alpha}-FeOOH in agreement with the topotactic phase transition.

  6. Metal induced crystallization of silicon germanium alloys

    Gjukic, M.

    2007-05-15

    In the framework of this thesis the applicability of the aluminium-induced layer exchange on binary silicon germanium alloys was studied. It is here for the first time shown that polycrstalline silicon-germanium layers can be fabricated over the whole composition range by the aluminium-induced layer exchange. The experimental results prove thet the resulting material exhibits a polycrystalline character with typocal grain sizes of 10-100 {mu}m. Raman measurements confirm that the structural properties of the resulting layers are because of the large crystallites more comparable with monocrystalline than with nano- or microcrystalline silicon-germanium. The alloy ratio of the polycrystalline layer correspondes to the chemical composition of the amorphous starting layer. The polycrystalline silicon-germanium layers possess in the range of the interband transitions a reflection spectrum, as it is otherwise only known from monocrystalline reference layers. The improvement of the absorption in the photovoltaically relevant spectral range aimed by the application of silicon-germanium could be also proved by absorption measurments. Strongly correlated with the structural properties of the polycrystalline layers and the electronic band structure resulting from this are beside the optical properties also the electrical properties of the material, especially the charge-carrier mobility and the doping concentration. For binary silicon-germanium layers the hole concentration of about 2 x 10{sup 18} cm{sup -3} for pure silicon increrases to about 5 x 10{sup 20} cm{sub -3} for pure germanium. Temperature-resolved measurements were applied in order to detect doping levels respectively semiconductor-metal transitions. In the last part of the thesis the hydrogen passivation of polycrystalline thin silicon-germanium layers, which were fabricated by means of aluminium-induced layer exchange, is treated.

  7. Synthesis crystal stuctrure and thermoelectric properties of the ternary skutterudite Fe2Pd2Sb12

    Navrátil, Jiří; Laufek, F.; Plecháček, T.; Plášil, J.

    2010-01-01

    Roč. 493, 1-2 (2010), s. 50-54 ISSN 0925-8388 R&D Projects: GA ČR GA203/07/0267 Institutional research plan: CEZ:AV0Z40500505 Keywords : Fe2Pd2Sb12 * crystal structure * skutterudite Subject RIV: CA - Inorganic Chemistry Impact factor: 2.138, year: 2010

  8. Passive Fe2+ : ZnSe single-crystal Q switch for 3-mu m lasers

    Voronov, AA; Kozlovskii, [No Value; Korostelin, YV; Podmar'kov, YP; Polushkin, VG; Frolov, MP

    Passive Q-switching of 3-mu m lasers with the help of a Fe2+ : ZnSe single crystal is demonstrated. The 6-mJ, 50-ns giant pulses are obtained from a 2.9364-mu m Er : YAG laser by using this passive Q switch.

  9. Synthesis, electronic transport and optical properties of Si:α-Fe2O3 single crystals

    Rettie, A.J.E.; Chemelewski, W.D.; Wygant, B.R.; Lindemuth, J.; Lin, J.F.; Eisenberg, D.; Brauer, C.S.; Johnson, T.J.; Beiswenger, T.N.; Ash, R.D.; Li, X.; Zhou, J.; Mullins, C.B.

    2016-01-01

    We report the synthesis of silicon-doped hematite (Si:alpha-Fe2O3) single crystals via chemical vapor transport, with Si incorporation on the order of 1019 cm(-3). The conductivity, Seebeck and Hall effect were measured in the basal plane between 200 and 400 K. Distinct differences in electron

  10. Batch adsorption of heavy metals (Cu, Pb, Fe, Cr and Cd) from ...

    cinthia

    This study was carried out to evaluate the efficiency of metals (Cu, Fe, Pb, Cr and Cd) removal from mixed metal ions solution using coconut husk as adsorbent. The effects of varying contact time, initial metal ion concentration, adsorbent dose and pH on adsorption process of these metals were studied using synthetically ...

  11. Ferromagnetism in Fe-doped transition metal nitrides

    Sharma, Ramesh; Sharma, Yamini

    2018-04-01

    Early transition metal mononitrides ScN and YN are refractory compounds with high hardness and melting points as well semiconducting properties. The presence of nitrogen vacancies in ScN/YN introduces asymmetric peaks in the density of states close to Fermi level, the same effects can be achieved by doping by Mn or Fe-atoms. Due to the substitution of TM atoms at Sc/Y sites, it was found that the p-d hybridization induces small magnetic moments at both Sc/Y and N sites giving rise to magnetic semiconductors (MS). From the calculated temperature dependent transport properties, the power factor and ZT is found to be lowered for doped ScN whereas it increases for doped YN. It is proposed that these materials have promising applications as spintronics and thermoelectric materials.

  12. Fe-based bulk metallic glasses used for magnetic shielding

    Serban, Va; Codrean, C; UTu, D [Politehnica University of Timisoara, Depart for Materials Science and Welding, 1, M. Viteazu Bvd., 300222, Timisoara (Romania); ErcuTa, A, E-mail: serban@mec.upt.r [West University of Timisoara, Faculty of Physics, 4, Vasile Parvan Bdv., Timisoara 300223 (Romania)

    2009-01-01

    The casting in complex shapes (tubular) and the main magnetic properties of bulk metallic glasses (BMG) alloys from the ferromagnetic Fe-Cr-Ni-Ga-P-Si-C system, with a small addition of Ni (3%) were studied. Samples as rods and sockets having the thickness up to 1 mm were obtained from master alloys by melt injection by low cooling rates into a Cu mold and annealed in order to ensure adequate magnetic requirements. The structure was examined by X-ray diffraction (XRD) and the basic magnetic properties (coercivity, magnetic remanence, initial susceptibility, etc.) were determined by conventional low frequency induction method. The experimental investigations on producing of BMG ferromagnetic alloys with 3% Ni show the possibility to obtain magnetic shields of complex shape with satisfactory magnetic properties. The presence of Ni does not affect the glass forming ability, but reduce the shielding capacity.

  13. Magnetic phase transitions and large mass enhancement in single crystal CaFe4As3

    Zhang Xiao-Dong; Wu Wei; Zheng Ping; Wang Nan-Lin; Luo Jian-Lin

    2012-01-01

    High quality single crystal CaFe 4 As 3 was grown by using the Sn flux method. Unlike layered CaFe 2 As 2 , CaFe 4 As 3 crystallizes in an orthorhombic three-dimensional structure. Two magnetic ordering transitions are observed at ∼ 90 K and ∼ 27 K, respectively. The high temperature transition is an antiferromagnetic(AF) ordering transition. However, the low temperature transition shows complex properties. It shows a ferromagnetic-like transition when a field is applied along b-axis, while antiferromagnetism-like transition when a field is applied perpendicular to b-axis. These results suggest that the low temperature transition at 27 K is a first-order transition from an AF state to a canted AF state. In addition, the low temperature electron specific heat coefficient reaches as high as 143 mJ/mol·K 2 , showing a heavy fermion behavior. (rapid communication)

  14. Preparation and structural characterization of FeCo epitaxial thin films on insulating single-crystal substrates

    Nishiyama, Tsutomu; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    FeCo epitaxial films were prepared on MgO(111), SrTiO 3 (111), and Al 2 O 3 (0001) single-crystal substrates by ultrahigh vacuum molecular beam epitaxy. The effects of insulating substrate material on the film growth process and the structures were investigated. FeCo(110) bcc films grow on MgO substrates with two type domains, Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) relationships. On the contrary, FeCo films grown on SrTiO 3 and Al 2 O 3 substrates include FeCo(111) bcc crystal in addition to the FeCo(110) bcc crystals with NW and KS relationships. The FeCo(111) bcc crystal consists of two type domains whose orientations are rotated around the film normal by 180 deg. each other. The out-of-plane and the in-plane lattice spacings of FeCo(110) bcc and FeCo(111) bcc crystals formed on the insulating substrates are in agreement with those of the bulk Fe 50 Co 50 (at. %) crystal with small errors ranging between +0.2% and +0.4%, showing that the strains in the epitaxial films are very small.

  15. Modulated magnetic structure of an inhomogeneous stressed single crystal FeBO3

    Sharipiv, M.Z.; Dzhuraev, D.R.; Sokolov, B.Yu.; Kurbanov, M.

    2010-01-01

    With the help of low-symmetry mechanical stresses, we induced an additional spatially inhomogeneous anisotropy in the basal plane of a single crystal FeBO 3 . By the magnetooptical method, we study the effect of an inhomogeneous magnetic anisotropy on the magnetic state of this easy-plane weak ferromagnetic. It is established that, at the magnetization of inhomogeneously stressed FeBO 3 in the basal plane near some separated direction, the crystal transits from the homogeneous state into a spatially modulated magnetic state. The latter can be represented in the form of a static spin wave, in which a local vector of ferromagnetism oscillates near the direction of the mean magnetization of a crystal, by remaining in the basal plane.

  16. Removal of FePO4 and Fe3(PO4)2 crystals on the surface of passive fillers in Fe0/GAC reactor using the acclimated bacteria

    Lai, Bo; Zhou, Yuexi; Yang, Ping; Wang, Juling; Yang, Jinghui; Li, Huiqiang

    2012-01-01

    Highlights: ► Fe 3 (PO 4 ) 2 and FePO 4 crystals would weaken treatment efficiency of Fe 0 /GAC reactor. ► Fe 3 (PO 4 ) 2 and FePO 4 crystals could be removed by the acclimated bacteria. ► FeS and sulfur in the passive film would be removed by the sulfur-oxidizing bacteria. ► Develop a cost-effective bio-regeneration technology for the passive fillers. - Abstract: As past studies presented, there is obvious defect that the fillers in the Fe 0 /GAC reactor begin to be passive after about 60 d continuous running, although the complicated, toxic and refractory ABS resin wastewater can be pretreated efficiently by the Fe 0 /GAC reactor. During the process, the Fe 3 (PO 4 ) 2 and FePO 4 crystals with high density in the passive film are formed by the reaction between PO 4 3− and Fe 2+ /Fe 3+ . Meanwhile, they obstruct the formation of macroscopic galvanic cells between Fe 0 and GAC, which will lower the wastewater treatment efficiency of Fe 0 /GAC reactor. In this study, in order to remove the Fe 3 (PO 4 ) 2 and FePO 4 crystals on the surface of the passive fillers, the bacteria were acclimated in the passive Fe 0 /GAC reactor. According to the results, it can be concluded that the Fe 3 (PO 4 ) 2 and FePO 4 crystals with high density in the passive film could be decomposed or removed by the joint action between the typical propionic acid type fermentation bacteria and sulfate reducing bacteria (SRB), whereas the PO 4 3− ions from the decomposition of the Fe 3 (PO 4 ) 2 and FePO 4 crystals were released into aqueous solution which would be discharged from the passive Fe 0 /GAC reactor. Furthermore, the remained FeS and sulfur (S) in the passive film also can be decomposed or removed easily by the oxidation of the sulfur-oxidizing bacteria. This study provides some theoretical references for the further study of a cost-effective bio-regeneration technology to solve the passive problems of the fillers in the zero-valent iron (ZVI) or Fe 0 /GAC reactor.

  17. The Impact of Template Types on Polyeugenol to the Adsorption Selectivity of Ionic Imprinted Polymer (IIP) Fe Metal Ion

    Djunaidi, M. C.; Haris, A.; Pardoyo; Rosdiana, K.

    2018-04-01

    The synthesis of IIP was carried out by variation of Fe(III) ion templates from Fe(NO3)3, K3[Fe(CN)6] and NH4Fe(SO4)2 compounds which then tested IIP selectivity to the Fe metal ions through adsorption process. Ionic Imprinted Polymer (IIP) is a method of printing metal ions bound in a polymer, subsequently released from the polymer matrix to produce a suitable imprint for the target ion. The purposes of this study were to produce IIP from Fe(NO3)3, K3[Fe(CN)6] and NH4Fe(SO4)2 templates, to know the effect of templates on adsorption selectivity of IIP involving imprint cavity, and to know the impact of metal competitor on the selectivity adsorption of IIP to the Fe metals. The results obtained showed that IIP synthesized by variations of Fe(NO3)3, K3[Fe(CN)6] and NH4Fe(SO4)2 templates were successfully synthesized. The adsorption selectivity of Fe (III) metal ion in the Fe(NO3)3 template was greater than that of in the K3[Fe(CN)6] and NH4Fe(SO4)2 templates. The adsorption selectivity of Fe was greater on Fe-Cr compared to on Fe-Cd and Fe-Pb.

  18. Crystal structure and magnetism of layered perovskites compound EuBaCuFeO5

    Lal, Surender; Mukherjee, K.; Yadav, C. S.

    2018-04-01

    Layered perovskite compounds have interesting multiferroic properties.YBaCuFeO5 is one of the layered perovskite compounds which have magnetic and dielectric transition above 200 K. The multiferroic properties can be tuned with the replacement of Y with some other rare earth ions. In this manuscript, structural and magnetic properties of layered perovskite compound EuBaCuFeO5 have been investigated. This compound crystallizes in the tetragonal structure with P4mm space group and is iso-structural with YBaCuFeO5. The magnetic transition has been found to shift to 120 K as compared to YBaCuFeO5 which has the transition at 200 K. This shift in the magnetic transition has been ascribed to the decrease in the chemical pressure that relaxes the magnetic moments.

  19. Effect of irradiation temperature on crystallization of {alpha}-Fe induced by He irradiations in Fe{sub 80}B{sub 20} amorphous alloy

    San-noo, Toshimasa; Toriyama, Tamotsu; Wakabayashi, Hidehiko; Iijima, Hiroshi [Musashi Inst. of Tech., Tokyo (Japan); Hayashi, Nobuyuki; Sakamoto, Isao

    1997-03-01

    Since amorphous alloys are generally highly resistant to irradiation and their critical radiation dose is an order of magnitude higher for Fe-B amorphous alloy than Mo-methods, these alloys are expected to become applicable as for fusion reactor materials. The authors investigated {alpha}-Fe crystallization in an amorphous alloy, Fe{sub 80}B{sub 20} using internal conversion electron Moessbauer spectroscopy. The amount of {alpha}-Fe component was found to increase by raising the He-irradiation dose. The target part was modified to enable He ion radiation at a lower temperature (below 400 K) by cooling with Peltier element. Fe{sub 80}B{sub 20} amorphous alloy was cooled to keep the temperature at 300 K and exposed to 40 keV He ion at 1-3 x 10{sup 8} ions/cm{sup 2}. The amount of {alpha}-Fe crystal in each sample was determined. The crystal formation was not observed for He ion radiation below 2 x 10{sup 18} ions/cm{sup 2}, but that at 3 x 10{sup 8} ions/ cm{sup 2} produced a new phase ({delta} +0.40 mm/sec, {Delta} = 0.89 mm/sec). The decrease in the radiation temperature from 430 to 300 K resulted to extremely repress the production of {alpha}-Fe crystal, suggesting that the crystallization induced by He-radiation cascade is highly depending on the radiation temperature. (M.N.)

  20. Liquid crystal based optical platform for the detection of Pb2+ ions using NiFe2O4 nanoparticles

    Zehra, Saman; Gul, Iftikhar Hussain; Hussain, Zakir

    2018-06-01

    A simple, sensitive, selective and real time detection protocol was developed for Pb2+ ions in water using liquid crystals (LCs). In this method, NiFe2O4 nanoparticles were synthesized using chemical co-precipitation method. Crystallite size, morphological, functional groups and magnetization studies were confirmed using X-ray diffraction, Scanning Electron Microscopy, and Fourier transform infrared spectroscopy techniques, respectively. The nanoparticles were mono dispersed with average particle size of 20 ± 2 nm. The surfactant stabilized magnetic nanoparticles were incubated in liquid crystal based sensor system for the detection of Pb+2 ions. The bright to dark transition of LC was observed through optical microscope. When this system was further immersed with a solution containing Pb2+ ions, it caused homeotropic to planar orientation of LC. This interaction is attributed to the presence of abundant hydroxyl groups in such as M-OH, Fe-OH on the surface of spinel ferrites nanoparticles. These groups interact with metal ions at aqueous interface, causing disruption in LCs orientation giving bright texture. This sensor showed higher selectivity towards Pb2+ ions. The detection limit was estimated to be 100 ppb. The cheap and effective protocol reported here should make promising development of LC based sensor for lead ion detection.

  1. Synthesis and characterizations of two anhydrous metal borophosphates: MIII2BP3O12 (M=Fe, In)

    Zhang Weilong; Lin Chensheng; Geng Lei; Li Yeyu; Zhang Hao; He Zhangzhen; Cheng Wendan

    2010-01-01

    Two members of M III 2 BP 3 O 12 borophosphates, namely Fe 2 BP 3 O 12 and In 2 BP 3 O 12 , were synthesized by the solid-state method and characterized by the X-ray single crystal diffraction, the powder diffraction and the electron microscopy. They both crystallize in the hexagonal system, space group P6(3)/m (no. 176) and feature 3D architectures, build up of the M 2 O 9 units and B(PO 4 ) 3 groups via sharing the corners; however, they are not isomorphic for the different crystallographically distinct atomic positions. Optical property measurements of both compounds and magnetic susceptibility measurements of Fe 2 BP 3 O 12 also have been performed. Moreover, in order to gain further insights into the relationship between physical properties and band structure of the M III 2 BP 3 O 12 borophosphates, theoretical calculations based on density functional theory (DFT) were performed using the total-energy code CASTEP. - Graphical abstract: Two anhydrous metal borophosphates of M III 2 BP 3 O 12 (M=Fe, In) have been prepared and characterized. They both crystallize in the hexagonal system, space group P6(3)/m (no. 176) and feature 3D architectures build up of the M 2 O 9 units and B(PO 4 ) 3 groups via sharing the corners, but they are not isomorphic for the different crystallographically distinct atomic positions.

  2. Formation of bulk metallic glasses in the Fe-M-Y-B (M = transition metal) system

    Huang, X.M. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chang, C.T. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Chang, Z.Y.; Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Shen, B.L.; Inoue, A. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Jiang, J.Z. [International Center for New-Structured Materials (ICNSM) and Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)], E-mail: jiangjz@zju.edu.cn

    2008-07-28

    In this work, quaternary Fe{sub 72-x}M{sub x}Y{sub 6}B{sub 22} (M = Ni, Co and Mo) bulk metallic glasses (BMGs) have been developed. It is found that a fully amorphous Fe{sub 68}Mo{sub 4}Y{sub 6}B{sub 22} cylindrical rod with 6.5 mm in diameter can be prepared by copper mold injection. These alloys have a high glass transition temperature of about 900 K with high fracture strengths up to about 3 GPa although they are still brittle. Magnetic measurements reveal that they are ferromagnetic at ambient temperature with low coercive force of about 2 A/m, saturation magnetization of about 0.7 T and effective permeability of about 7000 at 100 kHz. The newly developed Fe-based quaternary alloys exhibit excellent combination properties: superior glass forming ability (GFA), high glass transition temperature, and soft magnetic properties, which could have potential applications in electronic industries. Furthermore, the effect of Mo addition on GFA in the Fe-Y-B BMG system has been discussed compared with those of Ni and Co additions.

  3. Ultralong Lifespan and Ultrafast Li Storage: Single-Crystal LiFePO4 Nanomeshes.

    Zhang, Yan; Zhang, Hui Juan; Feng, Yang Yang; Fang, Ling; Wang, Yu

    2016-01-27

    A novel LiFePO4 material, in the shape of a nanomesh, has been rationally designed and synthesized based on the low crystal-mismatch strategy. The LiFePO4 nanomesh possesses several advantages in morphology and crystal structure, including a mesoporous structure, its crystal orientation that is along the [010] direction, and a shortened Li-ion diffusion path. These properties are favorable for their application as cathode in Li-ion batteries, as these will accelerate the Li-ion diffusion rate, improve the Li-ion exchange between the LiFePO4 nanomesh and the electrolyte, and reduce the Li-ion capacitive behavior during Li intercalation. So the LiFePO4 nanomesh exhibits a high specific capacity, enhanced rate capability, and strengthened cyclability. The method developed here can also be extended to other similar systems, for instance, LiMnPO4 , LiCoPO4 , and LiNiPO4 , and may find more applications in the designed synthesis of functional materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Nano size crystals of goethite, α-FeOOH: Synthesis and thermal transformation

    Christensen, Axel Nørlund; Jensen, Torben R.; Bahl, Christian R. H.; DiMasi, Elaine

    2007-04-01

    An aqueous suspension of amorphous iron(III) hydroxide was kept at room temperature (298 K) for 23 years. During this period of time the pH of the liquid phase changed from 4.3 to 2.85, and nano size crystals of goethite, α-FeOOH crystallised from the amorphous iron(III) hydroxide. Transmission electron microscopy (TEM) investigations, Mössbauer spectra, and powder X-ray diffraction using Co K α radiation showed that the only iron containing crystalline phase present in the recovered product was α-FeOOH. The size of these nano particles range from 10 to 100 nm measured by TEM. The thermal decomposition of α-FeOOH was investigated by time-resolved in situ synchrotron radiation powder X-ray diffraction and the data showed that the sample of α-FeOOH transformed to α-Fe 2O 3 in the temperature range 444-584 K. A quantitative phase analysis shows the increase in scattered X-ray intensity from α-Fe 2O 3 to follow the decrease of intensity from α-FeOOH in agreement with the topotactic phase transition.

  5. Crystal growth and characterization of CeFe{sub 1-x}Ru{sub x} PO

    Balle, Tanita; Kliemt, Kristin; Krellner, Cornelius [Goethe Universitaet Frankfurt, Kristall- und Materiallabor (Germany)

    2016-07-01

    CeRuPO is a one of the few heavy fermion systems, which order ferromagnetically at low temperatures (T{sub C} = 15 K), because of dominant RKKY-interaction. CeFePO on the other hand shows no long-range magnetic order even at low temperatures because of dominant Kondo effect (T{sub K} = 10 K). By substituting CeFePO with ruthenium we can reach a quantum critical point, at which the RKKY-interaction and the Kondo effect are equally strong. To study the quantum critical point, and to enlighten the question if the order stays ferromagnetically down to lowest temperatures, high quality crystals are needed. Here, the growth and characterization of the single crystals will be discussed. We obtained mm-sized single crystals of the unsubstituted CeRuPO and CeFePO by a modified Bridgeman method using tin as a flux. The quality of the crystals was verified by Powder-X-Ray-Diffraction, energy dispersive X-ray spectroscopy and Laue backscattering.

  6. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  7. Shielding of electromagnetic fields by metallic glasses with Fe and Co matrix

    Nowosielski, R.; Griner, S.

    1997-01-01

    The influence of chemical composition and magnetic and electric properties for shielding of electromagnetic fields with frequency 10-1000 kHz, by metallic glasses has been analysed. For investigation were selected two groups of metallic glasses with matrix of Fe and Co. Particularly, in there were selected metallic glasses as follows; Fe 78 Si 9 B 13 , Co 68 Fe 4 Mo 1.5 Si 13.5 B 13 , Co 69 Mo 2 Fe 4 Si 14 B 11 , Co 70.5 Fe 2.5 Mn 4 Mo 1 Si 9 B 15 . The experiments were realised for casting metallic glasses by the CMBS method in the form of strips with width 10 mm. Obtained results of shielding indicate clear for very good shielding effectiveness of one layer shields both electric and magnetic components of electromagnetic fields, although shielding of magnetic component is smaller than electric. (author). 17 refs, 5 figs, 9 tabs

  8. Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3

    Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip

    2015-01-01

    The thermal evolution of the crystal structure of the prototypical orthorhombic perovskite LaFeO 3 has been studied in detail by powder neutron diffraction in the temperature range 25FeO 3 . However, an unexpected behavior is seen in the nature of the intra-octahedral distortion, which is used to rationalize the unique occurrence of a temperature dependent crossover of the a and c unit cell metrics in this compound. - Graphical abstract: The unusual thermal evolution of lattice metrics in the perovskite LaFeO 3 is rationalized from a detailed powder neutron diffraction study. - Highlights: • Crystal structure of the perovskite LaFeO 3 studied in detail by powder neutron diffraction. • Unusual thermal evolution of lattice metrics rationalized. • Contrasting behavior to Bi-doped LaFeO 3 . • Octahedral distortion/tilt parameters explain unusual a and c lattice parameter behavior

  9. Viscosity of SiO2-"FeO"-Al2O3 System in Equilibrium with Metallic Fe

    Chen, Mao; Raghunath, Sreekanth; Zhao, Baojun

    2013-08-01

    The present study delivered the measurements of viscosities in SiO2-"FeO"-Al2O3 system in equilibrium with metallic Fe. The rotational spindle technique was used in the measurements at the temperature range of 1473 K to 1773 K (1200 °C to 1500 °C). Molybdenum crucibles and spindles were employed in all measurements. The Fe saturation condition was maintained by an iron plate placed at the bottom of the crucible. The equilibrium compositions of the slags were measured by EPMA after the viscosity measurements. The effect of up to 20 mol. pct Al2O3 on the viscosity of the SiO2-"FeO" slag was investigated. The "charge compensation effect" of the Al2O3 and FeO association has been discussed. The modified quasi-chemical viscosity model has been optimized in the SiO2-"FeO"-Al2O3 system in equilibrium with metallic Fe to describe the viscosity measurements of the present study.

  10. Characterization of metal-bound water in bioactive Fe(III)-cyclophane complexes

    Salazar-Medina, A. J.; Gámez-Corrales, R.; Ramírez, J. Z.; González-Aguilar, G. A.; Velázquez-Contreras, E. F.

    2018-02-01

    Binuclear Fe(III) complexes, Fe2PO and Fe2PC, have functions of antioxidants as well as superoxide dismutase and peroxidase mimickers. The role of water molecules in the non-cytotoxic properties of these complexes have been studied by thermogravimetric and IR/Raman-spectroscopic methods. The thermogravimetric analysis of Fe2PO shows the presence of nine water molecules (Fe2PO·9H2O), three of which are directly coordinated to the metallic ion; the remaining six molecules occupy the secondary coordination sphere. For Fe2PC, eight water molecules were detected (Fe2PC·8H2O), and only one of them directly coordinates to the metallic ion. IR/Raman spectrum analyses corroborate the presence of water molecules in both metallic complexes and the mode of coordination to the ligand, on the basis of bands characteristic of hydration water at ∼3300 cm-1 and bands of adsorbed water between 430 and 490 cm-1. A pentacoordinate geometry is proposed for Fe2PO and a hexacoordinated geometry for Fe2PC. Those results are consistent with theoretical calculations performed through a semiempirical PM7 method. The presence of coordinated water molecules is closely related to the reactivity of Fe2PO and Fe2PC in solution.

  11. Crystallization history of enriched shergottites from Fe and Mg isotope fractionation in olivine megacrysts

    Collinet, Max; Charlier, Bernard; Namur, Olivier; Oeser, Martin; Médard, Etienne; Weyer, Stefan

    2017-06-01

    Martian meteorites are the only samples available from the surface of Mars. Among them, olivine-phyric shergottites are basalts containing large zoned olivine crystals with highly magnesian cores (Fo 70-85) and rims richer in Fe (Fo 45-60). The Northwest Africa 1068 meteorite is one of the most primitive "enriched" shergottites (high initial 87Sr/86Sr and low initial ε143Nd). It contains olivine crystals as magnesian as Fo 77 and is a major source of information to constrain the composition of the parental melt, the composition and depth of the mantle source, and the cooling and crystallization history of one of the younger magmatic events on Mars (∼180 Ma). In this study, Fe-Mg isotope profiles analyzed in situ by femtosecond-laser ablation MC-ICP-MS are combined with compositional profiles of major and trace elements in olivine megacrysts. The cores of olivine megacrysts are enriched in light Fe isotopes (δ56FeIRMM-14 = -0.6 to -0.9‰) and heavy Mg isotopes (δ26MgDSM-3 = 0-0.2‰) relative to megacryst rims and to the bulk martian isotopic composition (δ56Fe = 0 ± 0.05‰, δ26Mg = -0.27 ± 0.04‰). The flat forsterite profiles of megacryst cores associated with anti-correlated fractionation of Fe-Mg isotopes indicate that these elements have been rehomogenized by diffusion at high temperature. We present a 1-D model of simultaneous diffusion and crystal growth that reproduces the observed element and isotope profiles. The simulation results suggest that the cooling rate during megacryst core crystallization was slow (43 ± 21 °C/year), and consistent with pooling in a deep crustal magma chamber. The megacryst rims then crystallized 1-2 orders of magnitude faster during magma transport toward the shallower site of final emplacement. Megacryst cores had a forsterite content 3.2 ± 1.5 mol% higher than their current composition and some were in equilibrium with the whole-rock composition of NWA 1068 (Fo 80 ± 1.5). NWA 1068 composition is thus close to a

  12. Magnetic activity at infrared frequencies in structured metallic photonic crystals

    O'Brien, S.; Pendry, J.P.

    2002-01-01

    We derive the effective permeability and permittivity of a nanostructured metallic photonic crystal by analysing the complex reflection and transmission coefficients for slabs of various thicknesses. These quantities were calculated using the transfer matrix method. Our results indicate that these structures could be used to realize a negative effective permeability, at least up to infrared frequencies. The origin of the negative permeability is a resonance due to the internal inductance and capacitance of the structure. We also present an analytic model for the effective permeability of the crystal. The model reveals the importance of the inertial inductance due to the finite mass of the electrons in the metal. We find that this contribution to the inductance has implications for the design of metallic magnetic structures in the optical region of the spectrum. We show that the magnetic activity in the structure is accompanied by the concentration of the incident field energy into very small volumes within the structure. This property will allow us to considerably enhance non-linear effects with minute quantities of material. (author)

  13. Crystallization kinetics of Fe-B based amorphous alloys studied in-situ using X-rays diffraction and differential scanning calorimetry

    Santos D.R. dos

    2001-01-01

    Full Text Available The crystallization processes for the amorphous metallic alloys Fe74B17Si2Ni4Mo3 and Fe86B6Zr7Cu1 (at. % were investigated using X-rays diffraction measurements performed in-situ during Joule-heating, with simultaneous monitoring of the electrical resistance. We determined the main structural transitions and crystalline phases formed during heating, and correlated these results to the observed resistance variations. As the annealing current is increased, the resistance shows an initial decrease due to stress relaxation, followed by a drop to a minimum value due to massive nucleation and growth of alpha-Fe nanocrystals. Further annealing causes the formation of small fractions of Fe-B, B2Zr or ZrO2, while the resistance increases due to temperature enhancement. In situ XRD measurements allowed the identification of metastable phases, as the gamma-Fe phase which occurs at high temperatures. The exothermal peaks observed in the differential scanning calorimetry (DSC for each alloy corroborate the results. We also have performed DSC measurements with several heating rates, which allowed the determination of the Avrami exponent and crystallization activation energy for each alloy. The obtained activation energies (362 and 301 kJ/mol for Fe-B-Zr-Cu; 323 kJ/mol for Fe-B-Si-Ni-Mo are comparable to reported values for amorphous iron alloys, while the Avrami exponent values (n = 1.0 or n = 1.2 are consistent with diffusion controlled crystallization processes with nucleation rates close to zero.

  14. Crystal structure of a Ce2Fe2Mg15 compound

    Opainich, I.M.; Pavlyuk, V.V.; Bodak, O.I.

    1996-01-01

    A structure of a new Ce2Fe2Mg15 ternary compound (P63/mmc sp.gr., a=1.0324(5) nm, c=1.02080(4) nm) was determined by powder methods on a DRON-4.07 automatic diffractometer. The structure of a Ce2Fe2Mg15 crystal is a new variant of the ordered Th2Ni17 type superstructure, in which cerium atoms occupy the thorium positions; magnesium atoms occupy the nickel position 6g, 12k, and 12j; and iron atoms occupy the 4f position

  15. Crystal growth and properties of PbI2 doped with Fe and Ni

    Rybak, O.V.; Lun', Yu.O.; Bordun, I.M.; Omelyan, M.F.

    2005-01-01

    A procedure is described for doping PbI 2 monocrystals with Fe and Ni during vapor-phase growth in a closed system in the presence of excess iodine. The rate of mass transfer in the system and the doping level of the crystals are shown to be governed by the dopant content in the source material and the source temperature. The effect of Fe and Ni doping on the low-temperature (5 K) exciton photoluminescence spectrum of PbI 2 is discussed [ru

  16. Spin-waves in antiferromagnetic single crystal LiFePO$_4$

    Li, Jiying; Garlea, Vasile O.; Zarestky, Jerel L.; Vaknin, David

    2005-01-01

    Spin-wave dispersions in the antiferromagnetic state of single crystal LiFePO$_4$ were determined by inelastic neutron scattering measurements. The dispersion curves measured from the (010) reflection along both {\\it a}$^\\ast$ and {\\it b}$^\\ast$ reciprocal-space directions reflect the anisotropic coupling of the layered Fe$^{2+}$ (S = 2) spin-system. The spin-wave dispersion curves were theoretically modeled using linear spin-wave theory by including in the spin-Hamiltonian in-plane nearest- ...

  17. Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

    Xiong, Lun; Yi, Lin; Gao, G.Y.

    2014-01-01

    We investigate the electronic structure and magnetic properties of the twelve quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb) by using the first-principles calculations. It is shown that only CoFeTiSi, CoFeTiAs and CoFeVSb are half-metallic ferromagnets with considerable half-metallic gaps of 0.31, 0.18 and 0.17 eV, respectively. CoFeTiAl and CoFeTiGa are conventional semiconductors, and other alloys exhibit nearly half-metallicity or their half-metallic gaps are almost zero eV. We also find that the half-metallicities of CoFeTiSi, CoFeTiAs and CoFeVSb can be preserved under appropriate uniform and in-plane strains. The considerable half-metallic gaps and the robust half-metallicities under uniform and in-plane strains make CoFeTiSi, CoFeTiAs and CoFeVSb promising candidates for spintronic applications. - Highlights: • CoFeTiSi, CoFeTiAs and CoFeVSb have considerable half-metallic gaps. • Total magnetic moments obey the Slater–Pauling behavior of quaternary Heusler half-metals. • CoFeTiSi, CoFeTiAs and CoFeVSb retain half-metallicity under uniform and in-plane strains

  18. Ordered macro-microporous metal-organic framework single crystals

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  19. Ordered macro-microporous metal-organic framework single crystals

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  20. Ordered macro-microporous metal-organic framework single crystals

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  1. Effect of crystal alignment on the remanence of sintered NdFeB magnets

    Kawai, T.; Ma, B.M.; Sankar, S.G.; Wallace, W.E.

    1990-01-01

    Nd 15.4 Fe 77.8 B 6.8 magnets of various degrees of crystal alignment have been prepared by the conventional powder metallurgy technique. The alignment of these magnets have been determined by x-ray diffraction and fitting the standard deviation of a Gaussian distribution for the relative intensity versus the angle between the normals of (hkl) and the tetragonal c axis. The standard deviation is a good indicator for crystal alignment. An aligning field of 8 kOe is found to be essential to obtain a well-aligned NdFeB magnet. The remanence of sintered magnets is directly affected by the crystal alignment. Furthermore, the effect of crystal alignment on the remanence follows the theoretical prediction of the Stoner--Wohlfarth model. Below the spin reorientation temperature, the effect of crystal alignment on the shape of hysteresis loop becomes more significant. The remanences extrapolated from first and second quadrant of the hysteresis loops have been found to be consistent with the prediction of Stoner--Wohlfarth model

  2. Magnetic susceptibility of one-dimensional ferromagnetic CsFeCl3 crystals

    Tsuboi, T.; Chiba, M.

    1989-01-01

    The parallel and perpendicular magnetic susceptibilities of one-dimensional ferromagnetic CsFeCl 3 crystals have been calculated from magnetization measured as a function of temperature in the range 0 to 70 K by means of a superconducting quantum interference device (SQUID). The experimental results have been compared with data from the literature for other Cs-and Rb-containing crystals with ferromagnetic or antiferromagnetic linear chains. Reliable values of the exchange and anisotropy energies can be estimated from experimental susceptibility data using theoretical g-values and the dynamical correlated-effective field approximation

  3. Connection between twinning and brittle fracture in Fe-Cr-Co-Mo crystals

    Kirillov, V.A.; Chumlyakov, Yu.I.; Korotaev, A.D.; Aparova, L.A.

    1989-01-01

    Plasticity dependence on crystal orientation, on deformation temperature and structure state of alloy is investigated in Fe-28 % Cr-10 % Co-2 % Mo (at. %) monocrystals. Isostructure decomposition results in increase of critical shearing stresses τ cr , in change of deformation mechanism from slipping into twinning and abrupt reduction of plasticity. Brittleness - ductility transition is detected in high-stable structure states τ cr >280 MPa. Explanation of plasticity abrupt reduction of high-stable crystals using estimation of change of deformation mechanism and of deforming stress high level is given

  4. Bulk photovoltaic effect in LiTaO3 : Fe crystals

    Karabekyan, S.I.; Odoulov, S.G.

    1991-01-01

    The bulk photovoltaic effect that arises in non centrosymmetric crystals is determined by the third rank tensor. In this work four independent components of photovoltaic tensor, responsible for 'linear' photovoltaic currents, are measured for the first time for LiTaO 3 : Fe crystals in the range of photon energy from 2.07 to 3.88 eV. The observed correlation of the spectral dependences of β 15 and β 22 components indicates common origin of the transverse photovoltaic currents in this material

  5. Structural and magnetic properties of Fe{sub x}Ni{sub 100−x} alloys synthesized using Al as a reducing metal

    Srakaew, N. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Jantaratana, P., E-mail: fscipsj@ku.ac.th [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Nipakul, P. [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900 (Thailand); Sirisathitkul, C. [Molecular Technology Research Unit, School of Science, Walailak University, Nakhon Si Thammarat 80161 (Thailand)

    2017-08-01

    Highlights: • Reduction by aluminum is a simple and safe route to synthesize iron-nickel alloys. • Alloy compositions with up to 90 at.% Fe can be obtained with minimal oxidation. • Morphology and magnetic properties are varied with the alloy composition. - Abstract: Iron-nickel (Fe-Ni) alloys comprising nine different compositions were rapidly synthesized from the redox reaction using aluminum foils as the reducing metal. Compared with conventional chemical syntheses, this simple approach is relatively safe and allows control over the alloy morphology and magnetic behavior as a function of the alloy composition with minimal oxidation. For alloys having low (10%–30%) Fe content the single face-centered cubic (FCC) FeNi{sub 3} phase was formed with nanorods aligned in the (1 1 1) crystalline direction on the cluster surface. This highly anisotropic morphology gradually disappeared as the Fe content was raised to 40%–70% with the alloy structure possessing a mixture of FCC FeNi{sub 3} and body-centered cubic (BCC) Fe{sub 7}Ni{sub 3}. The FCC phase was entirely replaced by the BCC structure upon further increase the Fe content to 80%–90%. The substitution of Ni by Fe in the crystals and the dominance of the BCC phase over the FCC structure gave rise to enhanced magnetization. By contrast, the coercive field decreased as a function of increasing Fe because of the reduction in shape anisotropy and the rise of saturation magnetization.

  6. Thin film pc-Si by aluminium induced crystallization on metallic substrate

    Cayron C.

    2013-04-01

    Full Text Available Thin film polycrystalline silicon (pc-Si on flexible metallic substrates is promising for low cost production of photovoltaic solar cells. One of the attractive methods to produce pc-Si solar cells consists in thickening a large-grained seed layer by epitaxy. In this work, the deposited seed layer is made by aluminium induced crystallization (AIC of an amorphous silicon (a-Si thin film on metallic substrates (Ni/Fe alloy initially coated with a tantalum nitride (TaN conductive diffusion barrier layer. Effect of the thermal budget on the AIC grown pc-Si seed layer was investigated in order to optimize the process (i.e. the quality of the pc-Si thin film. Structural and optical characterizations were carried out using optical microscopy, μ-Raman and Electron Backscatter Diffraction (EBSD. At optimal thermal annealing conditions, the continuous AIC grown pc-Si thin film showed an average grain size around 15 μm. The grains were preferably (001 oriented which is favorable for its epitaxial thickening. This work proves the feasibility of the AIC method to grow large grains pc-Si seed layer on TaN coated metal substrates. These results are, in terms of grains size, the finest obtained by AIC on metallic substrates.

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

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

    2009-01-01

    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 50 Co 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

  8. The Role of Surface Tension in the Crystallization of Metal Halide Perovskites

    Zhumekenov, Ayan A.; Burlakov, Victor M.; Saidaminov, Makhsud I.; Alofi, Abdulilah; Haque, Mohammed; Turedi, Bekir; Davaasuren, Bambar; Dursun, Ibrahim; Cho, Nam Chul; El-Zohry, Ahmed M.; de Bastiani, Michele; Giugni, Andrea; Torre, Bruno; Di Fabrizio, Enzo M.; Mohammed, Omar F.; Rothenberger, Alexander; Wu, Tao; Goriely, Alain; Bakr, Osman

    2017-01-01

    The exciting intrinsic properties discovered in single crystals of metal halide perovskites still await their translation into optoelectronic devices. The poor understanding and control of the crystallization process of these materials are current

  9. Ball-milling-induced crystallization and ball-milling effect on thermal crystallization kinetics in an amorphous FeMoSiB alloy

    Guo, F.Q.; Lu, K.

    1997-01-01

    Microstructure evolution in a melt-spun amorphous Fe 77.2 Mo 0.8 Si 9 B 13 alloy subjected to high-energy ball milling was investigated by means of X-ray diffraction (XRD), a transmission electron microscope (TEM), and a differential scanning calorimeter (DSC). It was found that during ball milling, crystallization occurs in the amorphous ribbon sample with precipitation of an α-Fe solid solution, and the amorphous sample crystallizes completely into a single α-Fe nanostructure (rather than α-Fe and borides as in the usual thermal crystallization products) when the milling time exceeds 135 hours. The volume fraction of material crystallized was found to be approximately proportional to the milling time. The fully crystallized sample with a single α-Fe nanophase exhibits an intrinsic thermal stability against phase separation upon annealing at high temperatures. The ball-milling effect on the subsequent thermal crystallization of the amorphous phase in an as-milled sample was studied by comparison of the crystallization products and kinetic parameters between the as-quenched amorphous sample and the as-milled sample was studied by comparison of the crystallization products and kinetic parameters between the as-quenched amorphous sample and the as-milled partially crystallized samples. The crystallization temperatures and activation energies for the crystallization processes of the residual amorphous phase were considerably decreased due to ball milling, indicating that ball milling has a significant effect on the depression of thermal stability of the residual amorphous phase

  10. At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO3.

    Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi

    2015-10-01

    A natural single crystal of the ferrimagnetic oxide FeCrO3, which was found in an opencast mine situated in the San Luis Potosí State in Mexico, has been characterized in order to elucidate some outstanding issues about the actual structure of this material. The single-crystal X-ray analysis unambiguously shows that transition metal cations are segregated in alternating layers normal to the threefold crystallographic axis, affording a structure isomorphous to that of ilmenite (FeTiO3), in the space group R3̅. The possible occurrence of cation antisite and vacancy defects is below the limit of detection available from X-ray data. Structural and magnetic results are in agreement with the coherent slow intergrowth of magnetic phases provided by the two antiferromagnetic corundum-type parent oxides Fe2O3 (hematite) and Cr2O3 (eskolaite). Our results are consistent with the most recent density functional theory (DFT) studies carried out on digital FeCrO3 [Sadat Nabi & Pentcheva (2011). Phys. Rev. B, 83, 214424], and suggest that synthetic samples of FeCrO3 might present a cation distribution different to that of the ilmenite structural type.

  11. Room temperature exchange bias in SmFeO_3 single crystal

    Wang, Xiaoxiong; Cheng, Xiangyi; Gao, Shang; Song, Junda; Ruan, Keqing; Li, Xiaoguang

    2016-01-01

    Exchange bias phenomenon is generally ascribed to the unidirectional magnetic shift along the field axes at interface of two magnetic materials. Room temperature exchange bias is found in SmFeO_3 single crystal. The behavior after different cooling procedure is regular, and the training behavior is attributed to the athermal training and its pinning origin is attributed to the antiferromagnetic clusters. Its being single phase and occurring at room temperature make it an appropriate candidate for application. - Graphical abstract: Room temperature exchange bias was found in oxide single crystal. Highlights: • Room temperature exchange bias has been discovered in single-crystalline SmFeO_3. • Its pinning origin is attributed to the antiferromagnetic clusters. • Its being single phase and occurring at room temperature make it an appropriate candidate for application.

  12. Paramagnetic resonance and susceptibility of ilmenite, FeTiO3 crystal

    Mcdonald, P. F.; Parasiris, A.; Pandey, R. K.; Gries, B. L.; Kirk, W. P.

    1991-01-01

    Large high-purity single crystals of FeTiO3 with ilmenite structure have been grown from a stoichiometric melt of Fe2O3 and TiO2 under an inert atmosphere using the modified Czochralski technique. Susceptibility and X-band paramagnetic resonance studies have been performed. Susceptibility measurements indicate a Neel temperature of about 59 K. The paramagnetic resonance spectrum for magnetic field perpendicular to the crystal c axis consists of a portion of a single, very intense approximately Lorentzian absorption line with its peak at about 600 G and half width at half maximum almost 1200 G. The absorption extends to zero magnetic field. For magnetic field approximately parallel to the c axis, the paramagnetic absorption is much smaller and may be considered a superposition of two approximately Lorentzian line shapes. The magnetic resonance measurements indicate a weak temperature dependence and large angular anisotropy.

  13. Spin-waves in Antiferromagnetic Single-crystal LiFePO4

    Li, Jiying; Garlea, Vasile O.; Zarestky, Jarel; Vaknin, D.

    2006-01-01

    Spin-wave dispersions in the antiferromagnetic state of single-crystal LiFePO 4 were determined by inelastic neutron scattering measurements. The dispersion curves measured from the (0,1,0) reflection along both a* and b* reciprocal-space directions reflect the anisotropic coupling of the layered Fe 2+ (S=2) spin system. The spin-wave dispersion curves were theoretically modeled using linear spin-wave theory by including in the spin Hamiltonian in-plane nearest- and next-nearest-neighbor interactions (J 1 and J 2 ), inter-plane nearest-neighbor interactions (J(perpendicular)) and a single-ion anisotropy (D). A weak (0,1,0) magnetic peak was observed in elastic neutron scattering studies of the same crystal indicating that the ground state of the staggered iron moments is not along the (0,1,0) direction, as previously reported from polycrystalline samples studies, but slightly rotated away from this axis.

  14. The effect of temperature on the crystallization of α-Fe2O3 particles from dense β-FeOOH suspensions

    Zic, Mark; Ristic, Mira; Music, Svetozar

    2010-01-01

    The effect of temperature on the crystallization of α-Fe 2 O 3 particles from dense β-FeOOH suspensions was monitored by 57 Fe Moessbauer spectroscopy, X-ray powder diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy and energy dispersive spectroscopy. Dense suspensions of very long laterally arranged β-FeOOH fibrils were obtained at 90 deg. C. Crystallization at 120 deg. C between 18 and 72 h yielded monodisperse α-Fe 2 O 3 particles of a shape close to that of double spheres with ring. The double spheres with ring showed two narrow particle size distributions. In these particles a substructure was detected, i.e., the spheres consisted of the linear chains of interconnected α-Fe 2 O 3 subparticles. With further rise in the crystallization temperature the increase in α-Fe 2 O 3 particles and porosity became pronounced. Obviously, the aggregation mechanism played an important role in the formation of α-Fe 2 O 3 particles.

  15. Moessbauer diffraction study of the Neel phase transition in Fe3BO6 crystal

    Kovalenko, P.P.; Labushkin, V.G.; Sarkisov, Eh.R.; Tolpekin, I.G.

    1987-01-01

    Phase transitions in a 57 Fe 3 BO 6 monocrystal in the vicinity of the Neel point, T N =507.5 K were investigated by means of the Moessbauergraphy. For the first time the relaxation type of Moessbauer spectra was observed near the phase transition point. First in the Moessbauer diffraction spectrum of the crystal the simultaneous presence of a component resulted from magnetic ordering and a paramagnetic component was observed

  16. Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

    Khalaf Al-zyadi, Jabbar M., E-mail: jabbar_alzyadi@yahoo.com [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Jolan, Mudhahir H. [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Yao, Kai-Lun, E-mail: klyao@mail.hust.edu.cn [School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); International Center of Materials Physics, Chinese Academy of Sciences, Shenyang 110015 (China)

    2016-04-01

    Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se–P configuration while Se–Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than the Se–P one. The calculated magnetic moments of Se, Ga at the Se–Ga (111) interface and P at the Se–P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se–P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se–Ga and Se–P (111) interfaces decrease compared to the bulk values. - Highlights: • The half-metallicity verified in the bulk FeCrSe is kept at the CrSe-terminated (001) and Se-terminated (111) surfaces. • The calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than Se–P. • The magnetic moments of Se, Ga and P atoms at the interface increase. • The Se–Ga interface shows nearly 100% spin polarization.

  17. Reduction of crystallization temperature of the Nd-Fe-B thin films by Cu addition

    Ma Yungui; Yang Zheng; Matsumoto, M.; Morisako, A.; Takei, S.

    2004-01-01

    Nonmagnetic Cu element has been doped into the sputtered Nd-Fe-B thin films. It is found that the introduction of suitable amount of copper atoms could reduce the crystallization temperature of the 2:14:1 phase by near 100 deg. C, compared with that without Cu. For the 15 nm Nd 16 Fe 70.2 Cu 1.8 B 12 film deposited at 340 deg. C, perpendicular coercivity and remanent magnetization ratio of 350 kA/m and 0.96 have been successfully obtained. Cu addition would lead to the grain growth, but the average grain size in the films could be greatly decreased through lowering the deposition temperature. These results are compared with those found in the fabrication of FePtCu films

  18. Crystal structure and electrical resistivity studies of Gd(Fe1-x Cox)2 intermetallics

    Onak, M.; Guzdek, P.; Stoch, P.; Chmist, J.; Bednarski, M.; Panta, A.; Pszczola, J.

    2007-01-01

    From X-ray analysis (295 K) it was found that the cubic, MgCu 2 -type, Fd3m crystal structure appears across the Gd(Fe 1-x Co x ) 2 series. Electrical resistivity measurements for the Gd(Fe 1-x Co x ) 2 intermetallics were performed in a wide temperature region and the parameters characterizing the resistivity dependence on temperature and composition were determined. The differential of the electrical resistivity against temperature was used to estimate Curie temperatures. The Curie temperature versus x, high and moderately increasing in the iron-rich area, rapidly drops in the cobalt-rich region. The obtained results are compared with the data known for the Dy(Fe 1-x Co x ) 2 series. The Curie temperature is related to both the number of 3d electrons and the de Gennes factor

  19. Magnetocrystalline two-fold symmetry in CaFe2O4 single crystal

    Gandhi, Ashish Chhaganlal; Das, Rajasree; Chou, Fang-Cheng; Lin, Jauyn Grace

    2017-01-01

    Understanding of magnetocrystalline anisotropy in CaFe 2 O 4 is a matter of importance for its future applications. A high quality single crystal CaFe 2 O 4 sample is studied by using synchrotron x-ray diffraction, a magnetometer and the electron spin resonance (ESR) technique. A broad feature of the susceptibility curve around room temperature is observed, indicating the development of 1D spin interactions above the on-set of antiferromagnetic transition. The angular dependency of ESR reveals an in-plane two-fold symmetry, suggesting a strong correlation between the room temperature spin structure and magnetocrystalline anisotropy. This finding opens an opportunity for the device utilizing the anisotropy field of CaFe 2 O 4 . (paper)

  20. Magnetocrystalline two-fold symmetry in CaFe2O4 single crystal

    Chhaganlal Gandhi, Ashish; Das, Rajasree; Chou, Fang-Cheng; Lin, Jauyn Grace

    2017-05-01

    Understanding of magnetocrystalline anisotropy in CaFe2O4 is a matter of importance for its future applications. A high quality single crystal CaFe2O4 sample is studied by using synchrotron x-ray diffraction, a magnetometer and the electron spin resonance (ESR) technique. A broad feature of the susceptibility curve around room temperature is observed, indicating the development of 1D spin interactions above the on-set of antiferromagnetic transition. The angular dependency of ESR reveals an in-plane two-fold symmetry, suggesting a strong correlation between the room temperature spin structure and magnetocrystalline anisotropy. This finding opens an opportunity for the device utilizing the anisotropy field of CaFe2O4.

  1. Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

    Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

    2002-01-01

    The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained using...... the Kissinger method. Results indicate that this glass crystallizes by a three-stage reaction: (1) phase separation and primary crystallization of glass, (2) formation of intermetallic compounds, and (3) decomposition of intermetallic compounds and crystallization of residual amorphous phase. The pressure...

  2. Natural gels: crystal-chemistry of short range ordered components in Al, Fe, and Si systems

    Ildefonse, Ph.; Calas, G.

    1997-01-01

    In this review, the most important inorganic natural gels are presented: opal, aluminosilicate (allophanes) and hydrous iron oxides and silicates. It is demonstrated that natural gels are ordered at the atomic scale. In allophanes, Al is distributed between octahedral and tetrahedral sites. The amount of Al increases as Al/Si ratio decreases. Si-rich allophane have a local structure around Al and Si very different of that is known in kaolinite or halloysite. Transformation of Si-rich allophanes to crystallized minerals implies dissolution-recrystallization processes. On the contrary, in iron silicate with Fe/Si = 0.72, Si and Fe environments are close to those found in nontronite. The gel transformation to Fe-smectite may occur by long range ordering during ageing. In ferric silicate gels, the similarity of local structure around Fe in poorly ordered precursors and what is known in crystallized minerals suggests a solid transformation during ageing. This difference between iron and aluminium is mainly due to the ability of Al to enter both tetrahedral and octahedral sites, while the affinity of iron for octahedral sites is higher at low temperature

  3. The crystal structure of FdxA, a 7Fe ferredoxin from Mycobacterium smegmatis

    Ricagno, Stefano; De Rosa, Matteo; Aliverti, Alessandro; Zanetti, Giuliana; Bolognesi, Martino

    2007-01-01

    Mycobacterium smegmatis ferredoxin FdxA, which has an orthologue ferredoxin in Mycobacterium tuberculosis, FdxC, contains both one [3Fe-4S] and one [4Fe-4S] cluster. M. smegmatis FdxA has been shown to be a preferred ferredoxin substrate of FprA [F. Fischer, D. Raimondi, A. Aliverti, G. Zanetti, Mycobacterium tuberculosis FprA, a novel bacterial NADPH-ferredoxin reductase, Eur. J. Biochem. 269 (2002) 3005-3013], an adrenodoxin reductase-like flavoprotein of M. tuberculosis, suggesting that M. tuberculosis FdxC could be the physiological partner of the enzyme in providing reducing power to the cytochromes P450. We report here the crystal structure of FdxA at 1.6 A resolution (R factor 16.5%, R free 20.2%). Besides providing an insight on protein architecture for this 106-residue ferredoxin, our crystallographic investigation highlights lability of the [4Fe-4S] center, which is shown to loose a Fe atom during crystal growth. Due to their high similarity (87% sequence identity), the structure here reported can be considered a valuable model for M. tuberculosis FdxC, thus representing a step forward in the study of the complex mycobacterial redox pathways

  4. Temperature driven structural-memory-effects in carbon nanotubes filled with Fe3C nano crystals

    Boi, Filippo S.; Zhang, Xiaotian; Corrias, Anna

    2018-02-01

    We report the observation of novel temperature-driven structural-memory-effects in carbon nanotubes (CNTs) filled with Fe3C nano-crystals. These structural-transitions were measured by means of temperature (T) dependent x-ray diffraction (XRD) in the T-range from 298 K to 12 K. A clear reversible 2θ-shift in the 002-peak of the graphitic-CNTs-walls is found with the decrease of the temperature. As determined by Rietveld refinement, such 2θ-shift translates in a not previously reported decrease in the value of the CNT graphitic c-axis with the decrease of the temperature (from 298 K to 12 K). Also, a clear reversible 2θ-shift in the 031 and 131 diffraction-peaks of Fe3C is observed within the same T-range. Rietveld refinements confirm the existence of such memory-effect and also reveal a gradual decrease of the 010-axis of Fe3C with the decrease of the temperature. These observations imply that the observed structural-memory-effect is a characteristic of CNTs when Fe3C is the encapsulated ferromagnet. The generality of such memory-effects was further confirmed by additional measurements performed on other types of CNTs characterized by continuous Fe3C-filling. XRD measurements in the T-range from 298 K to 673 K revealed also an unusual reversible decrease of the Fe3C-peak intensities with the increase of the temperature. These observations can have important implications on the magnetic data recording applications of these nanostructures by helping in better understanding the unusual temperature-dependent magnetic instabilities of iron-based nano-crystals which have been recently reported in literature.

  5. Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

    De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

    2005-01-01

    We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

  6. Isochronal and isothermal crystallization kinetics of amorphous Fe-based alloys

    Zhang, J.T.; Wang, W.M.; Ma, H.J.; Li, G.H.; Li, R.; Zhang, Z.H.

    2010-01-01

    Using the differential scanning calorimetry (DSC), the isochronal and isothermal crystallization kinetics of amorphous Fe 61 Co 9-x Zr 8 Mo 5 W x B 17 (x = 0 and 2) ribbons was investigated by the Kissinger equation and by the Kolmogorov-Johnson-Mehl-Avrami and Ranganathan-Heimendahl equations, respectively. The results show that tungsten can improve the activation energy E 1 K for the first crystallization in the isochronal annealing process and activation energy E n for the nucleation in the isothermal annealing process, which can be ascribed to the dissolution of tungsten in the amorphous phase. Meanwhile, tungsten can decrease the activation energy E 2 K for the second crystallization in the isochronal annealing process and growth activation energy E g in the isothermal annealing process, which is possibly associated with the formation of W-rich compound after the early nucleation process.

  7. Characterising the reactivity of metallic iron in Fe 0 /As-rock/H 2 O ...

    The intrinsic reactivity of 4 metallic iron materials (Fe0) was investigated in batch and column experiments. The Fe0 reactivity was characterised by the extent of aqueous fixation of in-situ leached arsenic (As). Air-homogenised batch experiments were conducted for 1 month with 10.0 g/. of an As-bearing rock (ore material) ...

  8. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  9. First-order phase transitions in CaFe2As2 single crystal: a local probe study

    Alzamora, M; Munevar, J; Baggio-Saitovitch, E; Bud'ko, S L; Ni Ni; Canfield, P C; Sanchez, D R

    2011-01-01

    57 Fe Moessbauer spectroscopy has been used to investigate the structural and magnetic phase transitions of CaFe 2 As 2 (T N = 173 K) single crystals. For this compound we found that V ZZ is positive and parallel to the c-axis of the tetragonal structure. For CaFe 2 As 2 a magnetic hyperfine field B hf was observed at the 57 Fe nucleus below T N ∼ 173 K. Analysis of the temperature dependence of B hf data using the Bean-Rodbell model shows that the Fe spins undergo a first-order magnetic transition at ∼ 173 K. A collinear antiferromagnetic structure is established below this temperature with the Fe spin lying in the (a, b) plane. Below T N the paramagnetic fraction of Fe decreases down to 150 K and for lower temperatures all the Fe spins are magnetically ordered.

  10. Morphological Features of Diamond Crystals Dissolved in Fe0.7S0.3 Melt at 4 GPa and 1400°C

    Sonin, V. M.; Zhimulev, E. I.; Pomazanskiy, B. S.; Zemnuhov, A. L.; Chepurov, A. A.; Afanasiev, V. P.; Chepurov, A. I.

    2018-01-01

    An experimental study of the dissolution of natural and synthetic diamonds in a sulfur-bearing iron melt (Fe0.7S0.3) with high P-T parameters (4 GPa, 1400°C) was performed. The results demonstrated that under these conditions, octahedral crystals with flat faces and rounded tetrahexahedral diamond crystals are transformed into rounded octahedroids, which have morphological characteristics similar to those of natural diamonds from kimberlite. It was suggested that, taking into account the complex history of individual natural diamond crystals, including the dissolution stages, sulfur-bearing metal melts up to sulfide melts were not only diamond-forming media during the early evolution of the Earth, but also natural solvents of diamond in the mantle environment before the formation of kimberlitic melts.

  11. Mössbauer spectroscopy study of 60P2O5-40Fe2O3 glass crystallization

    Stoch Paweł

    2015-03-01

    Full Text Available 60P2O5-40Fe2O3 glass was synthesized and 57Fe Mössbauer spectroscopy study was presented. The main goal of the research was to investigate structural changes of local environment of iron ions during gradual crystallization of the glass. It was observed that some changes were evidenced at temperature of heat treatment higher than 400°C, above which content of tetrahedrally coordinated Fe3+ was increased in cost of octahedral sites. This led to formation of areas of nucleation of α-FePO4. Crystallization of α-Fe3(P2O72 and Fe2P2O7 was also observed.

  12. Crystal structure and magnetic properties of a nitrogenated melt-spun Sm[sub 2]Fe[sub 17] compound

    Yang, Choong-Jin [Electromagnetic Materials Laboratory, Research Institute of Industrial Science and Technology, P.O. Box 135, 790-330 Pohang (Korea, Republic of); Lee, Woo-Young [Electromagnetic Materials Laboratory, Research Institute of Industrial Science and Technology, P.O. Box 135, 790-330 Pohang (Korea, Republic of); Choi, Seung-Duck [Electromagnetic Materials Laboratory, Research Institute of Industrial Science and Technology, P.O. Box 135, 790-330 Pohang (Korea, Republic of)

    1994-05-15

    Sm[sub 2]Fe[sub 17]N[sub 2.9] compound powders were prepared from parent alloys of Sm[sub 2]Fe[sub 17] which were made by both arc melting and rapid solidification processes. The cast Sm[sub 2]Fe[sub 17] contained mixed phases of SmFe[sub 3] and [alpha]-Fe, and correspondingly formed less Sm[sub 2]Fe[sub 17]N[sub x] with a rather large amount of residual [alpha]-Fe after nitrogenation. The melt-spun Sm[sub 2]Fe[sub 17] compound, however, was single phase and exhibited a negligible amount of residual [alpha]+Fe after nitrogenation. The residual amount of free iron was found to increase as a function of milling time and to impede the development of promising permanent magnetic properties. The melt-spun Sm[sub 2]Fe[sub 17]N[sub x] compound powders exhibited a coercivity value [sub i]H[sub c] of 5 kOe, which is double that of the as-cast Sm[sub 2]Fe[sub 17]N[sub x] powders and a high remanence B[sub r]=60 e.m.u. g[sup -1]. The average magnetic moment of Fe atoms in the crystal is estimated to be 2.29 [mu][sub B] and the Fe atom in the 6c site exhibits the highest magnetic moment of 2.65 [mu][sub B]. The expansion in the c axial direction of the nitrogenated crystal was found to be mainly due to extension of Sm(6c)-Fe(c) and Fe(18f)-Fe(18f) distances. ((orig.))

  13. Giant volume magnetostriction in the Y{sub 2}Fe{sub 17} single crystal at room temperature

    Nikitin, S. A., E-mail: nikitin@phys.msu.ru; Pankratov, N. Yu.; Smarzhevskaya, A. I.; Politova, G. A. [Physics Faculty, Lomonosov Moscow State University, Moscow 119992 (Russian Federation); Pastushenkov, Yu. G., E-mail: yupast@mail.ru; Skokov, K. P. [Physics Faculty, Tver State University, 170100 Tver (Russian Federation); Moral, A. del [Laboratorio de Magnetismo de Slidos, Departamento de Fisica de Materia Condensada and Instituto de Ciencia de Materiales de Aragn, Facultad de Ciencias, Universidad de Zaragoza-C.S.I.C, E-50009 Zaragoza (Spain)

    2015-05-21

    An investigation of the Y{sub 2}Fe{sub 17} compound belonging to the class of intermetallic alloys of rare-earth and 3d-transition metals is presented. The magnetization, magnetostriction, and thermal expansion of the Y{sub 2}Fe{sub 17} single crystal were studied. The forced magnetostriction and magnetostriction constants were investigated in the temperature range of the magnetic ordering close to the room temperature. The giant field induced volume magnetostriction was discovered in the room temperature region in the magnetic field up to 1.2 T. The contributions of both anisotropic single-ion and isotropic pair exchange interactions to the volume magnetostriction and magnetostriction constants were determined. The experimental results were interpreted within the framework of the Standard Theory of Magnetostriction and the Landau thermodynamic theory. It was found out that the giant values of the volume magnetostriction were caused by the strong dependence of the 3d-electron Coulomb charge repulsion on the deformations and width of the 3d-electron energy band.

  14. Surface Modification of α-Fe Metal Particles by Chemical Surface Coating

    2003-01-01

    The structure of α-Fe metal magnetic recording particles coated with silane coupling agents have been studied by TEM, FT-IR, EXAFS, Mossbauer. The results show that a close, uniform, firm and ultra thin layer, which is beneficial to the magnetic and chemical stability, has been formed by the cross-linked chemical bond Si-O-Si. And the organic molecule has chemically bonded to the particle surface, which has greatly affected the surface Fe atom electronic structure. Furthermore, the covalent bond between metal particle surface and organic molecule has obvious effect on the near edge structure of the surface Fe atoms.

  15. Virtual synthesis of crystals using ab initio MD: Case study on LiFePO4

    Mishra, S. B.; Nanda, B. R. K.

    2017-05-01

    Molecular dynamics simulation technique is fairly successful in studying the structural aspects and dynamics of fluids. Here we study the ability of ab initio molecular dynamics (ab initio MD) to carry out virtual experiments to synthesize new crystalline materials and to predict their structures. For this purpose the olivine phosphate LiFePO4 (LFPO) is used as an example. As transition metal oxides in general are stabilized with layered geometry, we carried out ab initio MD simulations over a hypothetical layered configuration consisting of alternate LiPO2 and FeO2 layers. With intermittent steps of electron minimization, the resulted equilibrium lattice consist of PO4 tetrahedra and distorted Fe-O complexes similar to the one observed in the experimental lattice.

  16. Crystallization study of amorphous system Fe[sub 84-x]W[sub x]B[sub 16] (x = 3; 5)

    Novakova, A.A.; Sidorova, G.V.; Kiseleva, T.Yu.; Szasz, A. (Dept. of Physics, State Univ., Moscow (Russia) Inst. of Metallurgy, Academy of Science, Moscow (Russia) Eoetvoes Univ., Budapest (Hungary))

    1992-10-01

    A complex study of the crystallization process of the amorphous system was carried out by Moessbauer spectroscopy, X-ray diffraction and DTA. Alloy samples crystallized at 600deg C contain the following phases: [alpha]-Fe, Fe[sub 3]B and solid solution (Fe, W)[sub 3]B. (orig.).

  17. Influence of Heavy Fermion Ytterbium Substitution on the Electronic and Crystal Properties of the Frustrated Magnet CuFeO2 Oxide

    Ozkendir, Osman Murat

    2017-11-01

    The influence of heavy fermion Ytterbium substitution was investigated on the crystal, electronic, and magnetic properties of CuFeO2 with the general formula Yb x Cu1- x FeO2. The results of the crystal structure study revealed polycrystalline formations in the sample. The electronic and magnetic properties of the samples were studied using X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) techniques. Both XAS and XMCD revealed that the substituted Yb atoms govern the entire phenomena with their narrow 4 f levels by forming broader molecular bonds with the 3 d levels of the transition metals. Owing to the prominent changes caused by the activity of the 4 f electrons in the crystal structures, Yb atoms were determined to be the main "role player" in the phase transitions. XMCD measurements were performed at room temperature 300 K (27 °C) to determine the magnetic properties of the samples and, except for CuFeO2 ( x = 0.0), the samples were observed to be ordered magnetically (mainly ferrimagnetic) in the bulk.

  18. Effects of surface crystallization and oxidation in nanocrystalline FeNbCuSiB(P) ribbons

    Butvinová, B., E-mail: beata.butvinova@savba.sk [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Butvin, P. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Brzózka, K. [Department of Physics, University of Technology and Humanities in Radom, Krasickiego 54, 26-600 Radom (Poland); Kuzminski, M. [Institute of Physics PAS, Al. Lotnikow 36/42, 02-668 Warsaw (Poland); Maťko, I.; Švec Sr, P. [Institute of Physics SAS, Dúbravská cesta 9, 845 11 Bratislava (Slovakia); Chromčíková, M. [Institute of Inorg. Chem. SAS, Centrum VILA, Študentská 2, 911 50 Trenčín (Slovakia)

    2017-02-15

    Si-poor Fe{sub 74}Nb{sub 3}Cu{sub 1}Si{sub 8}B{sub 14−x}P{sub x}, (x=0, 3) nanocrystalline ribbon-form alloys often form surfaces, which exert in-plane force on underlying ribbon interior when nanocrystallized in even modest presence of oxygen. Mostly unwanted hard-ribbon-axis magnetic anisotropy is standard result. Essential sources of the surface-caused stress have been sought and influence of P instead of B substitution on this effect was studied too. Preferred surface crystallization (PSC) was found to be the major reason. However P substitution suppresses PSC and promotes Fe-oxide formation, which eases the stress, softens the surfaces and provides different annealing evolution of surface properties. - Highlights: • Ar anneal of low-Si FeNbCuBSi ribbons produce surfaces that stress ribbon interior. • The stress comes mainly from preferred crystallization of surfaces. • Partial substitution of B by P changes annealing evolution of surface properties. • Without P, more crystalline surfaces significantly reduce ribbon's elasticity. • P suppresses surface crystallinity, promotes oxides and reduces mutual stress.

  19. Critical current density, vortex dynamics, and phase diagram of single-crystal FeSe

    Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi; Kobayashi, Ryo; Watashige, Tatsuya; Kasahara, Shigeru; Matsuda, Yuji; Shibauchi, Takasada

    2015-10-01

    We present a comprehensive study of the vortex pinning and dynamics in a high-quality FeSe single crystal which is free from doping-introduced inhomogeneities and charged quasiparticle scattering because of its innate superconductivity. The critical current density Jc is found to be almost isotropic and reaches a value of ˜3 ×104 A /cm2 at 2 K (self-field) for both H ∥c and a b . The normalized magnetic relaxation rate S (=∣d ln M /d ln t ∣ ) shows a temperature-insensitive plateau behavior in the intermediate temperature range with a relatively high creep rate (S ˜ 0.02 under zero field), which is interpreted in the framework of the collective creep theory. A crossover from the elastic to plastic creep is observed, while the fishtail effect is absent for both H ∥c and a b . Based on this observation, the origin of the fishtail effect is also discussed. Combining the results of Jc and S , the vortex motion in the FeSe single crystal is found to be dominated by sparse, strong pointlike pinning from nanometer-sized defects or imperfections. The weak collective pinning is also observed and proved in the form of large bundles. Besides, the vortex phase diagram of FeSe is also constructed and discussed.

  20. Graphite crystals grown within electromagnetically levitated metallic droplets

    Amini, Shaahin; Kalaantari, Haamun; Mojgani, Sasan; Abbaschian, Reza

    2012-01-01

    Various graphite morphologies were observed to grow within the electromagnetically levitated nickel–carbon melts, including primary flakes and spheres, curved surface graphite and eutectic flakes, as well as engulfed and entrapped particles. As the supersaturated metallic solutions were cooled within the electromagnetic (EM) levitation coil, the primary graphite flakes and spheres formed and accumulated near the periphery of the droplet due to EM circulation. The primary graphite islands, moreover, nucleated and grew on the droplet surface which eventually formed a macroscopic curved graphite crystal covering the entire liquid. Upon further cooling, the liquid surrounding the primary graphite went under a coupled eutectic reaction while the liquid in the center formed a divorced eutectic due to EM mixing. This brought about the formation of graphite fine flakes and agglomerated particles close to the surface and in the center of the droplet, respectively. The graphite morphologies, growth mechanisms, defects, irregularities and growth instabilities were interpreted with detailed optical and scanning electron microscopies.

  1. Large Scale DD Simulation Results for Crystal Plasticity Parameters in Fe-Cr And Fe-Ni Systems

    Zbib, Hussein M.; Li, Dongsheng; Sun, Xin; Khaleel, Mohammad A.

    2012-04-30

    The development of viable nuclear energy source depends on ensuring structural materials integrity. Structural materials in nuclear reactors will operate in harsh radiation conditions coupled with high level hydrogen and helium production, as well as formation of high density of point defects and defect clusters, and thus will experience severe degradation of mechanical properties. Therefore, the main objective of this work is to develop a capability that predicts aging behavior and in-service lifetime of nuclear reactor components and, thus provide an instrumental tool for tailoring materials design and development for application in future nuclear reactor technologies. Towards this end goal, the long term effort is to develop a physically based multiscale modeling hierarchy, validated and verified, to address outstanding questions regarding the effects of irradiation on materials microstructure and mechanical properties during extended service in the fission and fusion environments. The focus of the current investigation is on modern steels for use in nuclear reactors including high strength ferritic-martensitic steels (Fe-Cr-Ni alloys). The effort is to develop a predicative capability for the influence of irradiation on mechanical behavior. Irradiation hardening is related to structural information crossing different length scales, such as composition, dislocation, and crystal orientation distribution. To predict effective hardening, the influence factors along different length scales should be considered. Therefore, a hierarchical upscaling methodology is implemented in this work in which relevant information is passed between models at three scales, namely, from molecular dynamics to dislocation dynamics to dislocation-based crystal plasticity. The molecular dynamics (MD) was used to predict the dislocation mobility in body centered cubic (bcc) Fe and its Ni and Cr alloys. The results are then passed on to dislocation dynamics to predict the critical resolved

  2. X-ray fluorescence analysis of Fe, Mn, Cr and V in natural silicate crystals

    Dias, O.L.; Albuquerque, A.R.P.L.; Isotani, S.

    1983-04-01

    Concentrations of Fe, Mn, Cr and V were determined in samples of beryl, topaz, tourmaline and spodumene by measuring the first order K sub(α) fluorescence lines. The intensity of these lines were calibrated by using beryl as the standard matrix. The matrices were prepared in the form of pressed pellets with 4:1 mixture of beryl and boric acid, where transition metal oxides were added. (Author) [pt

  3. X-ray fluorescence analysis of Fe, Mn, Cr and V in natural silicate crystals

    Dias, O.L.; Albuquerque, A.R.P.L.; Isotani, S.

    1983-01-01

    Concentrations of Fe, Mn, Cr and V were determined in samples of beryl, topaze, tourmaline and spodumene by measuring the first order Kα fluorescence lines. The intensity of these lines were calibrated by using beryl as the standard matrix. The matrices were prepared in the form of pressed pellets with 4:1 mixture of beryl and boric acid, where transition metal oxides were added. (Author) [pt

  4. Crystal structure and thermal expansion of Mn(1-x)Fe(x)Ge.

    Dyadkin, Vadim; Grigoriev, Sergey; Ovsyannikov, Sergey V; Bykova, Elena; Dubrovinsky, Leonid; Tsvyashchenko, Anatoly; Fomicheva, L N; Chernyshov, Dmitry

    2014-08-01

    A series of temperature-dependent single-crystal and powder diffraction experiments has been carried out using synchrotron radiation in order to characterize the monogermanides of Mn, Fe and their solid solutions. The MnGe single crystal is found to be enantiopure and we report the absolute structure determination. The thermal expansion, parametrized with the Debye model, is discussed from the temperature-dependent powder diffraction measurements for Mn(1-x)Fe(x)Ge (x = 0, 0.1, 0.2, 0.25, 0.3, 0.4, 0.5, 0.6, 0.7, 0.75, 0.8, 0.9). Whereas the unit-cell dimension and the Debye temperature follow a linear trend as a function of composition, the thermal expansion coefficient deviates from linear dependence with increasing Mn content. No structural phase transformations have been observed for any composition in the temperature range 80-500 K for both single-crystal and powder diffraction, indicating that the phase transition previously observed with neutron powder diffraction most probably has a magnetic origin.

  5. Photorefractive features of non-stoichiometry codoped Hf:Fe:LiNbO3 single crystals

    Liu, Bo; Li, Chunliang; Bi, Jiancong; Sun, Liang; Xu, Yuheng

    2008-01-01

    Hf(2mol%):Fe(0.05wt%):LiNbO 3 crystals with various [Li]/[Nb] ratios of 0.94, 1.05, 1.2 and 1.38 have been grown. The photorefractive resistant ability increases with the accretion of [Li]/[Nb] ratio. When the ratio of [Li]/[Nb] is 1.20 or 1.38, the OH - absorption band shifts to about 3477cm -1 . The mechanisms of the photorefractive resistant ability increase and the absorption band shift have been discussed. The exponential gain coefficient (Γ) of the crystals was measured with two-beam coupling method and the effective charge carrier concentration (N eff ) was calculated. The results show that Γ and N eff increase with the accretion of [Li]/[Nb] ratio. The temperature effect of codoped Hf:Fe:LiNbO 3 crystals was also studied, it was found that the exponential gain coefficient increase dramatically at about 55 C, 70 C and 110 C, this is due to the inner electric field which is resulted from structure phase change. (copyright 2007 WILEY -VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Synthesis and crystal structure of the quaternary compound AgFe{sub 2}GaTe{sub 4}

    Delgado, Gerzon E., E-mail: gerzon@ula.ve [Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of); Quintero, Eugenio; Tovar, Rafael; Grima-Gallardo, Pedro; Quintero, Miguel [Centro de Estudio de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101 (Venezuela, Bolivarian Republic of)

    2014-11-15

    Highlights: • New quaternary compound. • Synthesis from solid state reaction. • Crystal structure. • Rietveld refinement. - Abstract: The crystal structure of the quaternary compound AgFe{sub 2}GaTe{sub 4}, belonging to the system I–II{sub 2}–III–VI{sub 4}, was characterized by Rietveld refinement using X-ray powder diffraction data. The powder pattern was composed by 84.5% of the principal phase AgFe{sub 2}GaTe{sub 4} and 15.5% of the secondary phase FeTe. This material crystallizes with stannite structure in the tetragonal space group I-42m (N° 121), Z = 2, unit cell parameters a = 6.3409(2) Å, c = 12.0233(4) Å, V = 483.42(3) Å{sup 3}, and is isostructural with CuFe{sub 2}InSe{sub 4}.

  7. Joule heating of Fe-B metallic glasses

    Miglierini, M.; Sitek, J.; Lipka, J.

    1993-01-01

    Amorphous Fe 80 B 20 and Fe 83 B 17 ribbons were heated in air and in vacuum, respectively, by a dc electric current passing through the specimen. During the Joule heating, 57 Fe transmission Moessbauer spectra were recorded. Ribbons of the same geometrical dimensions, cut from a natural iron foil, were treated in the same way as a reference. The influence of the current-induced magnetic field in addition to the Joule heating is supposed to cause fluctuations in a short-range order observed. Changes in the hyperfine magnetic fields are compared with those obtained by a conventional heating in a vacuum furnace. (orig.)

  8. Synthesis and characterization of magnetic opal/Fe3O4 colloidal crystal

    Carmona-Carmona, A. J.; Palomino-Ovando, M. A.; Hernández-Cristobal, Orlando; Sánchez-Mora, E.; Toledo-Solano, M.

    2017-03-01

    We report an experimental study of colloidal crystals based on SiO2 artificial opals, infiltrated with 1.34(M1), 2.03(M2) and 24.4(M3) wt% Fe3O4 nanoparticles, using the co-assembly method. Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy and Vibration sample magnetometer (VSM) were used to study the structural, magnetic and optical properties of the samples. At 300 K all the samples exhibit superparamagnetic behavior due to the magnetic coupling of Fe3O4 nanoparticles infiltrated into opal. However, for higher concentration of nanoparticles this strong coupling distorts the opal network. The UV-vis diffuse reflectance spectroscopy and Kubelka-Munk theory were applied to determine that the energy band gap of the opal-magnetite composites can be adjusted by varying the concentration of Fe3O4 nanoparticles. This values are between the energy band gap of SiO2 and Fe3O4.

  9. Composition dependence of crystallization temperature and magnetic property of NdFeB thin films

    Khoa, T.V. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Ha, N.D. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Hong, S.M. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Jin, H.M. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, G.W. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Hien, T.D. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Tai, L.T. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Duong, N.P. [International Training Institute for Materials Science (ITIMS), Hanoi University of Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Lee, K.E. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, C.G. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of); Kim, C.O. [Research Center for Advanced Magnetic Materials (ReCAMM), Chungnam National University, Daejon, 305-764 (Korea, Republic of)]. E-mail: magkim@cnu.ac.kr

    2006-09-15

    Si(100)/Mo(30nm)/Nd{sub x}Fe{sub 92-x}B{sub 8}(800nm)/Mo(30nm) (x=14, 20, 30) films are prepared by RF magnetron sputtering at room temperature. As-deposited films are amorphous materials. The crystallization temperature of the Nd{sub 2}Fe{sub 14}B phase decreases from 575deg. C to 500deg. C with increase of x from 14 to 20-30. The optimum annealing temperature with 30min annealing time is 650 deg. C, 625 deg. C and 600 deg. C for x=14, 20 and 30, respectively, and the x=20 film has the largest energy product of 100118MG.

  10. An unsymmetrical porphyrin and its metal complexes: synthesis, spectroscopy, thermal analysis and liquid crystal properties

    CHANGFU ZHUANG

    2009-09-01

    Full Text Available The synthesis and characterization of a new unsymmetrical porphyrin liquid crystal, 5-(4-stearoyloxyphenylphenyl-10,15,20-triphenylporphyrin (SPTPPH2 and its transition metal complexes (SPTPPM, M(II = Zn, Fe, Co, Ni, Cu or Mn are reported. Their structure and properties were studied by elemental analysis, and UV–Vis, IR, mass and 1H-HMR spectroscopy. Their luminescent properties were studied by excitation and emission spectroscopy. The quantum yields of the S1 ® S0 fluorescence were measured at room temperature. According to thermal studies, the complexes have a higher thermal stability (no decomposition until 200 °C. Differential scanning calorimetry (DSC data and an optical textural photograph, obtained using a polarizing microscope (POM, indicate that the porphyrin ligand had liquid crystalline character and that it exhibited more than one mesophase and a low-lying phase transition temperature, with transition temperatures of 19.3 and 79.4 °C; the temperature range of the liquid crystal (LC phase of the ligand was 70.1 °C.

  11. Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates

    Wang, Chaonan; Feng, Pingjing; Li, Jintang, E-mail: leejt@xmu.edu.cn; Luo, Xuetao

    2017-05-15

    Two metal carboxyphosphonates, [Co{sub 2}(OOCC{sub 5}H{sub 3}NPO{sub 3}){sub 2·}(H{sub 2}O){sub 3}] (Compound1) and Zn{sub 3}[OOCC{sub 6}H{sub 3}CH(OH)PO{sub 3}]{sub 2·}2H{sub 2}O (Compound2) were successfully synthesized under the hydrothermal reactions. In compound 1, two (Co1-NO{sub 5}) octahedra link the (CPO{sub 3}) by sharing the corner, which link the two (Co2-O{sub 6}) octahedra. From a-axis the six clusters form the layer. Each layer is linked through hydrogen bond. In compound 2, the (Zn-O{sub 4}) tetrahedron and (CPO{sub 3}) tetrahedron are corner-shared, which arrange in line. From a-axis, each line forms the columnar. The thermal and luminescence properties of these compounds were investigated. - Graphical abstract: The synthesis conditions of the two compounds and the crystal morphology. Compound 1 shows the layer and the compound 2 shows the pillared-layer. - Highlights: • Two new carboxyphosphonate ligands have been prepared. • Using the two ligands, two metal carboxyphosphonates have been synthesized. • The two MOFs may be candidates for fluorescent materials.

  12. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  13. Synthesis, crystallization behavior and surface modification of Ni-Cr-Si-Fe amorphous alloy

    Iqbal, M.; Akhter, J.I.; Rajput, M.U.; Mahmood, K.; Hussain, Z.; Hussain, S.; Rafiq, M.

    2011-01-01

    A quaternary Ni/sub 86/Cr/sub 7/Si/sub 4/Fe/sub 3/ amorphous alloy was synthesized by melt spinning technique. Surface modification was done by electron beam melting (EBM), neutron irradiation and gamma-rays. Microstructure of as cast, annealed and modified samples was examined by scanning electron microscope. Crystallization behavior was studied by annealing the samples in vacuum at different temperatures in the range 773-1073 K. Techniques of X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used for characterization. Differential scanning calorimetry (DSC) was conducted at various heating rates in the range 10-40 K/min. Thermal parameters like glass transition temperature T/sub g/, crystallization temperature T/sub x/, supercooled liquid region delta T/sub x/ and reduced glass transition temperature T/sub rg/ were measured. The Ni/sub 86/Cr/sub 7/Si/sub 4/Fe/sub 3/ alloy exhibits wide supercooled liquid region of 60 K indicating good thermal stability. The activation energy was calculated to be 160 +- 4 kJ/mol using Kissinger and Ozawa equations respectively which indicates high resistance against crystallization. The XRD results of the samples annealed at 773 K, 923 K, 973 K and 1073 K/20 min show nucleation of Ni/sub 2/Cr/sub 3/ and NiCrFe crystalline phases. Vickers microhardness of the as cast ribbon was measured to be 680. About 30-50 % increase in hardness was achieved by applying EBM technique. (author)

  14. Nano-size metallic oxide particle synthesis in Fe-Cr alloys by ion implantation

    Zheng, C.; Gentils, A.; Ribis, J.; Borodin, V. A.; Delauche, L.; Arnal, B.

    2017-10-01

    Oxide Dispersion Strengthened (ODS) steels reinforced with metal oxide nanoparticles are advanced structural materials for nuclear and thermonuclear reactors. The understanding of the mechanisms involved in the precipitation of nano-oxides can help in improving mechanical properties of ODS steels, with a strong impact for their commercialization. A perfect tool to study these mechanisms is ion implantation, where various precipitate synthesis parameters are under control. In the framework of this approach, high-purity Fe-10Cr alloy samples were consecutively implanted with Al and O ions at room temperature and demonstrated a number of unexpected features. For example, oxide particles of a few nm in diameter could be identified in the samples already after ion implantation at room temperature. This is very unusual for ion beam synthesis, which commonly requires post-implantation high-temperature annealing to launch precipitation. The observed particles were composed of aluminium and oxygen, but additionally contained one of the matrix elements (chromium). The crystal structure of aluminium oxide compound corresponds to non-equilibrium cubic γ-Al2O3 phase rather than to more common corundum. The obtained experimental results together with the existing literature data give insight into the physical mechanisms involved in the precipitation of nano-oxides in ODS alloys.

  15. Polarization and resistivity measurements of post-crystallization changes in amorphous Fe-B-Si alloys

    Chattoraj, I.; Bhattamishra, A.K.; Mitra, A.

    1993-01-01

    The effects of grain growth and compositional changes on the electrochemical behavior and the resistivity of amorphous iron-boron-silicon (Fe 77.5 B 15 Si 7.5 ) alloys after crystallization were studied. Deterioration of the protective passive film was observed, along with increased annealing. Potentiodynamic polarization provided excellent information about microstructural and chemical changes. It was concluded that electrochemical measurements could be used in conjunction with resistivity measurements in direct studies of grain growth and chemical changes occurring in different phases of the devitrified alloy

  16. Single crystal growth and electrical and magnetic measurements on CeFe4Sb12

    Mori, I.; Sugawara, H.; Magishi, K.; Saito, T.; Koyama, K.; Kikuchi, D.; Tanaka, K.; Sato, H.

    2007-01-01

    We have succeeded in growing single crystals of CeFe 4 Sb 12 by a Sb-self-flux method and measured the electrical resistivity and magnetization. The residual resistivity is about two times smaller than that of polycrystalline ones, suggesting that the sample quality is highly improved. The magnetization measurements at low temperature revealed that the sample contains almost no magnetic impurities which are always observed in polycrystalline samples. The weak temperature dependence and a broad maximum around 115K in magnetic susceptibility, which is a typical feature of valence fluctuation compounds, have been observed

  17. Preparation of high purity metallic protactinium. Crystal structure and dissolution enthalpy of the metal

    Bohet, J.

    1977-01-01

    Some 300 mg of Pa have been produced in a high purity metallic state. Protactinium monocarbide has been obtained by the carboreduction of Pa 2 O 5 . Protactinium iodide, produced by the direct reaction of iodine on the carbide, has been sublimated at 420 0 C and thermally dissociated at 1200 0 C on a W wire. In these conditions Pa metal has been deposited with a yield greater than 85% and presents a bct structure stable at room temperature (a=3.921+-0.001A and c=3.235+-0.001A). The fcc phase (Fm3m type) (a=5.018+-0.001A) has been obtained by quenching metallic samples (bct) heated in argon at 1500 0 C. The chemical analysis and the transformation of the fcc into bct phase by controlled heat treatments show the presence of this high temperature phase in the metal. Protactinium mononitride (5.58% N) produced by direct reaction of N on Pa at 1100 0 C presents the same fcc crystal structure but the lattice parameter is higher (a=5.047+-0.001A). The dissolution heat of metallic Pa (bct) has been determined in the aqueous solution HCl 12M - HF 0.05M at 298.15+-0.05 K. The standard formation enthalpies of the ionic species Pa(IV) and Pa(V) are respectively equal to -672+-15 kJ.mol -1 and -821+-15 kJ.mol -1

  18. Fe II/Fe III mixed-valence state induced by Li-insertion into the metal-organic-framework Mil53(Fe): A DFT+U study

    Combelles, C.; Ben Yahia, M.; Pedesseau, L.; Doublet, M.-L.

    The iron-based metal-organic-framework MIL53(Fe) has recently been tested as a cathode materials for Li-Ion batteries, leading to promising cycling life and rate capability. Despite a poor capacity of 70 mAh g -1 associated with the exchange of almost 0.5Li/Fe, this result is the first evidence of a reversible lithium insertion never observed in a MOF system. In the present study, the MIL53(Fe) redox mechanism is investigated through first-principles DFT+U calculations. The results show that MIL53(Fe) is a weak antiferromagnetic charge transfer insulator at T = 0 K, with iron ions in the high-spin S = 5/2 state. Its reactivity vs elemental lithium is then investigated as a function of lithium composition and distribution over the most probable Li-sites of the MOF structure. The redox mechanism is fully interpreted as a two-step insertion/conversion mechanism, associated with the stabilization of the Fe 3+/Fe 2+ mixed-valence state prior to the complete decomposition of the inorganic-organic interactions within the porous MOF architecture.

  19. Crystal structure, magnetic and infrared spectroscopy studies of the LiCryFe1-yP2O7 solid solution

    Bih, Hssain; Saadoune, Ismael; Ehrenberg, Helmut; Fuess, Hartmut

    2009-01-01

    The lithium double diphosphates LiCr y Fe 1-y P 2 O 7 have been investigated by X-ray diffraction, SQUID measurements and vibrational spectroscopy. The Rietveld refinements based on the XRD patterns show the existence of a continuous solid solution over the whole composition range (0≤y≤1.0) with a continuous evolution of the monoclinic unit cell parameters (S.G. P2 1 ). The transition metal ions connect the diphosphate anions forming a three-dimensional network with channels filled by Li + cations expected to exhibit high mobility. All compounds order magnetically at low temperatures due the Fe-Fe interactions. The ordering temperature decreases with increasing Cr content. The slope in Curie-Weiss fits to the 1/χ vs T data in the paramagnetic domain clearly shows the existence of Fe 3+ and Cr 3+ in their high spin states, and a ferromagnetic component is clearly detected for y=0, 0.2 and 0.4. IR spectra have been interpreted using factor group analysis. The small shift of the frequencies is due to the influence of the chromium amount. The POP angles were estimated using the Lazarev's relationship. - Graphical abstract: Crystal structure of LiCr y Fe 1-y P 2 O 7 diphosphates, view along the 'a' axis. Red circles denote the lithium atoms. For interpretation of this figure legend, the reader is referred to the web version of this article.

  20. Freeform Fabrication of Magnetophotonic Crystals with Diamond Lattices of Oxide and Metallic Glasses for Terahertz Wave Control by Micro Patterning Stereolithography and Low Temperature Sintering

    Maasa Nakano

    2013-04-01

    Full Text Available Micrometer order magnetophotonic crystals with periodic arranged metallic glass and oxide glass composite materials were fabricated by stereolithographic method to reflect electromagnetic waves in terahertz frequency ranges through Bragg diffraction. In the fabrication process, the photo sensitive acrylic resin paste mixed with micrometer sized metallic glass of Fe72B14.4Si9.6Nb4 and oxide glass of B2O3·Bi2O3 particles was spread on a metal substrate, and cross sectional images of ultra violet ray were exposed. Through the layer by layer stacking, micro lattice structures with a diamond type periodic arrangement were successfully formed. The composite structures could be obtained through the dewaxing and sintering process with the lower temperature under the transition point of metallic glass. Transmission spectra of the terahertz waves through the magnetophotonic crystals were measured by using a terahertz time domain spectroscopy.

  1. Radiation heredity: unusual structural-phase states and metallic crystals properties

    Melikhov, V.D.; Skakov, M.K.

    1998-01-01

    Some experimental results allowing to judge about possibilities of unusual structural phase states formation during use irradiation and high temperature treatment of metallic crystals are considered. During study of pure (99.99 %) and especially pure (99.999 %) aluminium it was established, that after heating of preliminary irradiated samples in reactor, and non-irradiated ones up to temperatures above melting point (660 deg C), but not higher than 820 deg C, and cooling an microstructure and substructure of both irradiated and non-irradiated metals have been essentially distinguished with each other. If first of them had typically polycrystal construction, that second one was monocrystal with good developed initial substructure. Radiation effects have been preserved even in liquid metal if it was not overheated higher critical point, which is determined by phase transition from quasi-liquid state to true liquid one. During study of irradiation and postradiation treatment of structure and properties of intermetallides Fe 3 Al it was revealed, that in initially irradiated regulated alloys the radiation effect is preserving at heating of above 0.85 T melt (that essentially exceed order-disorder transition temperature) (550 deg C) in non-irradiated alloys of prolonged exposure and hardening. At that, irradiated-hardened alloy distinguishing from not hardened one by lattice parameter (on 0.1 %), by configuration of nearest surrounding of iron atoms in elementary cell, by regulating extent of different kind of atoms in lattice knocks. It was revealed, that at fluence (5·10 24 n·m 2 ) an appearance of new phases, distinguishing from matrix by component content. It was shown, that irradiation and post-radiation treatment are methods for creation unusual structural-phase states and attach to metals and alloys new properties

  2. Spectroscopic properties of Fe2+ ions at tetragonal sites-Crystal field effects and microscopic modeling of spin Hamiltonian parameters for Fe2+ (S=2) ions in K2FeF4 and K2ZnF4

    Rudowicz, C.; Piwowarska, D.

    2011-01-01

    Magnetic and spectroscopic properties of the planar antiferromagnet K 2 FeF 4 are determined by the Fe 2+ ions at tetragonal sites. The two-dimensional easy-plane anisotropy exhibited by K 2 FeF 4 is due to the zero field splitting (ZFS) terms arising from the orbital singlet ground state of Fe 2+ ions with the spin S=2. To provide insight into the single-ion magnetic anisotropy of K 2 FeF 4 , the crystal field theory and the microscopic spin Hamiltonian (MSH) approach based on the tensor method is adopted. Survey of available experimental data on the crystal field energy levels and free-ion parameters for Fe 2+ ions in K 2 FeF 4 and related compounds is carried out to provide input for microscopic modeling of the ZFS parameters and the Zeeman electronic ones. The ZFS parameters are expressed in the extended Stevens notation and include contributions up to the fourth-order using as perturbation the spin-orbit and electronic spin-spin couplings within the tetragonal crystal field states of the ground 5 D multiplet. Modeling of the ZFS parameters and the Zeeman electronic ones is carried out. Variation of these parameters is studied taking into account reasonable ranges of the microscopic ones, i.e. the spin-orbit and spin-spin coupling constants, and the energy level splittings, suitable for Fe 2+ ions in K 2 FeF 4 and Fe 2+ :K 2 ZnF 4 . Conversions between the ZFS parameters in the extended Stevens notation and the conventional ones are considered to enable comparison with the data of others. Comparative analysis of the MSH formulas derived earlier and our more complete ones indicates the importance of terms omitted earlier as well as the fourth-order ZFS parameters and the spin-spin coupling related contributions. The results may be useful also for Fe 2+ ions at axial symmetry sites in related systems, i.e. Fe:K 2 MnF 4 , Rb 2 Co 1-x Fe x F 4 , Fe 2+ :Rb 2 CrCl 4 , and Fe 2+ :Rb 2 ZnCl 4 . - Highlights: → Truncated zero field splitting (ZFS) terms for Fe 2+ in K

  3. Joule heating of Fe-B metallic glasses

    Miglierini, M.; Sitek, J.; Lipka, J. (Dept. of Nuclear Physics and Technology, Slovak Technical Univ., Bratislava, Slovak Republic (Czechoslovakia))

    1993-04-01

    Amorphous Fe[sub 80]B[sub 20] and Fe[sub 83]B[sub 17] ribbons were heated in air and in vacuum, respectively, by a dc electric current passing through the specimen. During the Joule heating, [sup 57]Fe transmission Moessbauer spectra were recorded. Ribbons of the same geometrical dimensions, cut from a natural iron foil, were treated in the same way as a reference. The influence of the current-induced magnetic field in addition to the Joule heating is supposed to cause fluctuations in a short-range order observed. Changes in the hyperfine magnetic fields are compared with those obtained by a conventional heating in a vacuum furnace. (orig.).

  4. Controlling the crystallization and magnetic properties of melt-spun Pr2Fe14B/α-Fe nanocomposites by Joule heating

    Jin, Z. Q.; Cui, B. Z.; Liu, J. P.; Ding, Y.; Wang, Z. L.; Thadhani, N. N.

    2004-05-01

    Pr2Fe14B/α-Fe based nanocomposites have been prepared through crystallization of melt-spun amorphous Pr7Tb1Fe85Nb0.5Zr0.5B6 ribbons by means of ac Joule heating while simultaneously monitoring room-temperature electrical resistance R. The R value shows a strong variation with respect to applied current I, and is closely related to the amorphous-to-nanocrystalline phase transformation. The curve of R versus I allows one to control the crystallization behavior during Joule heating and to identify the heat-treatment conditions for optimum magnetic properties. A coercivity of 550 kA/m and a maximum energy product of 128 kJ/m3 have been obtained upon heating the amorphous ribbons at a current of 2.0 A. These properties are around 30% higher than the values of samples prepared by conventionally (furnace) annealed amorphous ribbons.

  5. Crystal structure and optical absorption spectra of Ga0.5Fe0.5InS3 and Ga0.5Fe0.25In1.25S3 crystals

    Gusejnov, G.G.; Musaeva, N.N.; Kyazumov, M.G.; Asadova, I.B.; Aliev, O.M.

    2003-01-01

    Single crystals of Ga 0.5 Fe 0.5 InS 3 are grown by the method of chemical gas-transport reactions and those of Ga 0.5 Fe 0.25 In 1.25 S 3 - by Bridgman method. X-ray diffraction studies reveal that they crystallize in trigonal and rhombohedral systems with lattice parameters of a = 3.796 x 2 A, c = 12.210 A, P3m1; a = 3.786 x 2 A, c = 36.606 A, R3m, respectively. An optical absorption edge in a wide range of photon energy and an energy gap width are determined: E g = 1.885 eV for Ga 0.5 Fe 0.5 InS 3 and E g 1.843 eV for Ga 0.5 Fe 0.25 In 1.25 S 3 [ru

  6. The Effects of a High Magnetic Field on the Annealing of [(Fe0.5Co0.50.75B0.2Si0.05]96Nb4 Bulk Metallic Glass

    Peng Jia

    2016-11-01

    Full Text Available In contrast with amorphous alloys, nanocrystalline soft magnetic materials show improved thermal stability and higher soft magnetic properties. The nanocrystalline soft magnetic composites are usually fabricated by partially crystallizing from parent amorphous alloys. This paper reports our experimental observation on the sequence of crystallization in metallic glass under a high magnetic field (HMF. An application of a HMF to bulk metallic glass (BMG of [(Fe0.5Co0.50.75B0.2Si0.05]96Nb4 prioritizes the precipitation of α-(Fe,Co phase separated from the subsequent precipitation of borides, (Fe,Co23B6, upon isothermal annealing at a glass transition temperature. Furthermore, it was observed that, through the annealing treatment under a HMF, a soft magnetic nanocomposite, in which only α-(Fe,Co phase uniformly distributes in amorphous matrix, was achieved for boron-bearing BMG. The promotion of the α-Fe or (Fe,Co phase and the prevention of the boride phases during the isothermal annealing process help to produce high-quality soft magnetic nanocomposite materials. The mechanism by which a HMF influences the crystallization sequence was interpreted via certain changes in Gibbs free energies for two ferromagnetic phases. This finding evidences that the annealing treatment under a HMF is suitable for enhancing the soft magnetic properties of high B content (Fe,Co-based bulk amorphous and nanocrystalline materials.

  7. Distribution of heavy metals (Cu and Fe in sea water of Gresik coastal area

    Nindyapuspa Ayu

    2018-01-01

    Full Text Available The improvement of industrial activities at Gresik Regency will increase the heavy metals concentration on the seawater at Gresik Regency. Therefore, the research of Fe and Cr distribution on the seawater at Gresik Regency has been conducted. Methods that were used is sampling by Nansen water sampler at three sampling points (housing in northern coastal Gresik Regency, Maspion V Industrial Estate, and Petrokimia Port. Samples were analyzed by Atomic Absorption Spectrophotometry (AAS to determine the concentration of heavy metals. The results showed that the highest Fe and Cr concentration are located at Maspion V Industrial Estate (0.452 mg/L and 0.081 mg/L respectively. Meanwhile, Fe and Cr concentrations at the housing in northern coastal are (0.408 mg/L and 0.081 mg/L respectively. The concentration of Fe and Cr at Petrokimia Port are 0.174 mg/L and 0.021 mg/L respectively.

  8. Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.

    McWilliams, Sean F; Rodgers, Kenton R; Lukat-Rodgers, Gudrun; Mercado, Brandon Q; Grubel, Katarzyna; Holland, Patrick L

    2016-03-21

    Alkali metal cations can interact with Fe-N2 complexes, potentially enhancing back-bonding or influencing the geometry of the iron atom. These influences are relevant to large-scale N2 reduction by iron, such as in the FeMoco of nitrogenase and the alkali-promoted Haber-Bosch process. However, to our knowledge there have been no systematic studies of a large range of alkali metals regarding their influence on transition metal-dinitrogen complexes. In this work, we varied the alkali metal in [alkali cation]2[LFeNNFeL] complexes (L = bulky β-diketiminate ligand) through the size range from Na(+) to K(+), Rb(+), and Cs(+). The FeNNFe cores have similar Fe-N and N-N distances and N-N stretching frequencies despite the drastic change in alkali metal cation size. The two diketiminates twist relative to one another, with larger dihedral angles accommodating the larger cations. In order to explain why the twisting has so little influence on the core, we performed density functional theory calculations on a simplified LFeNNFeL model, which show that the two metals surprisingly do not compete for back-bonding to the same π* orbital of N2, even when the ligand planes are parallel. This diiron system can tolerate distortion of the ligand planes through compensating orbital energy changes, and thus, a range of ligand orientations can give very similar energies.

  9. Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

    Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

    2001-05-01

    Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

  10. Temperature induced Spin Switching in SmFeO3 Single Crystal

    Cao, Shixun; Zhao, Huazhi; Kang, Baojuan; Zhang, Jincang; Ren, Wei

    2014-08-01

    The prospect of controlling the magnetization (M) of a material is of great importance from the viewpoints of fundamental physics and future applications of emerging spintronics. A class of rare-earth orthoferrites RFeO3 (R is rare-earth element) materials exhibit striking physical properties of spin switching and magnetization reversal induced by temperature and/or applied magnetic field. Furthermore, due to the novel magnetic, magneto-optic and multiferroic properties etc., RFeO3 materials are attracting more and more interests in recent years. We have prepared and investigated a prototype of RFeO3 materials, namely SmFeO3 single-crystal. And we report magnetic measurements upon both field cooling (FC) and zero-field cooling (ZFC) of the sample, as a function of temperature and applied magnetic field. The central findings of this study include that the magnetization of single-crystal SmFeO3 can be switched by temperature, and tuning the magnitude of applied magnetic field allows us to realize such spin switching even at room temperature.

  11. Manganese Abundances in the Stars with Metallicities -1 <[Fe/H]< +0.3

    Mishenina, T.; Gorbaneva, T.; Pignatari, M.; Thielemann, F.-K.; Korotin, S.

    2018-01-01

    We estimate the Mn abundances in the atmospheres of 247 F-G-K-type dwarf stars belonging to the thin and thick disk populations in the metallicity range -1 LTE approximation; the synthetic spectrum for the Mn lines was computed accounting for the hyperfine structure. Starting from the results obtained, we discuss the evolution of the [Mn/Fe] ratio with respect to [Fe/H] in the galactic disk.

  12. Manipulating Conduction in Metal Oxide Semiconductors: Mechanism Investigation and Conductance Tuning in Doped Fe2O3 Hematite and Metal/Ga2O3/Metal Heterostructure

    Zhao, Bo

    This study aims at understanding the fundamental mechanisms of conduction in several metal oxide semiconductors, namely alpha-Fe2O 3 and beta-Ga2O3, and how it could be tuned to desired values/states to enable a wide range of application. In the first effort, by adding Ti dopant, we successfully turned Fe2O3 from insulating to conductive by fabricated compositionally and structurally well-defined epitaxial alpha-(TixFe1-x)2 O3(0001) films for x ≤ 0.09. All films were grown by oxygen plasma assisted molecular beam epitaxy on Al2O3(0001) sapphire substrate with a buffer layer of Cr2O3 to relax the strain from lattice mismatch. Van der Pauw resistivity and Hall effect measurements reveal carrier concentrations between 1019 and 1020 cm-3 at room temperature and mobilities in the range of 0.1 to 0.6 cm2/V˙s. Such low mobility, unlike conventional band-conduction semiconductor, was attributed to hopping mechanism due to strong electron-phonon interaction in the lattice. More interestingly, conduction mechanism transitions from small-polaron hopping at higher temperatures to variable range hopping at lower temperatures with a transition temperature between 180 to 140 K. Consequently, by adding Ti dopant, conductive Fe 2O3 hematite thin films were achieved with a well-understood conducting mechanism that could guide further device application such as spin transistor and water splitting. In the case of Ga2O3, while having a band gap as high as 5 eV, they are usually conductive for commercially available samples due to unintentional Si doping. However, we discovered the conductance could be repeatedly switched between high resistance state and low resistance state when made into metal/Ga2O3 /metal heterostructure. However, to obtain well controlled switching process with consistent switching voltages and resistances, understanding switching mechanism is the key. In this study, we fabricated resistive switching devices utilizing a Ni/Ga2O3/Ir heterostructure. Bipolar

  13. Transition metals and PET - the challenge 52Fe

    Calonder, C.; Leenders, K.L.

    1997-01-01

    Methodology and limits of studying the biodistribution of 52 Fe in the brain with positron emission tomography (PET). The influence of the iron's daughter nuclide 52m Mn quantification of physiological relevant parameters is of special interest. (author) 1 fig., 3 refs

  14. Nucleation reactions during deformation and crystallization of metallic glass

    Perepezko, J.H.; Imhoff, S.D.; Chen, M.W.; Gonzalez, S.; Inoue, A.

    2012-01-01

    Highlights: ► New approach to the examination and analysis of shear band nucleation. ► Discovery of multiple shear band nucleation sites. ► Identification of a method of using transient kinetic behavior to provide a more realistic evaluation of the diffusivity that is relevant to nucleation. - Abstract: Nucleation reactions play a central role in the synthesis of both bulk metallic glasses and nanostructured materials. For nanostructured materials it is necessary to promote a high nucleation density without significant growth or coarsening. Beyond crystallization reactions nucleation of shear bands is critical for promoting a homogeneous flow and useful ductility for structural applications of bulk metallic glass. The study and analysis of nucleation reactions for these different situations requires a consideration of the stochastic nature of nucleation, the influence of heterogeneous sites, and the controlling transport properties. For shear band nucleation, the stochastic nature can be effectively probed by instrumented nanoindentation tests. The analysis of a statistically significant number of measurements of the first pop-in shear band nucleation events reveals at least two main nucleation sites. In nanostructured composites, the initial nucleation stage is influenced by transient effects as reflected in the delay time prior to steady state nucleation and by heterogeneous nucleation sites that are related to medium range order regions in Al-base amorphous alloys. Moreover, the early growth characteristics are linked to the maximum achievable particle density. The new developments and insight on the fundamental understanding of nanostructure reaction mechanisms offer valuable guidance for control of nanoscale microstructures and for promoting ductile deformation behavior.

  15. Temperature dependent tunneling study of CaFe{sub 1.96}Ni{sub 0.04}As{sub 2} single crystals

    Dutta, Anirban, E-mail: adatta@iitk.ac.in; Gupta, Anjan K. [Department of Physics, IIT Kanpur, Kanpur-208 016 (India); Thamizhavel, A. [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai-400 005 (India)

    2014-04-24

    We report on temperature dependent scanning tunneling microscopy and spectroscopy studies on CaFe{sub 1.96}Ni{sub 0.04}As{sub 2} single crystals in 5.4 – 19.7 K temperature range across the normal metal - superconductor transition temperature, T{sub C} = 14K. The in-situ cleaved crystals show reasonably flat surface with signatures of atomic resolution. The tunnel spectra show significant spatial inhomogeneity below T{sub C}, which reduces significantly as the temperature goes above the T{sub C}. We discuss these results in terms of an inhomogeneous electronic phase that may exist due to the vicinity of this composition to the quantum critical point.

  16. Dielectric properties of layered FeGaInS{sub 4} single crystals in an alternating electric field

    Mammadov, F. M. [Azerbaijan National Academy of Sciences, Nagiyev Institute of Catalysis and Inorganic Chemistry (Azerbaijan); Niftiyev, N. N., E-mail: namiq7@bk.ru [Azerbaijan State Pedagogical University (Azerbaijan)

    2016-09-15

    The results of investigations of the frequency and temperature dependences of dielectric losses and the imaginary part of the dielectric permittivity in FeGaInS{sub 4} single crystals are presented. Their experimental values are determined. It is established that the loss tangent and the imaginary part of the permittivity of FeGaInS{sub 4} single crystals in a field with frequencies of 10{sup 4}–10{sup 6} Hz decrease inversely proportional to the frequency (tanδ ~ 1/ω), and the conductivity is characterized by the band–hopping mechanism. For FeGaInS{sub 4}, the relaxation time is calculated, and it is established that there is a mechanism of electron polarization caused by thermal motion in this crystal.

  17. Determination of Fe charge-state distributions in PLT by Bragg crystal x-ray spectroscopy

    Hill, K.W.; von Goeler, S.; Bitter, M.

    1978-08-01

    A curved-crystal Bragg x-ray spectrometer has been used to measure Kα or 1s-2p radiation from highly stripped Fe XVIII to Fe XXV impurity ions in the PLT tokamak. The spectrometer has sufficient energy resolution (approximately < 4 eV at 6400 eV) to distinguish between the different ionization states of iron by measuring the energy shift of the Kα x rays. The measured wavelengths agree well with theory and with spectra from solar flares and from laser-produced plasmas. The distribution of Fe charge states in the center of the discharge has been inferred from a comparison of the measured x-ray spectrum with theory. The shape of the spectrum depends strongly on electron temperature (T/sub e/) in the range T/sub e/ = 800 to 1500 eV. Within the factor of two uncertainty in L-shell ionization cross sections, measured intensities agree with theory, which is based on coronal equilibrium, indicating that the ion life-time in the center of the plasma is approximately equal to or greater than the equilibration time

  18. Single crystal neutron diffraction study of SrFeOsub(3-x)(x=0. 1)

    Oda, H; Yamaguchi, Y; Takei, H; Watanabe, H [Tohoku Univ., Sendai (Japan). Research Inst. for Iron, Steel and Other Metals

    1977-01-01

    Neutron diffraction study was carried out on single crystals of the perovskite oxide SrFeOsub(3-x)(x=0.1). SrFeOsub(3-x)(x=0.1) has a proper screw spin structure with the propagation vector parallel to (111) direction and its Neel temperature is 118 K. The electron configuration of Fe/sup 4 +/(3d/sup 4/) ion is close to the low-spin state (tsub(2g)sup(4)) and the oxygen ion has the unpaired electron with the magnetic moment of 0.3..mu..sub(B) antiparallel to the vector sum of the magnetic moments of two iron ions lying on the neighbouring planes perpendicular to the screw axis. The absolute value of the propagation vector is almost constant. 0.130x..sqrt..3.2..pi../a A/sup -1/, at temperatures below 50 K, while it decreases gradually at higher temperatures reaching 0.118x..sqrt..3.2..pi../a A/sup -1/ at Tsub(N).

  19. Exchange coupling in metallic multilayers with a top FeRh layer

    Yamada, S., E-mail: yamada@ee.es.osaka-u.ac.jp; Kanashima, T.; Hamaya, K., E-mail: hamaya@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Tanikawa, K. [Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Hirayama, J. [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Taniyama, T. [Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2016-05-15

    We study magnetic properties of metallic multilayers with FeRh/ferromagnet interfaces grown by low-temperature molecular beam epitaxy. Room-temperature coercivity of the ferromagnetic layers is significantly enhanced after the growth of FeRh, proving the existence of the exchange coupling between the antiferromagnetic FeRh layer and the ferromagnetic layer. However, exchange bias is not clearly observed probably due to the presence of disordered structures, which result from the lattice strain at the FeRh/ferromagnet interfaces due to the lattice mismatch. We infer that the lattice matched interface between FeRh and ferromagnetic layers is a key parameter for controlling magnetic switching fields in such multilayer systems.

  20. Crystallization behavior of Zr62Al8Ni13Cu17 Metallic Glass

    Jo Mi Sun

    2017-06-01

    Full Text Available The crystallization behavior has been studied in Zr62Al8Ni13Cu17 metallic glass alloy. The Zr62Al8Ni13Cu17 metallic glass crystallized through two steps. The fcc Zr2Ni phase transformed from the amorphous matrix during first crystallization and then the Zr2Ni and residual amorphous matrix transformed into a mixture of tetragonal Zr2Cu and hexagonal Zr6Al2Ni phases. Johnson-Mehl-Avrami analysis of isothermal transformation data suggested that the formation of crystalline phase is primary crystallization by diffusion-controlled growth.

  1. Friction and Wear of Metals With a Single-Crystal Abrasive Grit of Silicon Carbide - Effect of Shear Strength of Metal

    Miyoshi, Kazuhisa

    1978-01-01

    An investigation was conducted to examine the removal and plastic deformation of metal as a function of the metal properties when the metal is in sliding contact with a single-crystal abrasive grit of silicon carbide...

  2. Friction and metal transfer for single-crystal silicon carbide in contact with various metals in vacuum

    Miyoshi, K.; Buckley, D.H.

    1978-04-01

    Sliding friction experiments were conducted with single-crystal silicon carbide in contact with transition metals (tungsten, iron, rhodium, nickel, titanium, and cobalt), copper, and aluminum. Results indicate the coefficient of friction for a silicon carbide-metal system is related to the d bond character and relative chemical activity of the metal. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to the surface of silicon carbide in sliding. The chemical activity of metal to silicon and carbon and shear modulus of the metal may play important roles in metal transfer and the form of the wear debris. The less active metal is, and the greater resistance to shear it has, with the exception of rhodium and tungsten, the less transfer to silicon carbide

  3. Neutron diffraction study on the crystal and magnetic structures of arc-melted PrFe10.5Mo1.1C0.4 alloy

    Du Honglin; Xue Yanjie; Zhang Baisheng; Mao Weihua; Yang Jinbo; Cheng Benpei; Yang Yingchang

    1999-01-01

    The crystal and magnetic structures, especially the site occupation of C atoms in the crystal cell of arc-melted PrFe 10.5 Mo 1.1 C 0.4 permanent magnetic alloy have been determined by means of powder neutron diffraction study. Rietveld analysis of the neutron diffraction data indicates that Mo atoms prefers the 8i site, about 76 percent of the C atoms occupy the 8i substitution site, and the other part of C atoms enter the 2b interstitial site. The exact molecular formula should be Pr(Fe 10.575 Mo 1.250 C 0.1.75 C 0.055 . It seems that the site occupation of C atoms in the ThMn 12 -type carbides depends not only on the kind of substitutional transition metals, but also on the components of the substitutional transition metals in the compounds. There are still amount of work to make systematic studies on the relation between them. The effect of C atoms on the magnetic properties is also discussed. (author)

  4. Isochronal and isothermal crystallization kinetics of amorphous Fe-based alloys

    Zhang, J.T. [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Wang, W.M., E-mail: weiminw@sdu.edu.cn [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Ma, H.J.; Li, G.H.; Li, R.; Zhang, Z.H. [Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061 (China)

    2010-06-10

    Using the differential scanning calorimetry (DSC), the isochronal and isothermal crystallization kinetics of amorphous Fe{sub 61}Co{sub 9-x}Zr{sub 8}Mo{sub 5}W{sub x}B{sub 17} (x = 0 and 2) ribbons was investigated by the Kissinger equation and by the Kolmogorov-Johnson-Mehl-Avrami and Ranganathan-Heimendahl equations, respectively. The results show that tungsten can improve the activation energy E{sub 1}{sup K} for the first crystallization in the isochronal annealing process and activation energy E{sub n} for the nucleation in the isothermal annealing process, which can be ascribed to the dissolution of tungsten in the amorphous phase. Meanwhile, tungsten can decrease the activation energy E{sub 2}{sup K} for the second crystallization in the isochronal annealing process and growth activation energy E{sub g} in the isothermal annealing process, which is possibly associated with the formation of W-rich compound after the early nucleation process.

  5. Spatiotemporal dynamics of the spin transition in [Fe (HB(tz)3) 2] single crystals

    Ridier, Karl; Rat, Sylvain; Shepherd, Helena J.; Salmon, Lionel; Nicolazzi, William; Molnár, Gábor; Bousseksou, Azzedine

    2017-10-01

    The spatiotemporal dynamics of the spin transition have been thoroughly investigated in single crystals of the mononuclear spin-crossover (SCO) complex [Fe (HB (tz )3)2] (tz = 1 ,2 ,4-triazol-1-yl) by optical microscopy. This compound exhibits an abrupt spin transition centered at 334 K with a narrow thermal hysteresis loop of ˜1 K (first-order transition). Most single crystals of this compound reveal exceptional resilience upon repeated switching (several hundred cycles), which allowed repeatable and quantitative measurements of the spatiotemporal dynamics of the nucleation and growth processes to be carried out. These experiments revealed remarkable properties of the thermally induced spin transition: high stability of the thermal hysteresis loop, unprecedented large velocities of the macroscopic low-spin/high-spin phase boundaries up to 500 µm/s, and no visible dependency on the temperature scan rate. We have also studied the dynamics of the low-spin → high-spin transition induced by a local photothermal excitation generated by a spatially localized (Ø = 2 μ m ) continuous laser beam. Interesting phenomena have been evidenced both in quasistatic and dynamic conditions (e.g., threshold effects and long incubation periods, thermal activation of the phase boundary propagation, stabilization of the crystal in a stationary biphasic state, and thermal cutoff frequency). These measurements demonstrated the importance of thermal effects in the transition dynamics, and they enabled an accurate determination of the thermal properties of the SCO compound in the framework of a simple theoretical model.

  6. Superconductivity in Sm-doped CaFe2As2 single crystals

    Dong-Yun, Chen; Bin-Bin, Ruan; Jia, Yu; Qi, Guo; Xiao-Chuan, Wang; Qing-Ge, Mu; Bo-Jin, Pan; Tong, Liu; Gen-Fu, Chen; Zhi-An, Ren

    2016-06-01

    In this article, the Sm-doping single crystals Ca1 - x Sm x Fe2As2 (x = 0 ˜ 0.2) were prepared by the CaAs flux method, and followed by a rapid quenching treatment after the high temperature growth. The samples were characterized by structural, resistive, and magnetic measurements. The successful Sm-substitution was revealed by the reduction of the lattice parameter c, due to the smaller ionic radius of Sm3+ than Ca2+. Superconductivity was observed in all samples with onset T c varying from 27 K to 44 K upon Sm-doping. The coexistence of a collapsed phase transition and the superconducting transition was found for the lower Sm-doping samples. Zero resistivity and substantial superconducting volume fraction only happen in higher Sm-doping crystals with the nominal x > 0.10. The doping dependences of the c-axis length and onset T c were summarized. The high-T c observed in these quenched crystals may be attributed to simultaneous tuning of electron carriers doping and strain effect caused by lattice reduction of Sm-substitution. Project supported by the National Natural Science Foundation of China (Grant No. 11474339), the National Basic Research Program of China (Grant Nos. 2010CB923000 and 2011CBA00100), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB07020100).

  7. Viscosity Measurements of SiO2-"FeO"-MgO System in Equilibrium with Metallic Fe

    Chen, Mao; Raghunath, Sreekanth; Zhao, Baojun

    2014-01-01

    The present study delivers the measurements of viscosities in the SiO2-"FeO"-MgO system in equilibrium with metallic Fe. The rotational spindle technique was used for the measurements at the temperature range of 1523 K to 1773 K (1250 °C to 1500 °C). Molybdenum crucibles and spindles were employed in all measurements. The viscosity measurements were carried out at 31 to 47 mol pct SiO2 and up to 18.8 mol pct MgO. Analysis of the quenched sample by Electron probe X-ray microanalysis after the viscosity measurement enables the composition and microstructure of the slag to be directly linked with the viscosity. The replacement of "FeO" by MgO was found to increase viscosity and activation energy of the SiO2-"FeO"-MgO slags. The modified Quasi-chemical Viscosity Model was further optimized in this system based on the current viscosity measurements.

  8. Crystallization of an amorphous Fe72Ni9Si8B11 alloy upon laser heating and isothermal annealing

    Girzhon, V.V.; Smolyakov, A.V.; Yastrebova, T.S.

    2003-01-01

    With the use of methods of x-ray diffraction, resistometric and metallographic analyses specific features of crystallization and phase formation in amorphous alloy Fe 72 Ni 9 Si 8 B 11 are studied under various heating conditions. It is shown that laser heating results in alloy crystallization by an explosive mechanism when attaining a certain density of irradiation power. It is stated that ribbon surface laser heating with simultaneous water cooling of an opposite surface allows manufacturing two-layer amorphous-crystalline structures of the amorphous matrix + α-(Fe, Si) - amorphous matrix type [ru

  9. Revelation of endogenously bound Fe{sup 2+} ions in the crystal structure of ferritin from Escherichia coli

    Thiruselvam, Viswanathan [Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025 (India); Sivaraman, Padavattan [RIKEN SPring-8 Center, Harima Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan); Kumarevel, Thirumananseri, E-mail: kumarevel.thirumananseri@riken.jp [RIKEN SPring-8 Center, Harima Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan); Structural Biology Laboratory, RIKEN Yokohama Institute, RIKEN, 1-7-22 Suehiro-cho, Tsurumi, Yokohama 230-0045 (Japan); Ponnuswamy, Mondikalipudur Nanjappagounder, E-mail: mnpsy2004@yahoo.com [Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025 (India)

    2014-10-24

    Highlights: • Crystal structure of ferritin was determined. • Endogenously expressed iron’s were identified. • Binuclear iron sites were observed at A and B active sites. - Abstract: Ferritin is an iron regulatory protein. It is responsible for storage and detoxification of excess iron thereby it regulates iron level in the body. Here we report the crystal structure of ferritin with two endogenously expressed Fe atoms binding in both the sites. The protein was purified and characterized by MALDI-TOF and N-terminal amino acid sequencing. The crystal belongs to I4 space group and it diffracted up to 2.5 Å. The structural analysis suggested that it crystallizes as hexamer and confirmed that it happened to be the first report of endogenously expressed Fe ions incorporated in both the A and B sites, situated in between the helices.

  10. Non-repeatability of large plasticity for Fe-based bulk metallic glasses

    Yang, Weiming [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Sun, Baoan [Department of Mechanical and Biomedical Engineering, City University of Hong Kong (Hong Kong); Zhao, Yucheng, E-mail: zhaoyc1972@163.com [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Li, Qiang [School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046 (China); Hou, Long; Luo, Ning [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Dun, Chaochao [Department of Physics, Wake Forest University, Winston Salem, NC 27109 (United States); Zhao, Chengliang [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Ma, Zhanguo [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Liu, Haishun, E-mail: liuhaishun@126.com [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Shen, Baolong [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China)

    2016-08-15

    Serrated flow is an essential characteristic of the plastic deformation of metallic glasses. Under restricted loading conditions, the formation and expansion of shear bands act as the serrated flow of stress-strain curves in metallic glasses. In this work, serrated flows in Fe{sub 50}Ni{sub 30}P{sub 13}C{sub 7} glassy samples with different plasticity were studied. The distribution histogram shows a monotonically decreasing trend during the initial deformation stage (i.e., the plastic deformation in the range of 0–8%), whereas in the following deformation stage (i.e., a plastic deformation of 8–14%), the stress drop frequency distribution presents both a monotonically decreasing distribution and a peak shape similar to chaotic dynamics. It is shown that the spatial evolution behavior of shear bands in Fe{sub 50}Ni{sub 30}P{sub 13}C{sub 7} metallic glasses evolved from self-organized critical to chaotic dynamics in the form of serrated flow, which reveals the origin of discrete plasticity of Fe-based bulk metallic glasses. This study has potential applications for understanding the plastic deformation mechanism. - Highlights: • Two-stage deformation mechanism in Fe-based bulk metallic glasses. • Distribution of the stress drop amplitude is significantly different at two stages. • The stages are related to multiple shear bands and discrete plasticity.

  11. Non-repeatability of large plasticity for Fe-based bulk metallic glasses

    Yang, Weiming; Sun, Baoan; Zhao, Yucheng; Li, Qiang; Hou, Long; Luo, Ning; Dun, Chaochao; Zhao, Chengliang; Ma, Zhanguo; Liu, Haishun; Shen, Baolong

    2016-01-01

    Serrated flow is an essential characteristic of the plastic deformation of metallic glasses. Under restricted loading conditions, the formation and expansion of shear bands act as the serrated flow of stress-strain curves in metallic glasses. In this work, serrated flows in Fe_5_0Ni_3_0P_1_3C_7 glassy samples with different plasticity were studied. The distribution histogram shows a monotonically decreasing trend during the initial deformation stage (i.e., the plastic deformation in the range of 0–8%), whereas in the following deformation stage (i.e., a plastic deformation of 8–14%), the stress drop frequency distribution presents both a monotonically decreasing distribution and a peak shape similar to chaotic dynamics. It is shown that the spatial evolution behavior of shear bands in Fe_5_0Ni_3_0P_1_3C_7 metallic glasses evolved from self-organized critical to chaotic dynamics in the form of serrated flow, which reveals the origin of discrete plasticity of Fe-based bulk metallic glasses. This study has potential applications for understanding the plastic deformation mechanism. - Highlights: • Two-stage deformation mechanism in Fe-based bulk metallic glasses. • Distribution of the stress drop amplitude is significantly different at two stages. • The stages are related to multiple shear bands and discrete plasticity.

  12. Single crystal polarized neutron diffraction study of the magnetic structure of HoFeO3.

    Chatterji, T; Stunault, A; Brown, P J

    2017-09-27

    Polarised neutron diffraction measurements have been made on HoFeO 3 single crystals magnetised in both the [0 0 1] and [1 0 0] directions (Pbnm setting). The polarisation dependencies of Bragg reflection intensities were measured both with a high field of [Formula: see text] T parallel to [0 0 1] at [Formula: see text] K and with the lower field [Formula: see text] T parallel to [1 0 0] at [Formula: see text] K. A Fourier projection of magnetization induced parallel to [0 0 1], made using the hk0 reflections measured in 9 T, indicates that almost all of it is due to alignment of Ho moments. Further analysis of the asymmetries of general reflections in these data showed that although, at 70 K, 9 T applied parallel to [0 0 1] hardly perturbs the antiferromagnetic order of the Fe sublattices, it induces significant antiferromagnetic order of the Ho sublattices in the [Formula: see text] plane, with the antiferromagnetic components of moment having the same order of magnitude as the induced ferromagnetic ones. Strong intensity asymmetries measured in the low temperature [Formula: see text] structure with a lower field, 0.5 T [Formula: see text] [1 0 0] allowed the variation of the ordered components of the Ho and Fe moments to be followed. Their absolute orientations, in the [Formula: see text] domain stabilised by the field were determined relative to the distorted perovskite structure. This relationship fixes the sign of the Dzyalshinski-Moriya (D-M) interaction which leads to the weak ferromagnetism. Our results indicate that the combination of strong y-axis anisotropy of the Ho moments and Ho-Fe exchange interactions breaks the centrosymmetry of the structure and could lead to ferroelectric polarization.

  13. Crystal structure and spin state of mixed-crystals of Fe(NCS)x(NCBH3)2-x(bpp)2 (bpp = 1,3-BIS(4-pyridyl)propane)

    Dote, Haruka; Yasuhara, Hiroki; Nakashima, Satoru

    2013-01-01

    New mixed crystals, Fe(NCS) x (NCBH 3 ) (2-x) (bpp) 2 were synthesized. 57 Fe Mössbauer spectroscopy showed that the ratio of low-spin state in the Fe(NCBH 3 ) 2 unit changed with the change of x. The results revealed that the high spin site of Fe(NCS) 2 unit affects the spin state of Fe(NCBH 3 ) 2 unit. (author)

  14. Immobilization of radionuclides and heavy metals through anaerobic bio-oxidation of Fe(II)

    Lack, J.G.; Chaudhuri, S.K.; Kelly, S.D.; Kemner, K.M.; O'Connor, S.M.; Coates, J.D.

    2002-01-01

    Adsorption of heavy metals and radionuclides (HMR) onto iron and manganese oxides has long been recognized as an important reaction for the immobilization of these compounds. However, in environments containing elevated concentrations of these HMR the adsorptive capacity of the iron and manganese oxides may well be exceeded, and the HMR can migrate as soluble compounds in aqueous systems. Here we demonstrate the potential of a bioremediative strategy for HMR stabilization in reducing environments based on the recently described anaerobic nitrate-dependent Fe(II) oxidation by Dechlorosoma species. Bio-oxidation of 10 mM Fe(II) and precipitation of Fe(III) oxides by these organisms resulted in rapid adsorption and removal of 55 μM uranium and 81 μM cobalt from solution. The adsorptive capacity of the biogenic Fe(III) oxides was lower than that of abiotically produced Fe(III) oxides (100 μM for both metals), which may have been a result of steric hindrance by the microbial cells on the iron oxide surfaces. The binding capacity of the biogenic oxides for different heavy metals was indirectly correlated to the atomic radius of the bound element. X-ray absorption spectroscopy indicated that the uranium was bound to the biogenically produced Fe(III) oxides as U(VI) and that the U(VI) formed bidentate and tridentate inner-sphere complexes with the Fe(III) oxide surfaces. Dechlorosoma suillum oxidation was specific for Fe(II), and the organism did not enzymatically oxidize U(IV) or Co(II). Small amounts (less than 2.5 μM) of Cr(III) were reoxidized by D. suillum; however, this appeared to be inversely dependent on the initial concentration of the Cr(III). The results of this study demonstrate the potential of this novel approach for stabilization and immobilization of HMR in the environment.

  15. Synthesis of Mg2FeH6 containing as additives transition metal and transition metal fluorides or carbon

    Zepon, G.; Leiva, D.R.; Botta, W.J.

    2010-01-01

    The Mg 2 FeH 6 is a promising way of storing hydrogen in solid form, composed by elements that have low cost and, at the same time, high volumetric storage density: 150 kg H 2 /m 3 . However, this complex hydride is not easily synthesized as a single phase material. The hydrogen sorption high temperature and slow kinetics are the major limitations for the practical application of the Mg 2 FeH 6 as a hydrogen storage material. Little is known about the effects of additives in Mg 2 FeH 6 based nanocomposites in this work were synthesized by MAE under hydrogen atmosphere nanocomposites based on Mg 2 FeH 6 containing additives as transition metals, transition metals fluorides of transition metals or carbon, in order to obtain information on the effects of the selected additives. To this end, we used characterization techniques such as XRD, SEM and TEM, thermal analysis by DSC and curves made in apparatus PCT.(author)

  16. Characterization of a Fe-based alloy system for an AFCI metallic waste form - 16134

    Williamson, Mark J.; Sindelar, Robert L.

    2009-01-01

    The AFCI waste management program aims to provide a minimum volume stable waste form for high level radioactive waste from the various process streams. The AFCI Integrated Waste Management Strategy document has identified a Fe-Zr metallic waste form (MWF) as the baseline alloy for disposal of Tc metal, undissolved solids, and TRUEX fission product wastes. Several candidate alloys have been fabricated using vacuum induction melting to investigate the limits of waste loading as a function of Fe and Zr content. Additional melts have been produced to investigate source material composition. These alloys have been characterized using SEM/EDS and XRD. Phase assemblage and specie partitioning of Re metal (surrogate for Tc) and noble metal FP elements into the phases is reported. (authors)

  17. Cluster-based bulk metallic glass formation in Fe-Si-B-Nb alloy systems

    Zhu, C L; Wang, Q; Li, F W; Li, Y H; Wang, Y M; Dong, C [State Key Laboratory of Materials Modification, Dalian University of Technology (DUT), Dalian 116024 (China); Zhang, W; Inoue, A, E-mail: dong@dlut.edu.c [Institute for Materials Research (IMR), Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577 (Japan)

    2009-01-01

    Bulk metallic glass formations have been explored in Fe-B-Si-Nb alloy system using the so-called atomic cluster line approach in combination with minor alloying guideline. The atomic cluster line refers to a straight line linking binary cluster to the third element in a ternary system. The basic ternary compositions in Fe-B-Si system are determined by the inetersection points of two cluster lines, namely Fe-B cluster to Si and Fe-Si cluster to B, and then further alloyed with 3-5 at. % Nb for enhancing glass forming abilities. BMG rods with a diameter of 3 mm are formed under the case of minor Nb alloying the basic intersecting compositions of Fe{sub 8}B{sub 3}-Si with Fe{sub 12}Si-B and Fe{sub 8}B{sub 2}-Si with Fe{sub 9}Si-B. The BMGs also exhibit high Vickers hardness (H{sub v}) of 1130-1164 and high Young's modulous (E) of 170-180 GPa

  18. Structural Mimics of the [Fe]-Hydrogenase: A Complete Set for Group VIII Metals.

    Barik, Chandan Kr; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee

    2018-06-18

    A set of structural mimics of the [Fe]-hydrogenase active site comprising all the group VIII metals, viz., [M(2-NHC(O)C 5 H 4 N)(CO) 2 (2-S-C 5 H 4 N)], has been synthesized. They exist as a mixture of isomers in solution, and the relative stability of the isomers depends on the nature of the metal and the substituent at the 6-position of the pyridine ligand.

  19. Positron lifetime and Moessbauer study of Fe80-xNixB20 metallic glasses

    Baluch, S.; Miglierini, M.; Groene, R.; Sitek, J.

    1989-01-01

    In order to investigate the short-range order (SRO) of iron-rich Fe 80-x Ni x B 20 (x = 10, 20, 30, 40) metallic glasses positron lifetime and Moessbauer measurements were carried out. Positron lifetimes of samples and Moessbauer hyperfine structure data of neutron-irradiated samples as functions of nickel content are shown and discussed. Results give evidence that high Ni content stabilizes the structure and can be connected with a higher degree of SRO in metallic glasses

  20. Electron paramagnetic resonance of Na, [(FeEDTA)2oJ-12H20] crystal electrons

    Esquivel, Darci Motta de Souza

    1974-01-01

    Crystals of Na [(Fe EDTA) 2 o] ·12H 2 0 were investigated by means of electron paramagnetic resonance spectroscopy. The spectra were obtained at various temperatures and crystals orientations. These spectra are very complex with many absorption bands. As the crystal orientation with respect to the magnetic field was changed the variations of the intensity and number of bands were recorded. The antiferromagnetic coupling between the iron atoms in the bridge Fe - 0 - Fe gives rise to states with total spin quantum number S= 0, 1, 2, 3, 4 and 5. Analyses of the EPR spectra as a function of temperature provided a means for the identification of the EPR absorption bands attributed to the states with S = 2. It was also possible to calculate the exchange parameter value J = 300 K. From the study of bands angular dependence in relation to the crystal orientation in the magnetic field it was found that the magnetic crystal axes X, Y, Z and the crystals axes a, b, c are related as (a, b, c) = (Y, Z, X) ! with a precision of 5 deg. Also the crystalline distortion parameters were calculated D = 0.21 ± 0.02 cm 1 ; E = 0.015 ± 0.005 cm 1 . (author)

  1. FeSiBP bulk metallic glasses with high magnetization and excellent magnetic softness

    Makino, Akihiro [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan)], E-mail: amakino@imr.tohoku.ac.jp; Kubota, Takeshi; Chang, Chuntao [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan); Makabe, Masahiro [Makabe R and D Co., Ltd., 3-1-25 Nagatake, Sendai 983-0036 (Japan); Inoue, Akihisa [Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan)

    2008-10-15

    Fe-based amorphous alloy ribbons are one of the major soft magnetic materials, because of their superior magnetic properties such as the relatively high saturation magnetization (J{sub s}) of 1.5-1.6 T and good magnetic softness. However, the preparation of the ordinary amorphous magnetic alloys requires cooling rates higher than 10{sup 4} K/s due to the low glass-forming ability (GFA) and thus restricts the material outer shape. Recently, Fe-metalloid-based bulk metallic glasses (BMGs) containing glass-forming elements such as Al, Ga, Nb, Mo, Y and so forth have been developed. These alloys have high GFA, leading to the formation of BMG rod with diameters of mm-order. However, the glass-forming metal elements in BMGs result in a remarkable decrease in magnetization. Basically, J{sub s} depends on Fe content; hence, high J{sub s} requires high Fe content in the Fe-based amorphous alloys or BMGs. On the other hand, high GFA requires a large amount of glass-forming elements in the alloys, which results in lower Fe content. Therefore, in substances, the coexistence of high J{sub s} and high GFA is difficult. Since this matter should be immensely important from academia to industry in the material field, a great deal of effort has been devoted; however, it has remained unsolved for many years. In this paper, we present a novel Fe-rich FeSiBP BMG with high J{sub s} of 1.51 T comparable to the ordinary Fe-Si-B amorphous alloy now in practical use as well as with high GFA leading to a rod-shaped specimen of 2.5 mm in diameter, obtained by Cu-mold casting in air.

  2. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    Afify, N. D.; Salem, H. G.; Yavari, A.; El Sayed, Tamer S.

    2013-01-01

    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano

  3. Heterojunction metal-oxide-metal Au-Fe{sub 3}O{sub 4}-Au single nanowire device for spintronics

    Reddy, K. M., E-mail: mrkongara@boisestate.edu; Punnoose, Alex; Hanna, Charles [Department of Physics, Boise State University, Boise, Idaho 83725 (United States); Padture, Nitin P. [School of Engineering, Brown University, Providence, Rhode Island 02912 (United States)

    2015-05-07

    In this report, we present the synthesis of heterojunction magnetite nanowires in alumina template and describe magnetic and electrical properties from a single nanowire device for spintronics applications. Heterojunction Au-Fe-Au nanowire arrays were electrodeposited in porous aluminum oxide templates, and an extensive and controlled heat treatment process converted Fe segment to nanocrystalline cubic magnetite phase with well-defined Au-Fe{sub 3}O{sub 4} interfaces as confirmed by the transmission electron microscopy. Magnetic measurements revealed Verwey transition shoulder around 120 K and a room temperature coercive field of 90 Oe. Current–voltage (I-V) characteristics of a single Au-Fe{sub 3}O{sub 4}-Au nanowire have exhibited Ohmic behavior. Anomalous positive magnetoresistance of about 0.5% is observed on a single nanowire, which is attributed to the high spin polarization in nanowire device with pure Fe{sub 3}O{sub 4} phase and nanocontact barrier. This work demonstrates the ability to preserve the pristine Fe{sub 3}O{sub 4} and well defined electrode contact metal (Au)–magnetite interface, which helps in attaining high spin polarized current.

  4. Dissolution of Fe(III) (hydr) oxides by metal-EDTA complexes

    Ngwack, Bernd; Sigg, Laura

    1997-03-01

    The dissolution of Fe(III)(hydr)oxides (goethite and hydrous ferric oxide) by metal-EDTA complexes occurs by ligand-promoted dissolution. The process is initiated by the adsorption of metal-EDTA complexes to the surface and is followed by the dissociation of the complex at the surface and the release of Fe(III)EDTA into solution. The dissolution rate is decreased to a great extent if EDTA is complexed by metals in comparison to the uncomplexed EDTA. The rate decreases in the order EDTA CaEDTA ≫ PbEDTA > ZnEDTA > CuEDTA > Co(II)EDTA > NiEDTA. Two different rate-limiting steps determine the dissolution process: (1) detachment of Fe(III) from the oxide-structure and (2) dissociation of the metal-EDTA complexes. In the case of goethite, step 1 is slower than step 2 and the dissolution rates by various metals are similar. In the case of hydrous ferric oxide, step 2 is rate-limiting and the effect of the complexed metal is very pronounced.

  5. Surface modes at metallic an photonic crystal interfaces

    Dai, Weitao [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    A surface mode is an electromagnetic field distribution bounded at a surface. It decays exponentially with the distance from the surface on both sides of the surface and propagates at the surface. The surface mode exists at a metal-dielectric interface as surface plasmon (1) or at a photonic crystal surface terminated properly (34; 35; 36). Besides its prominent near-filed properties, it can connect structures at its propagation surface and results in far-field effects. Extraordinary transmission (EOT) and beaming are two examples and they are the subjects I am studying in this thesis. EOT means the transmission through holes in an opaque screen can be much larger than the geometrical optics limitation. Based on our everyday experience about shadows, the transmission equals the filling ratio of the holes in geometrical optics. The conventional diffraction theory also proved that the transmission through a subwavelength circular hole in an infinitely thin perfect electric conductor (PEC) film converges to zero when the hole's dimension is much smaller than the wavelength (40). Recently it is discovered that the transmission can be much larger than the the filling ratio of the holes at some special wavelengths (41). This cannot be explained by conventional theories, so it is called extraordinary transmission. It is generally believed that surface plasmons play an important role (43; 44) in the EOT through a periodic subwavelength hole array in a metallic film. The common theories in literatures are based on these arguments. The surface plasmons cannot be excited by incident plane waves directly because of momentum mismatch. The periodicity of the hole arrays will provide addition momentum. When the momentum-matching condition of surface plasmons is satisfied, the surface plasmons will be excited. Then these surface plasmons will collect the energy along the input surface and carry them to the holes. So the transmission can be bigger than the filling ratio. Based

  6. Synthesis, crystal structure and electrochemical properties of the manganese-doped LiNaFe[PO{sub 4}]F materials

    Ben Yahia, Hamdi, E-mail: benyahia.hamdi@aist.go.jp; Shikano, Masahiro, E-mail: shikano.masahiro@aist.go.jp; Sakaebe, Hikari; Kobayashi, Hironori

    2013-08-15

    The new compounds LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F (x ≤ 1/4) were synthesized by a solid state reaction route. The crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F was determined from single crystal X-ray diffraction data. LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F crystallizes with the Li{sub 2}Ni[PO{sub 4}]F-type structure, space group Pnma, a = 10.9719(13), b = 6.3528(7), c = 11.4532(13) Å, V = 798.31(16) Å{sup 3}, and Z = 8. The structure consists of edge-sharing (Fe{sub 3/4}Mn{sub 1/4})O{sub 4}F{sub 2} octahedra forming (Fe{sub 3/4}Mn{sub 1/4})FO{sub 3} chains running along the b-axis. These chains are interlinked by PO{sub 4} tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The manganese-doped phases show poor electrochemical behavior comparing to the iron pure phase LiNaFe[PO{sub 4}]F. - Highlights: • We investigated the synthesis of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F by solid state reaction. • We demonstrated that a solid solution exist only for x ≤ 1/4. • We solved the crystal structure of LiNaFe{sub 3/4}Mn{sub 1/4}[PO{sub 4}]F using single crystal data. • We studied the electrochemical performances of LiNaFe{sub 1−x}Mn{sub x}[PO{sub 4}]F. • The Mn-doped phases have poor electrochemical performances comparing to LiNaFe[PO{sub 4}]F.

  7. Bulk glass formation and crystallization in zirconium based bulk metallic glass forming alloys

    Savalia, R.T.; Neogy, S.; Dey, G.K.; Banerjee, S.

    2002-01-01

    The microstructures of Zr based metallic glasses produced in bulk form have been described in the as-cast condition and after crystallization. Various microscopic techniques have been used to characterize the microstructures. The microstructure in the as-cast condition was found to contain isolated crystals and crystalline aggregates embedded in the amorphous matrix. Quenched-in nuclei of crystalline phases were found to be present in fully amorphous regions. These glasses after crystallization gave rise to nanocrystalline solids. (author)

  8. X-ray characteristic temperature of Fe-Ni alloys with different crystal lattices

    Krasnikova, G.N.; Ushakov, A.I.; Kazakov, V.G.; Bochkarev, V.F.; Gorovoj, A.M.

    1978-01-01

    Investigated has been the temperature dependence of the thermal expansion coefficient and the characteristic Debye temperature of the ferronickel films, having a body-centered (cubic) and a face-centered (cubic) lattice. In case of the body-centered lattice films the tests have been staged in the 100-200 deg C range, and in case of the face c.entered lattice films - in the 20-300 deg C range. The study of temperature dependence of the thermal expansion coefficient has revealed that a non-linear growth of the thermal expansion coefficient occurs in α-phase samples when approaching the phase transition temperature. The phase transition in the Invar composition Fe-Ni films is conductive to a considerable variation of the Debye temperature. Approaching the phase transition temperature, the crystal lattice dynamic characteristics vary

  9. Liquid metal extraction of Nd from NdFeB magnet scrap

    Xu, Yanchen [Iowa State Univ., Ames, IA (United States)

    1999-12-10

    This research involves using molten magnesium (Mg) to remove neodymium (Nd) from NdFeB magnet scrap by diffusion. The results show that liquid metal extraction of Nd may be a viable and inexpensive method for recovering the expensive rare earth element Nd for use in Mg castings.

  10. Origin of metallic Fe-Ni in Renazzo and related chondrites

    Lee, Min S.; Rubin, Alan E.; Wasson, John T.

    1992-01-01

    To assess the formation of metallic Fe-Ni in Renazzo and related chondrites, Ni and Co zoning profiles in metallic Fe-Ni are determined from different petrographic sites (chondrule interiors, chondrule margins, chondrule rims, and matrix) in Renazzo, Al Rais, and the related chondrite, MacAlpine Hills 87320. Metal from chondrule interiors shows flat Ni and Co concentrations and profiles, moderately large grain-to-grain compositional variations (even with chondrules), and generally high Ni and Co. Nickel concentrations extend above the kamacite stability limit; etching such 'martensite' shows high-Ni domains in some cases, but observed Ni concentrations do not exceed 190 mg/g. Metal from chondrule margins adjacent to matrix shows convex Ni and Co zoning profiles; the highest Ni and Co concentrations are at grain centers, although the mean central Ni and Co concentrations in margin grains are much lower than those from chondrule interiors; the remainder are convex. The low Co and Ni contents at the edge of grains in chondrule margins are interpreted to reflect dilution by Fe produced by FeO reduction.

  11. Metallic glasses of the type Fe80B17X3

    Riedel, M.; Gnaser, H.; Ruedenauer, F.G.

    1981-08-01

    Absolute and relative practical sensitivities for Osub2sup+ - bombardement of 14 elements, present as a 3% admixture in a Fe80B17X3 metallic glass matrix, were determined by SIMS. The variation of sensitivity data between elements is similar to that found for pure element samples. The 3% admixture causes a small but statistically significant matrix effect on the matrix elements Fe and B. Comparison with yield data of the same minor impurity elements in other matrices (stainless steel, silicon) shows, that sensitivities in different matrices are within 30% for most elements, indicating the possibility of transferring relative sensitivity factor data determined on metallic glasses to other Fe-based alloys and thereby obtaining a semi- quantitative analysis. (author)

  12. Standard test method for determining the orientation of a metal crystal

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method covers the back-reflection Laue procedure for determining the orientation of a metal crystal. The back-reflection Laue method for determining crystal orientation (1, 2) may be applied to macrograins (3) (0.5-mm diameter or larger) within polycrystalline aggregates, as well as to single crystals of any size. The method is described with reference to cubic crystals; it can be applied equally well to hexagonal, tetragonal, or orthorhombic crystals. 1.2 Most natural crystals have well developed external faces, and the orientation of such crystals can usually be determined from inspection. The orientation of a crystal having poorly developed faces, or no faces at all (for example, a metal crystal prepared in the laboratory) must be determined by more elaborate methods. The most convenient and accurate of these involves the use of X-ray diffraction. The “orientation of a metal crystal” is known when the positions in space of the crystallographic axes of the unit cell have been located with...

  13. SERS active Ag encapsulated Fe@SiO2 nanorods in electromagnetic wave absorption and crystal violet detection.

    Senapati, Samarpita; Srivastava, Suneel Kumar; Singh, Shiv Brat; Kulkarni, Ajit R

    2014-11-01

    The present work is focused on the preparation of Fe nanorods by the chemical reduction of FeCl3 (aq) using NaBH4 in the presence of glycerol as template followed by annealing of the product at 500°C in the presence of H2 gas flow. Subsequently, its surface has been modified by silica followed by silver nanoparticles to form silica coated Fe (Fe@SiO2) and Ag encapsulated Fe@SiO2 nanostructure employing the Stöber method and silver mirror reaction respectively. XRD pattern of the products confirmed the formation of bcc phase of iron and fcc phase of silver, though silica remained amorphous. FESEM images established the growth of iron nanorods from the annealed product and also formation of silica and silver coating on its surface. The appearance of the characteristics bands in FTIR confirmed the presence of SiO2 on the Fe surface. Magnetic measurements at room temperature indicated the ferromagnetic behavior of as prepared iron nanorods, Fe@SiO2 and silver encapsulated Fe@SiO2 nanostructures. All the samples exhibited strong microwave absorption property in the high frequency range (10GHz), though it is superior for Ag encapsulated Fe@SiO2 (-14.7dB) compared with Fe@SiO2 (-9.7dB) nanostructures of the same thickness. The synthesized Ag encapsulated Fe@SiO2 nanostructure also exhibited the SERS phenomena, which is useful in the detection of the carcinogenic dye crystal violet (CV) upto the concentration of 10(-10)M. All these findings clearly demonstrate that the Ag encapsulated Fe@SiO2 nanostructure could efficiently be used in the environmental remediation. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Hydroponic phytoremediation of Cd, Cr, Ni, As, and Fe: can Helianthus annuus hyperaccumulate multiple heavy metals?

    January, Mary C; Cutright, Teresa J; Van Keulen, Harry; Wei, Robert

    2008-01-01

    Sundance sunflowers were subjected to contaminated solutions containing 3, 4, or 5 heavy metals, with and without EDTA. The sunflowers exhibited a metal uptake preference of Cd=Cr>Ni, Cr>Cd>Ni>As and Fe>As>Cd>Ni>Cr without EDTA and Cr>Cd>Ni, Fe>As>Cd>Cr>Ni with EDTA. As uptake was not affected by other metals, but it decreased Cd and Ni concentration in the stems. The presence of Fe improved the translocation of the other metals regardless of whether EDTA was present. In general, EDTA served as a hindrance to metal uptake. For the experiment with all five heavy metals, EDTA decreased Cd in the roots and stems from 2.11 to 1.36 and from 2.83 to 2.3 2mg g(-1) biomass, respectively. For the same conditions, Ni in the stems decreased from 1.98 to 0.94 mg g(-1) total metal uptake decreased from 14.95 mg to 13.89 mg, and total biomass decreased from 2.38 g to 1.99 g. These results showed an overall negative effect in addition of EDTA. However it is unknown whether the negative effect was due to toxicity posed by EDTA or the breaking of phytochelatin-metal bonds. The most important finding was the ability of Sundance sunflowers to achieve hyperaccumulator status for both As and Cd under all conditions studied. Ni hyperaccumulator status was only achieved in the presence of three metals without EDTA.

  15. Laser parameters of a Fe : ZnSe crystal in the 85-255-K temperature range

    Voronov, AA; Kozlovskii, [No Value; Korostelin, YV; Podmar'kov, YP; Frolov, MP

    The temperature dependence of the efficiency of a laser based on a Fe:ZnSe crystal grown from the vapour phase by the free-growth method is studied in the 85-255-K temperature range. As the temperature was increased, the slope efficiency of the laser with respect to absorbed energy decreased from

  16. Crystal structure of the FeS cluster-containing nucleotide excision repair helicase XPD.

    Stefanie C Wolski

    2008-06-01

    Full Text Available DNA damage recognition by the nucleotide excision repair pathway requires an initial step identifying helical distortions in the DNA and a proofreading step verifying the presence of a lesion. This proofreading step is accomplished in eukaryotes by the TFIIH complex. The critical damage recognition component of TFIIH is the XPD protein, a DNA helicase that unwinds DNA and identifies the damage. Here, we describe the crystal structure of an archaeal XPD protein with high sequence identity to the human XPD protein that reveals how the structural helicase framework is combined with additional elements for strand separation and DNA scanning. Two RecA-like helicase domains are complemented by a 4Fe4S cluster domain, which has been implicated in damage recognition, and an alpha-helical domain. The first helicase domain together with the helical and 4Fe4S-cluster-containing domains form a central hole with a diameter sufficient in size to allow passage of a single stranded DNA. Based on our results, we suggest a model of how DNA is bound to the XPD protein, and can rationalize several of the mutations in the human XPD gene that lead to one of three severe diseases, xeroderma pigmentosum, Cockayne syndrome, and trichothiodystrophy.

  17. Uniaxial-strain mechanical detwinning of CaFe2As2 and BaFe2As2 crystals: Optical and transport study

    Tanatar, M.A.; Blomberg, E.C.; Kreyssig, A.; Kim, M.G.; Ni, N.; Thaler, A.; Bud'ko, S.L.; Canfield, P.C.; Goldman, A.I.; Mazin, I.I.; Prozorov, R.

    2010-01-01

    The parent compounds of iron-arsenide superconductors, AFe 2 As 2 (A=Ca, Sr, Ba), undergo a tetragonal to orthorhombic structural transition at a temperature T TO in the range 135-205 K depending on the alkaline-earth element. Below T TO the free standing crystals split into equally populated structural domains, which mask intrinsic, in-plane, anisotropic properties of the materials. Here we demonstrate a way of mechanically detwinning CaFe 2 As 2 and BaFe 2 As 2 . The detwinning is nearly complete, as demonstrated by polarized light imaging and synchrotron x-ray measurements, and reversible, with twin pattern restored after strain release. Electrical resistivity measurements in the twinned and detwinned states show that resistivity, ρ, decreases along the orthorhombic a o axis but increases along the orthorhombic b o axis in both compounds. Immediately below T TO the ratio ρ bo /ρ ao = 1.2 and 1.5 for Ca and Ba compounds, respectively. Contrary to CaFe 2 As 2 , BaFe 2 As 2 reveals an anisotropy in the nominally tetragonal phase, suggesting that either fluctuations play a larger role above T TO in BaFe 2 As 2 than in CaFe 2 As 2 or that there is a higher temperature crossover or phase transition.

  18. The vertical metallicity gradient of the Milky Way disk: transitions in [α/Fe] populations

    Schlesinger, Katharine J.; Johnson, Jennifer A.; Rockosi, Constance M.; Lee, Young Sun; Beers, Timothy C.; Harding, Paul; Allende Prieto, Carlos; Bird, Jonathan C.; Schönrich, Ralph; Yanny, Brian; Schneider, Donald P.; Weaver, Benjamin A.; Brinkmann, Jon

    2014-01-01

    Using G dwarfs from the Sloan Extension for Galactic Understanding and Exploration (SEGUE) survey, we have determined the vertical metallicity gradient in the Milky Way's disk and examined how this gradient varies for different [α/Fe] subsamples. Our sample contains over 40,000 stars with low-resolution spectroscopy over 144 lines of sight. It also covers a significant disk volume, between ∼0.3 and 1.6 kpc from the Galactic plane, and allows us to examine the disk in situ, whereas previous analyses were more limited in scope. Furthermore, this work does not presuppose a disk structure, whether composed of a single complex population or distinct thin and thick disk components. We employ the SEGUE Stellar Parameter Pipeline to obtain estimates of stellar parameters, [Fe/H], and [α/Fe] and extract multiple volume-complete subsamples of approximately 1000 stars each. Based on SEGUE's target-selection algorithm, we adjust each subsample to determine an unbiased picture of disk chemistry; consequently, each individual star represents the properties of many. The metallicity gradient is –0.243 −0.053 +0.039 dex kpc –1 for the entire sample, which we compare to various literature results. This gradient stems from the different [α/Fe] populations inhabiting different ranges of height above the Galactic plane. Each [α/Fe] subsample shows little change in median [Fe/H] with height. If we associate [α/Fe] with age, the negligible gradients of our [α/Fe] subsamples suggest that stars formed in different epochs exhibit comparable vertical structure, implying similar star formation processes and evolution.

  19. Characterization and properties of sintered WC–Co and WC–Ni–Fe hard metal alloys

    Chang, Shih-Hsien; Chen, Song-Ling

    2014-01-01

    Highlights: • WC–Ni–Fe alloy sintered at 1400 °C had the highest hardness (HRA 85.3 ± 0.5). • The optimal WC–Ni–Fe sintered alloy possessed the highest TRS value (2524.5 ± 1.0 MPa). • The fracture toughness of the sintered WC–Ni–Fe alloys is mainly provided by the Ni–Fe binders. • WC–Ni–Fe sintered alloy possessed the highest fracture toughness of K IC (15.1 MPa m 1/2 ). • The WC–Ni–Fe sintered alloy had the much better corrosion resistance in 0.15 M HCl solution. -- Abstract: The aim of this study is to explore two different tungsten carbide binders (Co and Ni–Fe) and then impose various sintering temperature treatments. Experimental results show that the optimal sintering temperatures for WC–Co and WC–Ni–Fe hard metal alloys are 1350 °C and 1400 °C for 1 h, respectively. Meanwhile, the WC–Co and WC–Ni–Fe alloys undergo a well liquid-phase sintering and, thus, exhibit excellent mechanical properties. In addition, the sintered WC–Co and WC–Ni–Fe alloys show that when the relative density reached 99.76% and 99.68%, the hardness was enhanced to HRA 84.4 ± 0.5 and 85.3 ± 0.5, and the TRS increased to 2471.2 ± 1.0 and 2524.5 ± 1.0 MPa, respectively. Moreover, the corrosion test results show that the WC–Ni–Fe alloy sintered at 1400 °C had the lowest corrosion current (I corr ) of 1.11 × 10 −5 A cm −2 and the highest polarization resistance (R p ) of 2464.61 Ω cm 2 in 0.15 M HCl solution. Simultaneously, the fracture toughness of K IC increased to 15.1 MPa m 1/2 . Compared with sintered WC–Co alloys, the sintered WC–Ni–Fe hard metal alloys possessed much better corrosion resistance and mechanical properties

  20. Surface crystallization and magnetic properties of amorphous Fe80B20 alloy

    Vavassori, P.; Ronconi, F.; Puppin, E.

    1997-01-01

    We have studied the effects of surface crystallization on the magnetic properties of Fe 80 B 20 amorphous alloys. The surface magnetic properties have been studied with magneto-optic Kerr measurements, while those of bulk with a vibrating sample magnetometer. This study reveals that surface crystallization is similar to the bulk process but occurs at a lower temperature. At variance with previous results on other iron-based amorphous alloys the surface crystalline layer does not induce bulk magnetic hardening. Furthermore, both the remanence to saturation ratio and the bulk magnetic anisotropy do not show appreciable variations after the formation of the surface crystalline layer. The Curie temperature of the surface layer is lower with respect to the bulk of the sample. These effects can be explained by a lower boron concentration in the surface region of the as-cast amorphous alloy. Measurements of the chemical composition confirm a reduction of boron concentration in the surface region. copyright 1997 American Institute of Physics

  1. Heavy metal (Cu, Cr, Zn, and Fe) concentration on coralreef in panjang island coastal, Jepara

    Heni Susiati; Yarianto SBS; Ali Arman L; Yulizon Menri

    2008-01-01

    Observation on the accumulation of Cu, Cr, Zn, and Fe heavy metals in coral tissue were carried out in Panjang island, Jepara by NAA method. The purpose of this research is to determine the concentration of heavy metals on coral reef tissue in order to update environmental data to support site licensing and Environmental Impact Assessment (EIA) of Nuclear Power Plants (NPP). The result indicated that the concentration of Zn is 1,78 - 42,34 ppm, Cu is undetected - 0,41 ppm, Cr is 0,03 - 0,35 ppm and Fe is 5,25 - 30,56 ppm. The data shows that the accumulation of heavy metals in the coral reef tissue is higher than environmental threshold value, especially for marine biota life referring to the Environmental Ministry Decree Number 51 year 2004. (author)

  2. Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

    Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

    2016-01-01

    Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

  3. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  4. Short-range order in Fe-based metallic glasses: Wide-angle X-ray scattering studies

    Babilas, Rafał; Hawełek, Łukasz; Burian, Andrzej

    2014-01-01

    The local atomic structure of the Fe 80 B 20 , Fe 70 Nb 10 B 20 and Fe 62 Nb 8 B 30 glasses prepared in the form of ribbons has been studied by wide-angle X-ray scattering. Structural information about the amorphous ribbons has been derived from analysis of the radial distribution functions using the least-squares curve-fitting method. The obtained structural parameters indicate that Fe–Fe, Fe–B, Fe–Nb and Nb–B contributions are involved in the near-neighbor coordination spheres. The possible similarities of the local atomic arrangement in the investigated glasses and the crystalline Fe 3 B, Fe 23 B 6 and bcc Fe structures are also discussed. - Graphical abstract: Pair distribution functions (a) and best-fit model and experimental radial distribution functions for Fe 80 B 20 (b), Fe 70 Nb 10 B 20 (c) and Fe 62 Nb 8 B 30 (d) metallic glasses. - Highlights: • The short-range ordering in the Fe-based metallic glasses is presented. • The results of RDF function have been analyzed using the least-squares method. • The Fe–Fe, Fe–B, Fe–Nb or Nb–B contributions are involved in coordination spheres. • The structural unit is distorted triangular prism containing B, Fe or Nb atoms. • Similarities of atomic arrangement in glassy and crystalline structures are discussed

  5. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    Afify, N. D.

    2013-10-01

    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

  6. Brazing characteristics of a Zr-Ti-Cu-Fe eutectic alloy filler metal for Zircaloy-4

    Lee, Jung G.; Lim, C. H.; Kim, K. H.; Park, S. S.; Lee, M. K.; Rhee, C. K.

    2013-10-01

    A Zr-Ti-Cu-Fe quaternary eutectic alloy was employed as a new Be-free brazing filler metal for Zircaloy-4 to supersede physically vapor-deposited Be coatings used conventionally with several disadvantages. The quaternary eutectic composition of Zr58Ti16Cu10Fe16 (at.%) showing a low melting temperature range from 832 °C to 853 °C was designed by a partial substitution of Zr with Ti based on a Zr-Cu-Fe ternary eutectic system. By applying an alloy ribbon with the determined composition, a highly reliable joint was obtained with a homogeneous formation of predominantly grown α-Zr phases owing to a complete isothermal solidification, exhibiting strength higher than that of Zircaloy-4. The homogenization of the joint was rate-controlled by the diffusion of the filler elements (Ti, Cu, and Fe) into the Zircaloy-4 base metal, and the detrimental segregation of the Zr2Fe phase in the central zone was completely eliminated by an isothermal holding at a brazing temperature of 920 °C for 10 min.

  7. FeNbB bulk metallic glass with high boron content

    Stoica, M.; Das, Jayanta; Eckert, Juergen [IFW Dresden, Institute for Complex Materials, P.O. Box 270016, D-01171 Dresden (Germany); Hajlaoui, Khalil; Yavari, Alain Reza [LTPCM-CNRS, I.N.P. Grenoble, 1130 Rue de la Piscine, BP 75, F-38402 University Campus (France)

    2007-07-01

    Fe-based alloys able to form magnetic bulk metallic glasses (BMGs) are of the type transition metal - metalloid and often contain 5 or more elements. Usually, the metalloid content is around 20 atomic %. Very recently, the Fe{sub 66}Nb{sub 4}B{sub 30} alloy was found to be able to form BMG by copper mold casting technique, despite its high metalloid content. Several composition with boron contents around 30 at. % or even higher were calculated since 1993 as possible compositions of the remaining amorphous matrix after the first stage of nanocrystallization of Finemet-type Fe{sub 77}Si{sub 14}B{sub 9} glassy ribbons with 0.5 to 1 atomic % Cu and a few percent Nb addition. Melt-spun ribbons of all calculated compositions were found to be glassy. The composition of the ternary Fe-based BMG investigated in the present study resulted as an optimization of all possibilities. The alloy is ferromagnetic with glass transition temperature T{sub g}=845 K, crystallisation temperature T{sub x}=876 K, liquidus temperature T{sub liq}=1451 K and mechanical strength of 4 GPa. The coercivity of as-cast samples is very low, around 1.5 A/m. The present contribution aims at discussing the thermal stability, mechanical and magnetic properties of the Fe{sub 66}Nb{sub 4}B{sub 30} BMG.

  8. Reversible Exsolution of Nanometric Fe2O3 Particles in BaFe2-x(PO4)2 (0 ≤ x ≤ 2/3):The Logic of Vacancy Ordering in Novel Metal-Depleted Two-Dimensional Lattices

    Alcover, Ignacio Blazquez; David, Rénald; Daviero-Minaud, Sylvie; Filimonov, Dmitry; Huvé, Marielle; Roussel, Pascal; Kabbour, Houria; Mentré, Olivier [CNRS-UMR

    2015-08-12

    We show here that the exsolution of Fe2+ ions out of two-dimensional (2D) honeycomb layers of BaFe2(PO4)2 into iron-deficient BaFe2–x(PO4)2 phases and nanometric α-Fe2O3 (typically 50 nm diameter at the grain surface) is efficient and reversible until x = 2/3 in mild oxidizing/reducing conditions. It corresponds to the renewable conversion of 12 wt % of the initial mass into iron oxide. After analyzing single crystal X-ray diffraction data of intermediate members x = 2/7, x = 1/3, x = 1/2 and the ultimate Fe-depleted x = 2/3 term, we then observed a systematic full ordering between Fe ions and vacancies (VFe) that denote unprecedented easy in-plane metal diffusion driven by the Fe2+/Fe3+ redox. Besides the discovery of a diversity of original depleted triangular {Fe2/3+2–xO6} topologies, we propose a unified model correlating the x Fe-removal and the experimental Fe/VFe ordering into periodic one-dimensional motifs paving the layers, gaining insights into predictive crystahemistry of complex low dimensional oxides. When we increased the x values it led to a progressive change of the materials from 2D ferromagnets (Fe2+) to 2D ferrimagnets (Fe2/3+) to antiferromagnets for x = 2/3 (Fe3+).

  9. Massive photon properties in 3D photonic crystals, filled by dielectrics or metals

    Gorelik, V S

    2009-01-01

    The optical properties of 3D photonic crystals-artificial opals, consisting of monosized silica globules-have been investigated. The volume between globules was filled by various dielectrics or metals. The dispersion law of electromagnetic waves of this type of crystal has been obtained. It was shown that the sign of photonic mass in globular photonic crystals may be positive or negative for different points on dispersion curves. The value of the effective mass of photons depends on the refractive index of the substance infiltrated into the globular photonic crystal.

  10. Time temperature transformation diagram for secondary crystal products of Co-based Co-Fe-B-Si-Nb-Mn soft magnetic nanocomposite

    DeGeorge, V., E-mail: vdegeorge@cmu.edu; Zoghlin, E.; Keylin, V.; McHenry, M. [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States)

    2015-05-07

    Secondary crystallization is the subject of much investigation in magnetic amorphous and nanocomposites (MANCs) as it limits the long term and thermal stability of their operation in device applications, including power electronics, sensors, and electric motors. Secondary crystal products [Blazquez et al., Philos. Mag. Lett. 82(7), 409–417 (2002); Ohodnicki et al., Phys. Rev. B 78, 144414 (2008); Willard et al., Metall. Mater. Trans. A 38, 725 (2007)], nanostructure and crystallization kinetics [Hsiao et al., IEEE Trans. Magn. 38(5), 3039 (2002); McHenry et al., Scr. Mater. 48(7), 881 (2003)], and onset temperatures and activation energies [Ohodnicki et al., Acta. Mater. 57, 87 (2009); Long et al., J. Appl. Phys. 101, 09N114 (2007)] at constant heating have been reported for similar alloys. However, a time-temperature-transformation (TTT) diagram for isothermal crystallization, more typical of application environments, has not been reported in literature. Here, a TTT diagram for the Co based, Co-Fe-Si-Nb-B-Mn MANC system is presented, along with a method for determining such. The method accounts for the presence of primary crystal phases and yields crystal fraction of secondary phase(s) by using a novel four stage heating profile. The diagram, affirmed by Kissinger activation energy analysis, reports thermal stability of the MANC for millennia at conventional device operating temperatures, and stability limits less than a minute at elevated temperatures. Both extremes are necessary to be able to avoid secondary crystalline products and establish operating limits for this mechanically attractive, high induction soft magnetic nanocomposite.

  11. Discerning crystal growth from diffusion profiles in zoned olivine by in situ Mg–Fe isotopic analyses

    Sio, Corliss Kin I.; Dauphas, Nicolas; Teng, Fang-Zhen; Chaussidon, Marc; Helz, Rosalind T.; Roskosz, Mathieu

    2013-01-01

    Mineral zoning is used in diffusion-based geospeedometry to determine magmatic timescales. Progress in this field has been hampered by the challenge to discern mineral zoning produced by diffusion from concentration gradients inherited from crystal growth. A zoned olivine phenocryst from Kilauea Iki lava lake (Hawaii) was selected for this study to evaluate the potential of Mg and Fe isotopes for distinguishing these two processes. Microdrilling of the phenocryst (∼300 μm drill holes) followed by MC-ICPMS analysis of the powders revealed negatively coupled Mg and Fe isotopic fractionations (δ26Mg from +0.1‰ to −0.2‰ and δ56Fe from −1.2‰ to −0.2‰ from core to rim), which can only be explained by Mg–Fe exchange between melt and olivine. The data can be explained with ratios of diffusivities of Mg and Fe isotopes in olivine scaling as D2/D1 = (m1/m2)β with βMg ∼0.16 and βFe ∼0.27. LA-MC-ICPMS and MC-SIMS Fe isotopic measurements are developed and are demonstrated to yield accurate δ56Fe measurements within precisions of ∼0.2‰ (1 SD) at spatial resolutions of ∼50 μm. δ56Fe and δ26Mg stay constant with Fo# in the rim (late-stage overgrowth), whereas in the core (original phenocryst) δ56Fe steeply trends toward lighter compositions and δ26Mg trends toward heavier compositions with higher Fo#. A plot of δ56Fe vs. Fo# immediately distinguishes growth-controlled from diffusion-controlled zoning in these two regions. The results are consistent with the idea that large isotopic fractionation accompanies chemical diffusion in crystals, whereas fractional crystallization induces little or no isotopic fractionation. The cooling timescale inferred from the chemical-isotope zoning profiles is consistent with the documented cooling history of the lava lake. In the absence of geologic context, in situ stable isotopic measurements may now be used to interpret the nature of mineral zoning. Stable isotope measurements by LA-MC-ICPMS and MC

  12. Electronic, structural and magnetic studies of niobium borides of group 8 transition metals, Nb2MB2 (M=Fe, Ru, Os) from first principles calculations

    Touzani, Rachid St.; Fokwa, Boniface P.T.

    2014-01-01

    The Nb 2 FeB 2 phase (U 3 Si 2 -type, space group P4/mbm, no. 127) is known for almost 50 years, but until now its magnetic properties have not been investigated. While the synthesis of Nb 2 OsB 2 (space group P4/mnc, no. 128, a twofold superstructure of U 3 Si 2 -type) with distorted Nb-layers and Os 2 -dumbbells was recently achieved, “Nb 2 RuB 2 ” is still not synthesized and its crystal structure is yet to be revealed. Our first principles density functional theory (DFT) calculations have confirmed not only the experimental structures of Nb 2 FeB 2 and Nb 2 OsB 2 , but also predict “Nb 2 RuB 2 ” to crystalize with the Nb 2 OsB 2 structure type. According to chemical bonding analysis, the homoatomic B–B interactions are optimized and very strong, but relatively strong heteroatomic M–B, B–Nb and M–Nb bonds (M=Fe, Ru, Os) are also found. These interactions, which together build a three-dimensional network, are mainly responsible for the structural stability of these ternary borides. The density-of-states at the Fermi level predicts metallic behavior, as expected, from metal-rich borides. Analysis of possible magnetic structures concluded preferred antiferromagnetic ordering for Nb 2 FeB 2 , originating from ferromagnetic interactions within iron chains and antiferromagnetic exchange interactions between them. -- Graphical abstract: Nb 2 FeB 2 (U 3 Si 2 structure type, space group P4/mbm, no. 127) is predicted to order antiferromagnetically, due to the presence of iron chains which show ferromagnetic interactions in the chains and antiferromagnetic interactions between them. “Nb 2 RuB 2 ” is predicted to crystallize with the recently discovered Nb 2 OsB 2 twofold superstructure (space group P4/mnc, no. 128) of U 3 Si 2 structure type. The building of ruthenium dumbbells instead of chains along [001] is found to be responsible for the stabilization of this superstructure. Highlights: • Nb 2 FeB 2 is predicted to order antiferromagnetically.

  13. Growth, mechanical, and magnetic study of SmFeO{sub 3} single crystal grown by optical floating zone technique

    Babu, P. Ramesh [Centre for Crystal Growth, VIT University, Vellore, Tamil Nadu (India); Bhaumik, Indranil [Crystal Growth Laboratory, Laser Materials Development and Devices Division, RRCAT, Indore (India); Ganesamoorthy, S. [Material Science Group, IGCAR, Kalpakkam, Tamil Nadu (India); Kalainathan, S., E-mail: kalainathan@yahoo.com [Centre for Crystal Growth, VIT University, Vellore, Tamil Nadu (India); Bhatt, R.; Karnal, A.K.; Gupta, P.K. [Crystal Growth Laboratory, Laser Materials Development and Devices Division, RRCAT, Indore (India)

    2016-08-15

    Single crystals of Samarium orthoferrite (SmFeO{sub 3}) have been grown by the optical floating zone technique. The growth parameters to yield good quality crystals are 5 mm/h for pulling and 30–40 rpm for rotation. The mechanical behavior of the grown crystal has been investigated. Rosette pattern has been observed around the indentation and the microhardness has been found to decreases non-linearly with the applied load. For load higher than 1.96 N there is a transition from palmqvist to median crack due to plastic deformation of the crystal. The hardness parameters like fracture toughness, brittleness index, and yield strength have also been calculated for palmqvist and median cracks occurring on the crystal surface. The magnetic investigations revealed that a magnetic transition in the range of 300–180 K. Above 180 K, the magnetization decreases as Sm and Fe sublattices have opposite spins. At high temperature, two anomalies are observed, one due to near spin reorientation (T{sub SR} = 480 K) and the other is AFM to paramagnetic transitions (T{sub N} = 670 K). The M–H curves exhibit a shape change with temperature due to the emergence and enlargement of multi-domain state of the SmFeO{sub 3} crystals. Bloch parameter (3.28 × 10{sup −5} K{sup −3/2}) has also been evaluated. - Highlights: • SmFeO{sub 3} single crystals have been grown by OFZ technique in air. • The microhardness has been found to decreases non-linearly with the applied load. • At 472 K, spin reorientation occurs in Fe sublattice. • The M–H curves exhibit a shape change with temperature due to the emergence and enlargement of multi-domain state. • Bloch 3/2-law holds good for SmFeO{sub 3} (B-parameter as 3.28 × 10{sup −5} K{sup −3/2}).

  14. Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

    Gnutek, P; Rudowicz, C; Yang, Z Y

    2009-01-01

    The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g || and g perpendicular , are theoretically investigated for the Fe K 3+ -O I 2- center in KTaO 3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the Fe K 3+ -O I 2- defect center in KTaO 3 . This modeling reveals that the off-center displacement of the Fe 3+ ions, Δ 1 (Fe 3+ ), combined with an inward relaxation of the nearest oxygen ligands, Δ 2 (O 2- ), and the existence of the interstitial oxygen O I 2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the Fe K 3+ -O I 2- center in KTaO 3 . Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ 1 (Fe 3+ ) and Δ 2 (O 2- ) as well as the possible location of O I 2- ligands around Fe 3+ ions in KTaO 3 . The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g || and g perpendicular and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing

  15. Polymorphic crystallization of metal-metalloid-glasses above the glass transition temperature

    Koster, U.; Schunemann, U.; Stephenson, G.B.; Brauer, S.; Sutton, M.

    1992-01-01

    Crystallization of metal-metalloid glasses is known to proceed by nucleation and growth processes. Using crystallization statistics in partially crystallized glasses, at temperatures below the glass transition temperature, time-dependent heterogeneous nucleation has been found to occur at a number of quenched-in nucleation sites. Close to the glass transition temperature crystallization proceeds so rapidly that partially crystallized microstructures could not be obtained. Initial results form fully crystallized glasses exhibit evidence for a transient homogeneous nucleation process at higher temperatures. These conclusions are derived post mortem. At there may be some change of the microstructure after crystallization is finished or during he subsequent quenching, it is desirable to directly obtain information during the early stages of crystallization. Recently reported work by Sutton et al. showed that structural changes can be observed in situ during crystallization by time-resolved x-ray diffraction on time scales as short as milliseconds. The aim o the paper is to present the authors study of the crystallization behavior at temperatures near the glass transition by in-situ x-ray diffraction studies and by microstructural analysis after rapid heating experiments. The results are compared to those derived from a computer model of the crystallization process

  16. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  17. Origin of interfacial perpendicular magnetic anisotropy in MgO/CoFe/metallic capping layer structures.

    Peng, Shouzhong; Wang, Mengxing; Yang, Hongxin; Zeng, Lang; Nan, Jiang; Zhou, Jiaqi; Zhang, Youguang; Hallal, Ali; Chshiev, Mairbek; Wang, Kang L; Zhang, Qianfan; Zhao, Weisheng

    2015-12-11

    Spin-transfer-torque magnetic random access memory (STT-MRAM) attracts extensive attentions due to its non-volatility, high density and low power consumption. The core device in STT-MRAM is CoFeB/MgO-based magnetic tunnel junction (MTJ), which possesses a high tunnel magnetoresistance ratio as well as a large value of perpendicular magnetic anisotropy (PMA). It has been experimentally proven that a capping layer coating on CoFeB layer is essential to obtain a strong PMA. However, the physical mechanism of such effect remains unclear. In this paper, we investigate the origin of the PMA in MgO/CoFe/metallic capping layer structures by using a first-principles computation scheme. The trend of PMA variation with different capping materials agrees well with experimental results. We find that interfacial PMA in the three-layer structures comes from both the MgO/CoFe and CoFe/capping layer interfaces, which can be analyzed separately. Furthermore, the PMAs in the CoFe/capping layer interfaces are analyzed through resolving the magnetic anisotropy energy by layer and orbital. The variation of PMA with different capping materials is attributed to the different hybridizations of both d and p orbitals via spin-orbit coupling. This work can significantly benefit the research and development of nanoscale STT-MRAM.

  18. Transverse anisotropic magnetoresistance effects in pseudo-single-crystal γ′-Fe4N thin films

    Kazuki Kabara

    2016-05-01

    Full Text Available Transverse anisotropic magnetoresistance (AMR effects, for which magnetization is rotated in an orthogonal plane to the current direction, were investigated at various temperatures, in order to clarify the structural transformation from a cubic to a tetragonal symmetry in a pseudo-single-crystal Fe4N film, which is predicted from the usual in-plane AMR measurements by the theory taking into account the spin-orbit interaction and crystal field splitting of 3d bands. According to a phenomenological theory of AMR, which derives only from the crystal symmetry, a cos 2θ component ( C 2 tr exists in transverse AMR curves for a tetragonal system but does not for a cubic system. In the Fe4N film, the C 2 tr shows a positive small value (0.12% from 300 K to 50 K. However, the C 2 t r increases to negative value below 50 K and reaches to -2% at 5 K. The drastic increasing of the C 2 tr demonstrates the structural transformation from a cubic to a tetragonal symmetry below 50 K in the Fe4N film. In addition, the out-of-plane and in-plane lattice constants (c and a were precisely determined with X-ray diffraction at room temperature using the Nelson-Riely function. As a result, the positive small C 2 t r above 50 K is attributed to a slightly distorted Fe4N lattice (c/a = 1.002.

  19. Crystal and magnetic structures of CaCu3Fe4O12 and LaCu3Fe4O12: distinct charge transitions of unusual high valence Fe

    Shimakawa, Yuichi

    2015-01-01

    New 134-type perovskites, CaCu 3 Fe 4 O 12 (CCFO) and LaCu 3 Fe 4 O 12 (LCFO), were prepared by means of high-pressure synthesis. The compounds contain unusual high valence Fe 4+ in CCFO and Fe 3.75+ in LCFO at high temperatures. With decreasing temperature, the instabilities of the high valence states of Fe are relieved by distinct charge transitions, which are charge disproportionation (4Fe 4+   →  2Fe 3+   +  2Fe 5+ ) in CCFO and intermetallic charge transfer (3Cu 2+   +  4Fe 3.75+   →  3Cu 3+   +  4Fe 3+ ) in LCFO. Crystal structure analysis with synchrotron x-ray diffraction and magnetic structure analysis with neutron diffraction revealed the nature of the transitions. Although the two behaviors look completely different from each other in simple ionic models, they can both be explained by the localization of ligand holes, which are produced by the strong hybridization of low-lying Fe-d and oxygen p orbitals in the oxides. The ligand holes in the charge disproportionated CCFO are localized at the Fe–O sites alternately (4d 5 L  →  2d 5   +  2d 5 L 2 ) and the ligand holes in the charge transferred LCFO are localized at the Cu–O sites (3d 9   +  4d 5 L 0.75   →  3d 9 L  +  4d 5 ). (review)

  20. The Role of Surface Tension in the Crystallization of Metal Halide Perovskites

    Zhumekenov, Ayan A.

    2017-07-06

    The exciting intrinsic properties discovered in single crystals of metal halide perovskites still await their translation into optoelectronic devices. The poor understanding and control of the crystallization process of these materials are current bottlenecks retarding the shift towards single crystal-based optoelectronics. Here we theoretically and experimentally elucidate the role of surface tension in the rapid synthesis of perovskite single crystals by inverse temperature crystallization (ITC). Understanding the nucleation and growth mechanisms enabled us to exploit surface tension to direct the growth of monocrystalline films of perovskites (AMX3, where A = CH3NH3+ or MA; M = Pb2+, Sn2+; X = Br-, I-) on the solution surface. We achieve up to 1 cm2-sized monocrystalline films with thickness on the order of the charge carrier diffusion length (~5-10 µm). Our work paves the way to control the crystallization process of perovskites, including thin film deposition, which is essential to advance the performance benchmarks of perovskite optoelectronics.

  1. The interface of the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2

    Nazir, S.; Schwingenschlö gl, Udo

    2010-01-01

    semiconductor shows a metallic character. The CoS2 stays close to half-metallicity at the interface, while the FeS2 becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment

  2. Role of temperature-dependent O-p-Fe-d hybridization parameter in the metal-insulator transition of Fe3O4: a theoretical study

    Fauzi, A. D.; Majidi, M. A.; Rusydi, A.

    2017-04-01

    We propose a simple tight-binding based model for Fe3O4 that captures the preference of ferrimagnetic over ferromagnetic spin configuration of the system. Our model is consistent with previous theoretical and experimental studies suggesting that the system is half metallic, in which spin polarized electrons hop only among the Fe B sites. To address the metal-insulator transition (MIT) we propose that the strong correlation among electrons, which may also be influenced by the electron-phonon interactions, manifest as the temperature-dependence of the O-p-Fe-d hybridization parameter, particularly Fe-d belonging to one of the Fe B sites (denoted as {t}{{FeB}-{{O}}}(2)). By proposing that this parameter increases as the temperature decreases, our density-of-states calculation successfully captures a gap opening at the Fermi level, transforming the system from half metal to insulator. Within this model along with the corresponding choice of parameters and a certain profile of the temperature dependence of {t}{{FeB}-{{O}}}(2), we calculate the resistivity of the system as a function of temperature. Our calculation result reveals the drastic uprising trend of the resistivity profile as the temperature decreases, with the MIT transition temperature located around 100 K, which is in agreement with experimental data.

  3. Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+)).

    Lovell, Timothy; Torres, Rhonda A; Han, Wen-Ge; Liu, Tiqing; Case, David A; Noodleman, Louis

    2002-11-04

    The unifying view that molybdenum is the essential component in nitrogenase has changed over the past few years with the discovery of a vanadium-containing nitrogenase and an iron-only nitrogenase. The principal question that has arisen for the alternative nitrogenases concerns the structures of their corresponding cofactors and their metal-ion valence assignments and whether there are significant differences with that of the more widely known molybdenum-iron cofactor (FeMoco). Spin-polarized broken-symmetry (BS) density functional theory (DFT) calculations are used to assess which of the two possible metal-ion valence assignments (4Fe(2+)4Fe(3+) or 6Fe(2+)2Fe(3+)) for the iron-only cofactor (FeFeco) best represents the resting state. For the 6Fe(2+)2Fe(3+) oxidation state, the spin coupling pattern for several spin state alignments compatible with S = 0 were generated and assessed by energy criteria. The most likely BS spin state is composed of a 4Fe cluster with spin S(a) = (7)/(2) antiferromagnetically coupled to a 4Fe' cluster with spin S(b) = (7)/(2). This state has the lowest DFT energy for the isolated FeFeco cluster and displays calculated Mössbauer isomer shifts consistent with experiment. Although the S = 0 resting state of FeFeco has recently been proposed to have metal-ion valencies of 4Fe(2+)4Fe(3+) (derived from experimental Mössbauer isomer shifts), our isomer shift calculations for the 4Fe(2+)4Fe(3+) oxidation state are in poorer agreement with experiment. Using the Mo(4+)6Fe(2+)Fe(3+) oxidation level of the cofactor as a starting point, the structural consequences of replacement of molybdenum (Mo(4+)) with vanadium (V(3+)) or iron (Fe(3+)) in the cofactor have been investigated. The size of the cofactor cluster shows a dependency on the nature of the heterometal and increases in the order FeMoco < FeVco < FeFeco.

  4. Crystal growth of Sm0.3Tb0.7FeO3 and spin reorientation transition in Sm1−xTbxFeO3 orthoferrite

    Wu, Anhua; Wang, Bo; Zhao, Xiangyang; Xie, Tao; Man, Peiwen; Su, Liangbi; Kalashnikova, A.M.; Pisarev, R.V.

    2017-01-01

    In this work, Sm 0.3 Tb 0.7 FeO 3 single crystal was successfully grown by optical floating zone method. Sm 0.3 Tb 0.7 FeO 3 samples with a-, b-, and c-orientation were manufactured by means of Laue photograph. Magnetic properties of Sm 0.3 Tb 0.7 FeO 3 single crystals are studied over a wide temperature range from 2 to 400 K. Spin reorientation transition from Γ 2 to Γ 4 are observed by means of the temperature dependence of magnetization It indicated the reorientation transition temperature of Sm 1−x Tb x FeO 3 single crystals is lowered with the contents of Tb contents rising based on this work and our previous works, thus the spin reorientation transition temperature can be adjusted through changing the compound in orthoferrites materials, which means that we can get orthoferrites single crystals with high magnetism property in various temperature through material design. - Highlights: • Sm 0.3 Tb 0.7 FeO 3 single crystals with various compounds were successfully grown by optical floating zone method. • The relation between SRT temperature and composition in Sm 1−x Tb x FeO 3 orthoferrite was indicated. • The spin reorientation transition temperature of Sm 1−x Tb x FeO 3 single crystals can be adjusted through changing the compound in orthoferrites materials.

  5. Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

    Miglierini, M.; Nasu, Saburo; Skorvanek, I.; Sitek, J.

    1992-01-01

    Transmission 57 Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of γ-ray spectroscopy. (author)

  6. Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

    Miglierini, M.; Nasu, Saburo (Osaka Univ., Toyonaka (Japan). Faculty of Science); Skorvanek, I.; Sitek, J.

    1992-04-01

    Transmission {sup 57}Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of {gamma}-ray spectroscopy. (author).

  7. Features of Magnetorefractive Effect in a [CoFe/Cu] n Multilayer Metallic Nanostructure

    Yurasov, A. N.; Telegin, A. V.; Bannikova, N. S.; Milyaev, M. A.; Sukhorukov, Yu. P.

    2018-02-01

    The features of magnetorefractive effect (MRE) in metallic multilayer film Ni48Fe12Cr40(50 Å)/[Co90Fe10(14 Å)/Cu(22 Å)]8/Cr(20 Å) nanostructures, which exhibit giant magnetoresistance at room temperature, are investigated experimentally and theoretically. We show that the MRE in these structures reaches 1.5% in an applied magnetic field of 3.5 kOe, in a broad part of the IR region, and can change sign for both transmission and reflection of light. The refraction and extinction coefficients that are calculated for the nanostructures in an external magnetic field are in good agreement with our experimental data. The deduced formulas can be applied to estimating the MRE in multilayer metallic nanostructures.

  8. An insight into the metal coordination and spectroscopic properties of artistic Fe and Fe/Cu logwood inks

    Bronzato, Maddalena; Zoleo, Alfonso; Biondi, Barbara; Centeno, Silvia A.

    2016-01-01

    Fe- and Fe/Cu-based logwood inks were synthesized following recipes in nineteenth and early twentieth century manuals and were characterized by EPR, ESI-MS, FTIR, and Raman spectroscopies. This multi-technique approach allowed us to shed light on the structures of the complexes responsible for the inks' colors and to obtain vibrational signatures that can be used to identify the different inks in works of art and in historic documents. Information on the nature and chemical properties of the complexes formed between a dye and a mordant is important as these determine, at least in part, their lightfastness. EPR permitted to determine the coordination environment of the metallic ions. The results of the ESI-MS analysis demonstrated, for the first time, the breakdown of the hematein molecule during the ink preparation, and that the colorants are formed by the complexation of the metallic ions by hematein breakdown products, mainly catechol and/or bicyclic compounds. The FTIR spectra obtained were found to be dominated by bands due to the binding medium and sulfates used as reagents. The Raman analysis showed that the characteristic features for the different inks studied depend on the historic recipe used, attesting to the challenges that their identification and characterization in works of art present. In the Raman spectra of the inks applied on paper, broadening of bands in the 750-400 cm- 1 range are observed when compared to the spectra of the inks' powders, possibly due to the interaction of the compounds with the cellulose in the substrate.

  9. Chemical probes of metal cluster structure--Fe, Co, Ni, and Cu

    Parks, E.K.; Zhu, L.; Ho, J.; Riley, S.J.

    1992-01-01

    Chemical reactivity is one of the few methods currently available for investigating the geometrical structure of isolated transition metal clusters. In this paper we summarize what is currently known about the structures of clusters of four transition metals, Fe, Co, Ni, and Cu, in the size range from 13 to 180 atoms. Chemical probes used to determine structural information include reactions with H 2 (D 2 ), H 2 0, NH 3 and N 2 . Measurements at both low coverage and at saturation are discussed

  10. Effects of Fe plaque and organic acids on metal uptake by wetland plants under drained and waterlogged conditions.

    Li, W C; Deng, H; Wong, M H

    2017-12-01

    This study aims to assess the role of Fe plaque in metal uptake and translocation by different wetland plants and examine the effects of organic acids on metal detoxification in wetland plants. It was found that although exposed to a similar level of metals in rhizosphere soil solution, metal uptake by shoots of Cypercus flabelliformis and Panicum paludosum was greatly reduced, consequently leading to a better growth under flooded than under drained conditions. This may be related to the enhanced Fe plaque in the former, but due to the decreased root permeability in the latter under anoxic conditions. The Fe plaque on root surface has potential to sequester metals and then reduce metal concentrations and translocation in shoot tissues. However, whether the Fe plaque acts as a barrier to metal uptake and translocation may also be dependent on the root anatomy. Although metal tolerance in wetland plants mainly depends upon their metal exclusion ability, the higher-than-toxic-level of metal concentrations in some species indicates that internal metal detoxification might also exist. It was suggested that malic or citric acid in shoots of P. paludosum and C. flabelliformis may account for their internal detoxification for Zn. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Preparation and crystallization of hollow α-Fe2O3 microspheres following the gas-bubble template method

    Valladares, L. de los Santos; León Félix, L.; Espinoza Suarez, S.M.; Bustamante Dominguez, A.G.; Mitrelias, T.; Holmes, S.; Moreno, N.O.; Albino Aguiar, J.; Barnes, C.H.W.

    2016-01-01

    In this work we report the formation of hollow α-Fe 2 O 3 (hematite) microspheres by the gas-bubble template method. This technique is simple and it does not require hard templates, surfactants, special conditions of atmosphere or complex steps. After reacting Fe(NO 3 ) 3 .9H 2 O and citric acid in water by sol–gel, the precursor was annealed in air at different temperatures between 180 and 600 °C. Annealing at 550 and 600 °C generates bubbles on the melt which crystallize and oxidizes to form hematite hollow spheres after quenching. The morphology and crystal evolution are studied by means of X-ray diffraction and scanning electron microscopy. We found that after annealing at 250–400 °C, the sample consist of a mixture of magnetite, maghemite and hematite. Single hematite phase in the form of hollow microspheres is obtained after annealing at 550 and 600 °C. The crystallization and crystal size of the hematite shells increase with annealing temperature. A possible mechanism for hollow sphere formation is presented. - Highlights: • Formation of hollow hematite microspheres by the gas-bubble template method. • This technique does not require hard templates or special conditions of atmosphere. • Annealing promotes the transition magnetite to maghemite to hematite. • Crystallization of the hematite shells increase with annealing temperature.

  12. Impacts of Co-doping on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystal studied by the electrical transport.

    Urata, Takahiro; Tanabe, Yoichi; Heguri, Satoshi; Tanigaki, Katsumi

    2015-03-01

    In the FeSe with the simplest crystal structure in the Fe-based superconductor families, although both the superconductivity and the orbital ordering states are investigated, the relation between them is still unclear. Here, we report Co doping effects on the superconductivity and the orbital ordering state in Fe1-xCoxSe single crystals. The electrical transport measurements demonstrated that the superconductivity vanishes at 4 % Co doping while the orbital ordering state may be robust against Co doping. Present results suggest that the orbital ordering state is not related to the emergence of the superconductivity in FeSe.

  13. Environmental embrittlement of intermetallic compounds in Fe-Al alloys

    张建民; 张瑞林; S.H.YU; 余瑞璜

    1996-01-01

    First,it is proposed that hydrogen atoms occupy the interstitial sites in Fe3Al and FeAl.Then the environmental embrittlement of intermetallic compounds in Fe-Al alloys is studied in the light of calculated valence electron structures and bond energy of Fe3Al and FeAl containing hydrogen atoms.From the analyses it is found that the states of metal atoms will change,in which more lattice electrons will become covalent electrons to bond with hydrogen atoms when the atomic hydrogen diffuses into the intermetallic compounds in Fe-Al alloys,which will result in the decrease of local metallicity in Fe3Al and FeAl.Meanwhile,it is found that the crystal will easily cleave since solute hydrogen bonds with metal atoms and severely anisotropic bonds form.As a conclusion,these factors result in the environmental embrittlement of Fe3Al and FeAl.

  14. Photonic crystal fiber injected with Fe{sub 3}O{sub 4} nanofluid for magnetic field detection

    Thakur, Harneet V.; Nalawade, Sandipan M.; Gupta, Swati [Photonics Group, Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411 025 (India); Kitture, Rohini [Department of Electronic-Science, Fergusson College, Pune 411 004 (India); Kale, S. N. [Nanotechnology Group, Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411 025 (India)

    2011-10-17

    We report a magnetic field sensor having advantages of both photonic crystal fiber and optofluidics, combining them on a single platform by infiltrating small amount of Fe{sub 3}O{sub 4} magnetic optofluid/nanofluid in cladding holes of polarization-maintaining photonic crystal fiber. We demonstrated that magnetic field of few mT can be easily and very well detected with higher sensitivity of 242 pm/mT. The change in the birefringence values has been correlated to the response of nanofluid to applied field.

  15. Exploring the Photovoltaic Properties of Metal Bipyridine Complexes (Metal = Fe, Zn, Cr, and Ru) by Density Functional Theory

    Irfan, Ahmad; Abbas, Ghulam

    2018-03-01

    The synthesis and characterisation of mononuclear Fe complexes were carried out by using bipyridine (Compound 1) at ambient conditions. Additionally, three more derivatives were designed by substituting the central Fe metal with Zn, Cr, and Ru (Compound 2, Compound 3, and Compound 4), respectively. The ground state geometry calculations were carried out by using density functional theory (DFT) at B3LYP/6-31G** (LANL2DZ) level of theory. We shed light on the frontier molecular orbitals, electronic properties, photovoltaic parameters, and structure-property relationship. The open-circuit voltage is a promising parameter that considerably affects the photovoltaic performance; thus, we have estimated its value by considering the complexes as donors whereas TiO2 and/or Si were used as acceptors. The solar cell performance behaviour was also studied by shedding light on the band alignment and energy level offset.

  16. High-pressure metallization of FeO and implications for the earth's core

    Knittle, Elise; Jeanloz, Raymond

    1986-01-01

    The phase diagram of FeO has been experimentally determined to pressures of 155 GPa and temperatures of 4000 K using shock-wave and diamond-cell techniques. A metallic phase of FeO is observed at pressures greater than 70 GPa and temperatures exceeding 1000 K. The metallization of FeO at high pressures implies that oxygen can be present as the light alloying element of the earth's outer core, in accord with the geochemical predictions of Ringwood (1977 and 1979). The high pressures necessary for this metallization suggest that the core has acquired its composition well after the initial stages of the earth's accretion. Direct experimental observations at elevated pressures and temperatures indicate that core-forming alloy can react chemically with oxides such as those forming the mantle. The core and mantle may never have reached complete chemical equilibrium, however. If this is the case, the core-mantle boundary is likely to be a zone of active chemical reactions.

  17. Metallic Na formation in NaCl crystals with irradiation of electron or vacuum ultraviolet photon

    Owaki, Shigehiro [Osaka Prefecture Univ., Sakai, Osaka (Japan). Coll. of Integrated Arts and Sciences; Koyama, Shigeko; Takahashi, Masao; Kamada, Masao; Suzuki, Ryouichi

    1997-03-01

    Metallic Na was formed in NaCl single crystals with irradiation of a variety of radiation sources and analyzed the physical states with several methods. In the case of irradiation of 21 MeV electron pulses to the crystal blocks, the optical absorption and lifetime measurement of positron annihilation indicated appearance of Na clusters inside. Radiation effects of electron beam of 30 keV to the crystals in vacuum showed the appearance of not only metallic Na but atomic one during irradiation with Auger electron spectroscopy. Intense photon fluxes in vacuum ultraviolet region of synchrotron radiation were used as another source and an analyzing method of ultraviolet photoelectron spectroscopy. The results showed the metallic Na layered so thick that bulk plasmon can exist. (author)

  18. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solute....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  19. Superconducting, magnetic and magnetotransport properties of FeTe1-xSex single crystals

    Kumar, Rohit; Sudesh, Varma, G. D.

    2018-05-01

    The single crystalline samples with compositions FeTe1-xSex (0.25 ≤ x ≤ 0.50) have been prepared via self-flux method and the superconducting, magnetic and magnetotransport properties of the grown crystals were investigated. The superconducting onset temperatures have been determined from the measurements of zero field cooled magnetization and resistance with temperatures. In the present case, highest superconducting transition temperature TC (onset) ˜ 15 K has been obtained for x=0.5. The HC2 (T=0 K) values have been estimated by fitting the experimental HC2 - T plots with WHH model. The highest HC2(0) has been obtained for x=0.5. The activation energy of the thermally activated flux flow has been found from the broadening of superconducting transition in an applied magnetic field using the Arrhenius law. Our results show that the activation energy (U0) decreases with the increasing magnetic field. Furthermore, the magnetization measurements for x=0.4 and 0.5 samples have been performed at T=5 K in the magnetic field range ±7 T to estimate critical current density at different applied magnetic fields using Bean formula. We see that the sample x=0.5 has higher values of JC as compared to that of x=0.4 at all magnetic fields. This is in conformity with the behavior of U0-H plots.

  20. The influence of Si on the superconducting properties of LiFeAs single crystals

    Shlyk, L; Bischoff, M; Niewa, R

    2012-01-01

    The results of Si doping on the superconducting transition temperature, critical current density, irreversibility field, upper critical field, coherence length and magnetic relaxation of LiFeAs single crystals are reported for H ∥ c. The superconducting transition temperature of the Si doped sample decreases by about of 6.4 K/at.%, which is likely due to the pair breaking effect. The presence of a secondary high-field fishtail maximum, which shifts progressively with temperature, is associated with the extrinsic pinning centers created by Si. The increase of the critical current densities in intermediate magnetic fields of about three times as compared to our undoped material indicates that very small amounts of Si act as effective pinning sites for the flux pinning enhancement in the material. Pinning force curves measured at different temperatures obey a normalized form of Kramer’s law, which indicates that the critical current density is limited by one predominant flux pinning mechanism. Analysis of the temperature and field dependences of the magnetic relaxation is consistent with the collective pinning model. The magnetic relaxation measurements combined with the peak position of the critical current density in the B–T phase diagram suggest an elastic–plastic transition of the vortex lattice at higher temperatures and fields. (paper)

  1. Research Update: Structural and transport properties of (Ca,La)FeAs{sub 2} single crystal

    Caglieris, F.; Pallecchi, I.; Lamura, G.; Putti, M. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Sala, A. [CNR-SPIN and Università di Genova, Via Dodecaneso 33, I-16146 Genova (Italy); Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Fujioka, M. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Hokkaido University, Sapporo, Hokkaido 001-0020 (Japan); Hummel, F.; Johrendt, D. [Ludwig-Maximilians-Universität München, Department Chemie, Butenandtstr. 5-13, 81377 München (Germany); Takano, Y. [National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0047 (Japan); Ishida, S.; Iyo, A.; Eisaki, H. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565 (Japan); Ogino, H.; Yakita, H. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Shimoyama, J. [Department of Applied Chemistry, The University of Tokyo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics and Mathematics, Aoyama Gakuin University, 5-10-1 Fuchinobe, Chuo-ku, Sagamihara 252-5258 (Japan)

    2016-02-01

    Structural and transport properties in the normal and superconducting states are investigated in a Ca{sub 0.8}La{sub 0.2}FeAs{sub 2} single crystal with T{sub c} = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J{sub c} for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J{sub c}(B = 0) ∼ 10{sup 5} A/cm{sup 2}. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.

  2. Creep of crystals: High-temperature deformation processes in metals, ceramics and minerals

    Poirier, J. P.

    An introductory text describing high-temperature deformation processes in metals, ceramics, and minerals is presented. Among the specific topics discussed are: the mechanical aspects of crystal deformation; lattice defects; and phenomenological and thermodynamical analysis of quasi-steady-state creep. Consideration is also given to: dislocation creep models; the effect of hydrostatic pressure on deformation; creep polygonization; and dynamic recrystallization. The status of experimental techniques for the study of transformation plasticity in crystals is also discussed.

  3. Effect of crystallization condition on the Microwave properties of Fe-based amorphous alloy flakes and polymer composites

    Moon, Byoung-Gi [Department of Advanced Metallic Materials, Korea Institute of Materials Science, 531 Changwondaero, Changwon, Kyungnam (Korea, Republic of); Hong, Soon-Ho; Sohn, Keun Yong; Park, Won-Wook [School of Nano Engineering, Inje University, 607 Obang-dong, Kimhae, Kyungnam (Korea, Republic of); Kwon, Sang-Kyun; Song, Yong-Sul [Amosense Co., 185-1 Sucham-ri, Tongjin-myun, Gimposi, Kyungkido (Korea, Republic of); Lee, Taek-Dong, E-mail: bgmoon@kims.re.k [Department of Materials Science and Engineering, Korea Insititute of Science and Technology, 373-1 Guseong-dong, Yuseong-gu, Daejeon (Korea, Republic of)

    2009-01-01

    The electromagnetic (EM) wave absorption properties with a variation of crystallization temperature have been investigated in a sheet-type absorber made of the amorphous Fe{sub 73}Si{sub 16}B{sub 7}Nb{sub 3}Cu{sub 1}Finemet powder. With the variation of the annealing temperature, the magnetic and dielectric properties of the crystallized Fe-based absorber with a nano-structure were changed. The complex permittivity increased with increasing the annealing temperature, whereas the complex permeability was maximized after annealing at 530 deg. C for 1 hour. The absolute value of the reflection parameter, |S{sub 11}|, increased with increasing annealing temperature of the nanocrystalline alloy powder. On the contrary, the transmission one, |S{sub 21}|, showed the highest value after annealing at 530 deg. C for 1 hour, which is regarded as the optimum temperature for the improvement of EM wave absorption properties.

  4. Temperature dependence of Kerr coefficient and quadratic polarized optical coefficient of a paraelectric Mn:Fe:KTN crystal

    Qieni Lu

    2015-08-01

    Full Text Available We measure temperature dependence on Kerr coefficient and quadratic polarized optical coefficient of a paraelectric Mn:Fe:KTN crystal simultaneously in this work, based on digital holographic interferometry (DHI. And the spatial distribution of the field-induced refractive index change can also be visualized and estimated by numerically retrieving sequential phase maps of Mn:Fe:KTN crystal from recording digital holograms in different states. The refractive indices decrease with increasing temperature and quadratic polarized optical coefficient is insensitive to temperature. The experimental results suggest that the DHI method presented here is highly applicable in both visualizing the temporal and spatial behavior of the internal electric field and accurately measuring electro-optic coefficient for electrooptical media.

  5. Large rotating field entropy change in ErFeO3 single crystal with angular distribution contribution

    Huang, Ruoxiang; Cao, Shixun; Ren, Wei; Zhan, Sheng; Kang, Baojuan; Zhang, Jincang

    2013-10-01

    We report the rotating field entropy of ErFeO3 single-crystal in a temperature range of 3-40 K. The giant magnetic entropy change, ΔSM = -20.7 J/(kg K), and the refrigerant capacity, RC = 273.5 J/kg, are observed near T =6 K. The anisotropic constants at 6 K, K1 = 1.24× 103 J/kg, K2 = 0.74 × 103 J/kg, in the bc plane are obtained. By considering the magnetocrystalline anisotropy and Fermi-Dirac angular distribution along the orientation of spontaneous magnetization, the experimental results can be well simulated. Our present work demonstrates that ErFeO3 crystal may find practical use for low temperature anisotropic magnetic refrigeration.

  6. MWCNTs/metal (Ni, Co, Fe) oxide nanocomposite as potential material for supercapacitors application in acidic and neutral media

    Adekunle, AS

    2013-05-01

    Full Text Available Supercapacitive properties of synthesised metal oxides nanoparticles (MO where M = Ni, Co, Fe) integrated with multi-wall carbon nanotubes (MWCNT) on basal plane pyrolytic graphite electrode (BPPGE) were investigated. Successful modification...

  7. First Simultaneous and Common-Volume Lidar Observations of Na and Fe Metals, Temperatures, and Vertical Winds in Antarctica

    Chu, X.

    2017-12-01

    A new STAR Na Doppler lidar will be installed to Arrival Heights near McMurdo Station, Antarctica in October 2017. This new lidar will be operated next to an existing Fe Boltzmann lidar to make simultaneous and common-volume measurements of metal Na and Fe layers, neutral temperatures, and vertical winds in the mesosphere and thermosphere, up to nearly 200 km. These measurements will be used to study a variety of science topics, e.g., the meteoric metal layers, wave dynamics, polar mesospheric clouds, constituent and heat fluxes, and cosmic dust. The discoveries of thermospheric neutral Fe layers and persistent gravity waves by the Fe Boltzmann lidar observations has opened a new door to explore the space-atmosphere interactions with ground-based instruments, especially in the least understood but crucially important altitude range of 100-200 km. These neutral metal layers provide excellent tracers for modern resonance lidars to measure the neutral wind and temperature directly. Even more exciting, the neutral metal layers in the thermosphere provide a natural laboratory to test our fundamental understandings of the atmosphere-ionosphere-magnetosphere coupling and processes. This paper will report the first summer results from the simultaneous Na and Fe lidar observations from Antarctica, and highlight important discoveries made by the Fe lidar during its first seven years of campaign at McMurdo. A thermosphere-ionosphere Fe/Fe+ (TIFe) model will be introduced to explain the TIFe layers in Antarctica.

  8. Neutron polarizing Fe-Al supermirror on a Si crystal substrate and its applications for thermal and cold neutrons

    Syromyatnikov, V.G.; Shchebetov, A.F.; Soroko, Z.N.

    1994-01-01

    Experimental data are presented for an Fe-Al neutron polarizing supermirror on a Si crystal substrate with an antireflecting Cd layer. The polarizing efficiency of this supermirror is P≥qslant0.8 for the range of glancing angles θ/λ=0.25-1.7 /nm and P≥qslant0.95 for θ/λ=0.34-1.7 /nm. Some applications of this supermirror for thermal and cold neutrons are considered. ((orig.))

  9. Artificial crystals with 3d metal and palladium particles subjected to high-temperature heat treatment

    Rinkevich, A. B.; Nemytova, O. V.; Perov, D. V.; Samoylovich, M. I.; Kuznetsov, E. A.

    2018-04-01

    High-temperature heat treatment has valuable impact on the structure and physical properties of artificial crystals with 3d metal and palladium particles. Artificial crystals are obtained by means of introduction of particles into the interspherical voids of opal matrices. The magnetic properties are studied at the temperatures ranging from 2 to 300 K and in fields up to 350 kOe. Microwave properties are investigated in the millimeter frequency range. The complex dielectric permittivity of several nanocomposites is measured. The influence of heat treatment up to 960 °C on the structure of artificial crystals is clarified.

  10. Combined effects of ultrasonic vibration and manganese on Fe-containing inter-metallic compounds and mechanical properties of Al-17Si alloy with 3wt.%Fe

    Lin Chong

    2013-05-01

    Full Text Available The research studied the combined effects of ultrasonic vibration (USV and manganese on the Fe-containing inter-metallic compounds and mechanical properties of Al-17Si-3Fe-2Cu-1Ni (wt.% alloys. The results showed that, without USV, the alloys with 0.4wt.% Mn or 0.8wt.% Mn both contain a large amount of coarse plate-like δ-Al4(Fe,MnSi2 phase and long needle-like β-Al5(Fe,MnSi phase. When the Mn content changes from 0.4wt.% to 0.8wt.% in the alloys, the amount and the length of needle-like β-Al5(Fe,MnSi phase decrease and the plate-like δ-Al4(Fe,MnSi2 phase becomes much coarser. After USV treatment, the Fe-containing compounds in the alloys are refined and exist mainly as δ-Al4(Fe,MnSi2 particles with an average grain size of about 20 μm, and only a small amount of β-Al5(Fe,MnSi phase remains. With USV treatment, the ultimate tensile strengths (UTS of the alloys containing 0.4wt.%Mn and 0.8wt.%Mn at room temperature are 253 MPa and 262 MPa, respectively, and the ultimate tensile strengths at 350 °C are 129 MPa and 135 MPa, respectively. It is considered that the modified morphology and uniform distribution of the Fe-containing inter-metallic compounds, which are caused by the USV process, are the main reasons for the increase in the tensile strength of these two alloys.

  11. Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

    Yiu, Yuen; Le, Manh Duc; Toft-Peterson, Rasmus; Ehlers, Georg; McQueeney, Robert J.; Vaknin, David

    2017-03-01

    We report on the spin waves and crystal field excitations in single crystal LiFePO4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below TN=50 K that are nearly dispersionless and are most intense around magnetic zone centers. We show that these excitations correspond to transitions between thermally occupied excited states of Fe2 + due to splitting of the S =2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above TN, magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and TN. By applying the MF-RPA model to a number of existing spin-wave results from other Li M PO4 (M =Mn , Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

  12. Crystallization and atomic diffusion behavior of high coercive Ta/Nd-Fe-B/Ta-based permanent magnetic thin film

    Tian, Na; Zhang, Xiao; You, Caiyin; Fu, Huarui [Xi' an University of Technology, School of Materials Science and Engineering, Xi' an (China); Shen, Qianlong [Logistics University of People' s Armed Police Force, Tianjin (China)

    2017-06-15

    A high coercivity of about 20.4 kOe was obtained through post-annealing the sputtered Ta/Nd-Fe-B/Ta-based permanent magnetic thin films. Transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) analyses were performed to investigate the crystallization and atomic diffusion behaviors during post-annealing. The results show that the buffer and capping Ta layers prefered to intermix with Fe and B atoms, and Nd tends to be combined with O atoms. The preferred atomic combination caused the appearance of the soft magnetic phase of Fe-Ta-B, resulting in a kink of the second quadratic magnetic hysteresis loop. The preferred atomic diffusion and phase formation of the thin films were well explained in terms of the formation enthalpy of the various compounds. (orig.)

  13. Hydrothermal synthesis and crystal structure of CsFe23(HPO4)2(PO4)(H2O)

    Anisimova, N.Yu.; Ilyukhin, A.B.; Chudinova, N.N.; Serafin, M.

    2001-01-01

    The double acid iron-cesium orthophosphate CsFe 2 3 (HPO 4 ) 2 (PO 4 )(H 2 O) was prepared by hydrothermal synthesis (from the Fe 2 O 3 , Cs 2 CO 3 and H 3 PO 4 mixture at 290 Deg C during 1 h following by cooling to 25 Deg C). Its crystal structure (a = 5.021(3), b = 15.80(1), c = 13.646(8), β 94.49(4) Deg, sp. gr. P2 1 /n, Z = 4) was analyzed by X-ray diffraction. The structure is formed by the orthophosphate tetrahedrons and the FeO 6 octahedrons, the water molecule is coordinated by the iron atom [ru

  14. First order magnetic transition in single crystal CaFe2As2 detected by 75As NMR

    Baek, Seung Ho [Los Alamos National Laboratory; Curro, Nicholas J [UC - DAVIS

    2008-01-01

    We report {sup 75}As Nuclear Magnetic Resonance data in a single crystal of CaFe{sub 2}As{sub 2}. The Knight shift, the electric field gradient, and the spin lattice relaxation rate are strongly temperature dependent in the paramagnetic state, and change discontinuously at the structural transition temperature, T{sub S} = T{sub N} = 167 K. Immediately below, the NMR spectra reveal an internal field at the As site associated with the presence of a commensurate magnetic order. These results indicate that the structural and magnetic transitions in CaFe{sub 2}As{sub 2} are first order and strongly coupled, and that the electron density in the FeAs plane is highly sensitive to the out-of-plane structure.

  15. Optimization of Sintering Time and Holding Time for 3D Printing of Fe-Based Metallic Glasses

    Wenzheng Wu

    2018-06-01

    Full Text Available Fe-based metallic glasses are amorphous alloys with high strength, high hardness, and excellent corrosion resistance; however, the immaturity of processing methods has prevented their wide application in industrial production. Fe-based metallic glass parts were manufactured employing pneumatic injection additive manufacturing in this study. An evenly dispersed and stable Fe-based metallic glass powder slurry with a solids content of 50% was prepared firstly. Then the Fe-based metallic glass parts were printed. The printed parts were dried, debinded, and sintered for strengthening. The deformations of the printed parts and sintered parts relative to the original model were then analyzed by a 3D scanning reconstruction method. The slightly average bulging and sunken deformation of the printed parts and sintered parts confirmed the good printing accuracy of the pneumatic injection manufacture system. The effects of the sintering temperature and holding time on the properties of the sintered parts were studied. For a sintering temperature of 580 °C and holding time of 1 h, the surface quality of the sintered parts was better. The sintering of 3D-printed Fe-based metallic glass parts was preliminarily realized in this study, and the feasibility of preparing Fe-based metallic glass using pneumatic injection additive manufacture was verified.

  16. Impact of biogenic nanoscale metals Fe, Cu, Zn and Se on reproductive LV chickens

    Nguyen, Quy Khiem; Nguyen, Van Kien; Nguyen, Khac Thinh; Nguyen, Duy Dieu; Nguyen, Hoai Chau; Tran, Xuan Tin; Nguyen, Huu Cuong; Phung, Duc Tien

    2015-01-01

    Using biogenic nanoscale metals (Fe, Cu, ZnO, Se) to supplement into diet premix of reproductive LV (a Vietnamese Luong Phuong chicken breed) chickens resulted in certain improvement of poultry farming. The experimental data obtained showed that the farming indices depend mainly on the quantity of nanocrystalline metals which replaced the inorganic mineral component in the feed premix. All four experimental groups with different quantities of the replacement nano component grew and developed normally with livability reaching 91 to 94%, hen’s bodyweight at 38 weeks of age and egg weight ranged from 2.53–2.60 kg/hen and 50.86–51.55 g/egg, respectively. All these farming indices together with laying rate, egg productivity and chick hatchability peaked at group 5 with 25% of nanoscale metals compared to the standard inorganic mineral supplement, while feed consumption was lowest. The results also confirmed that nanocrystalline metals Fe, Cu, ZnO and Se supplemented to chicken feed were able to decrease inorganic minerals in the diet premixes at least four times, allowing animals to more effectively absorb feed minerals, consequently decreasing environmental pollution risks. (paper)

  17. Magnetoelectric coupling effect in transition metal modified polycrystalline BiFeO{sub 3} thin films

    Sreenivas Puli, Venkata, E-mail: pvsri123@gmail.com [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States); Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States); Kumar Pradhan, Dhiren [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States); Gollapudi, Sreenivasulu [Department of Physics, Oakland University, Rochester, MI 48309-4401 (United States); Coondoo, Indrani [Department of Materials and Ceramic and CICECO, University of Aveiro, 3810-193 Aveiro (Portugal); Panwar, Neeraj [Department of Physics, Central University of Rajasthan, Bandar Sindri, Kishangarh 305801, Rajasthan (India); Adireddy, Shiva; Chrisey, Douglas B. [Department of Physics and Engineering Physics, Tulane University, New Orleans, LA 70118 (United States); Katiyar, Ram S. [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR 00936 (United States)

    2014-11-15

    Rare-earth (Sm) and transition metal (Co) modified polycrystalline BiFeO{sub 3} (BFO) thin films have been deposited on Pt/TiO{sub 2}/SiO{sub 2}/Si substrate successfully through pulsed laser deposition (PLD) technique. Piezoelectric, leakage current and temperature dependent dielectric and magnetic behaviour were investigated for the films. Typical “butterfly-shaped” loop were observed in BSFCO films with an effective piezoelectric constant (d{sub 33}) ∼94 pm/V at 0.6 MV/cm. High dielectric constant ∼900 and low dielectric loss ∼0.25 were observed at room temperature. M–H loops have shown relatively high saturation magnetization ∼35 emu/cm{sup 3} at a maximum field of H ∼20 kOe. Enhanced magnetoelectric coupling response is observed under applied magnetic field. The multiferroic, piezoelectric, leakage current behaviours were explored. Such studies should be helpful in designing multiferroic materials based on BSFCO films. - Highlights: • Transition metal modified polycrystalline BiFeO{sub 3} thin films prepared using PLD. • High ME-coupling response was observed in co-substituted BiFeO{sub 3} thin films. • High magnetization ∼35 emu/cm{sup 3} at a maximum field of H ∼20 kOe. • Low leakage current might be due to co-substitution in BiFeO{sub 3} thin films. • A notable piezoelectric constant d{sub 33} ∼94 pm/V was found in BiFeO{sub 3} thin films.

  18. Magnetoelectric coupling effect in transition metal modified polycrystalline BiFeO3 thin films

    Sreenivas Puli, Venkata; Kumar Pradhan, Dhiren; Gollapudi, Sreenivasulu; Coondoo, Indrani; Panwar, Neeraj; Adireddy, Shiva; Chrisey, Douglas B.; Katiyar, Ram S.

    2014-01-01

    Rare-earth (Sm) and transition metal (Co) modified polycrystalline BiFeO 3 (BFO) thin films have been deposited on Pt/TiO 2 /SiO 2 /Si substrate successfully through pulsed laser deposition (PLD) technique. Piezoelectric, leakage current and temperature dependent dielectric and magnetic behaviour were investigated for the films. Typical “butterfly-shaped” loop were observed in BSFCO films with an effective piezoelectric constant (d 33 ) ∼94 pm/V at 0.6 MV/cm. High dielectric constant ∼900 and low dielectric loss ∼0.25 were observed at room temperature. M–H loops have shown relatively high saturation magnetization ∼35 emu/cm 3 at a maximum field of H ∼20 kOe. Enhanced magnetoelectric coupling response is observed under applied magnetic field. The multiferroic, piezoelectric, leakage current behaviours were explored. Such studies should be helpful in designing multiferroic materials based on BSFCO films. - Highlights: • Transition metal modified polycrystalline BiFeO 3 thin films prepared using PLD. • High ME-coupling response was observed in co-substituted BiFeO 3 thin films. • High magnetization ∼35 emu/cm 3 at a maximum field of H ∼20 kOe. • Low leakage current might be due to co-substitution in BiFeO 3 thin films. • A notable piezoelectric constant d 33 ∼94 pm/V was found in BiFeO 3 thin films

  19. Rich magnetoelectric phase diagrams of multiferroic single-crystal α -NaFeO2

    Terada, Noriki; Ikedo, Yuta; Sato, Hirohiko; Khalyavin, Dmitry D.; Manuel, Pascal; Miyake, Atsushi; Matsuo, Akira; Tokunaga, Masashi; Kindo, Koichi

    2017-07-01

    The magnetic and dielectric properties of the multiferroic triangular lattice magnet compound α -NaFeO2 were studied by magnetization, specific heat, dielectric permittivity, and pyroelectric current measurements and by neutron diffraction experiments using single crystals grown by a hydrothermal synthesis method. This work produced magnetic field (in the monoclinic a b -plane, Ba b, and along the c*-axis, Bc) versus temperature magnetic phase diagrams, including five and six magnetically ordered phases in Ba b and along Bc, respectively. In zero magnetic field, two spin-density-wave orderings with different k vectors—(0 ,q ,1/2 ) in phase I and (qa,qb,qc ) in phase II—appeared at T =9.5 and 8.25 K, respectively. Below T =5 K, a commensurate order with k =(0.5 ,0 ,0.5 ) was stabilized as the ground state in phase III. Both Ba b≥3 T and Bc≥5 T were found to induce ferroelectric phases at the lowest temperature (2 K), with an electric polarization that was not confined to any highly symmetric directions in phases IVa b (3.3 ≤Ba b≤8.5 T), Va b (8.5 ≤Ba b≤13.6 T), IVc (5.0 ≤Bc≤8.5 T), and Vc (8.5 ≤Bc≤13.5 T). In phase VIc, within a narrow temperature region in Bc, the polarization was confined to the a b plane. For each of the ferroelectric phases, the k vector was (qa,qb,qc ), and noncollinear structures were identified, including a general spiral in IVa b an a b cycloid in IVc and Vc, and a proper screw in VIc, along with a triclinic 11' magnetic point group allowing polarization in the general direction. Comparing the polarization direction to the magnetic structures in the ferroelectric phases, we conclude that the extended inverse Dzyaloshinskii-Moriya mechanism expressed by the orthogonal components p1∝ri j×(Si×Sj) and p2∝Si×Sj can explain the polarization directions. Based on calculations incorporating exchange interactions up to fourth-nearest-neighbor (NN) couplings, we infer that competition among antiferromagnetic second NN

  20. Molecular orbital (SCF-X-α-SW) theory of Fe2+-Mn3+, Fe3+-Mn2+, and Fe3+-Mn3+ charge transfer and magnetic exchange in oxides and silicates

    Sherman, David M.

    1990-01-01

    Metal-metal charge-transfer and magnetic exchange interactions have important effects on the optical spectra, crystal chemistry, and physics of minerals. Previous molecular orbital calculations have provided insight on the nature of Fe2+-Fe3+ and Fe2+-Ti4+ charge-transfer transitions in oxides and silicates. In this work, spin-unrestricted molecular orbital calculations on (FeMnO10) clusters are used to study the nature of magnetic exchange and electron delocalization (charge transfer) associated with Fe3+-Mn2+, Fe3+-Mn3+, and Fe2+-Mn3+ interactions in oxides and silicates. 

  1. Hard magnetic properties and coercivity mechanism of melt-spun Misch Metal-Fe-B alloy

    Quan, Ningtao; Luo, Yang, E-mail: eluoyang@foxmail.com; Yan, Wenlong; Yuan, Chao; Yu, Dunbo; Sun, Liang; Lu, Shuo; Li, Hongwei; Zhang, Hongbin

    2017-09-01

    Highlights: • Melt-spun MM{sub 13}Fe{sub 81}B{sub 6} alloy shows that the distributions of the La, Ce, Pr, Nd, Fe and B elements is uniformly distributed, and the grain size is in the range of 30–40 nm, it can be seen that Pr-rich and La-rich phases concentrated on grain boundaries, which resulted in the coercivity augment with the increase of MMFe{sub 2} content, and the grain size is around 40–50 nm in MM{sub 16}Fe{sub 78}B{sub 6}. • There is a significant formation of MMFe{sub 2} with abundant Pr and La, and a small amount of Ce and Nd enriched at the interfacial region in MM{sub 16}Fe{sub 78}B{sub 6}, thus an inhomogeneous region was formed. It is considered that the inhomogeneous region is effective in increasing the coercivity. • The optimum-quenched MM{sub 13}Fe{sub 81}B{sub 6} alloy have been shown to exhibit a coercive force of 6.9 kOe and an energy product of 8.5 MGOe, which is superior to anisotropic ferrite magnets of 4.5 MGOe. - Abstract: Magnetic and structural properties of Misch Metal (MM)-Fe-B alloys, were examined in the melt-spun ribbons. Melt-spun MM-Fe-B samples were prepared at the surface velocities of 18–30 m/s. Crystalline structure and their room-temperature magnetization characteristics were analyzed, and the optimum surface velocity of 20 m/s and nominal composition of MM{sub 13}Fe{sub 81}B{sub 6} were obtained. Microstructural analyses indicate that the grain size is approximately 30–50 nm in the alloys with the optimum characteristics. In the MM{sub 16}Fe{sub 78}B{sub 6} alloys, Pr-rich and La-rich phases concentrated on grain boundaries, which resulted in the coercivity augment with the increase of MMFe{sub 2} content. Dependence of coercivity on applied magnetic field suggested that the mechanism of coercivity in moderate MM-content samples was inhomogeneous domain wall pinning type. The melt-spun ribbons in the optimum condition exhibit a coercive force of 6.9 kOe and an energy product of 8.5 MGOe, which can be used as

  2. Change of electrical resistivity and Young's modulus during crystallization of amorphous Fe40Ni40B20

    Stel, J. van der; Veldhuizen, H.B. van; Koebrugge, G.W.; Sietsma, J.; Beukel, A. van den

    1989-01-01

    The kinetics of crystallization of amorphous Fe 40 Ni 40 B 20 is studied by measuring isothermal changes of the electrical resistivity and Young's modulus in the temperature range 600 to 700 K. The results satisfy very well the Johnson-Mehl-Avrami equation for phase transformations with a constant activation energy of 317 kJ/mol and a constant Avrami exponent n ∼ 2. This result is interpreted as two-dimensional growth of pre-existing nuclei which become as thick as the specimen in an early stage of crystallization. The relative change in electrical resistivity upon crystallization strongly depends on the measuring temperature T m , varying from 47% at T m = 77 K to 5% at T m = 600 K. It extrapolates to zero at T m ∼ 700 K. (author)

  3. Metal-organic framework derived Fe/Fe3C@N-doped-carbon porous hierarchical polyhedrons as bifunctional electrocatalysts for hydrogen evolution and oxygen-reduction reactions.

    Song, Chunsen; Wu, Shikui; Shen, Xiaoping; Miao, Xuli; Ji, Zhenyuan; Yuan, Aihua; Xu, Keqiang; Liu, Miaomiao; Xie, Xulan; Kong, Lirong; Zhu, Guoxing; Ali Shah, Sayyar

    2018-08-15

    The development of simple and cost-effective synthesis methods for electrocatalysts of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) is critical to renewable energy technologies. Herein, we report an interesting bifunctional HER and ORR electrocatalyst of Fe/Fe 3 C@N-doped-carbon porous hierarchical polyhedrons (Fe/Fe 3 C@N-C) by a simple metal-organic framework precursor route. The Fe/Fe 3 C@N-C polyhedrons consisting of Fe and Fe 3 C nanocrystals enveloped by N-doped carbon shells and accompanying with some carbon nanotubes on the surface were prepared by thermal annealing of Zn 3 [Fe(CN) 6 ] 2 ·xH 2 O polyhedral particles in nitrogen atmosphere. This material exhibits a large specific surface area of 182.5 m 2  g -1 and excellent ferromagnetic property. Electrochemical tests indicate that the Fe/Fe 3 C@N-C hybrid has apparent HER activity with a relatively low overpotential of 236 mV at the current density of 10 mA cm -2 and a small Tafel slope of 59.6 mV decade -1 . Meanwhile, this material exhibits excellent catalytic activity toward ORR with an onset potential (0.936 V vs. RHE) and half-wave potential (0.804 V vs. RHE) in 0.1 M KOH, which is comparable to commercial 20 wt% Pt/C (0.975 V and 0.820 V), and shows even better stability than the Pt/C. This work provides a new insight to developing multi-functional materials for renewable energy application. Copyright © 2018 Elsevier Inc. All rights reserved.

  4. Removing metal debris from thermosetting EMC powders by Nd-Fe-B permanent magnets

    Liaw Yowching

    2017-01-01

    Full Text Available During the preparation of thermosetting encapsulation molding compounds (EMCs for semiconductor packaging, metal debris are always present in the EMC powders due to the hard silica fillers in the compound. These metal debris in the EMC powders will cause circuit shortage and therefore have to be removed before molding. In this study, Nd-Fe-B permanent magnets are used to remove these debris. The results show that the metal debris can be removed effectively as the rate of accumulation of the metal debris increases as time proceeds in the removing operation. The removal effectiveness of the debris is affected by both the magnetic flux density and the flow around the magnet. The wake flow behind the magnet is a relatively low speed recirculation region which facilities the attraction of metal debris in the powders. Thus, the largest amount of the accumulated EMC powders occurs downstream of the magnet. Hence, this low speed recirculation region should be better utilized to enhance the removal efficiency of the metal debris.

  5. Formation and stability of aluminum-based metallic glasses in Al-Fe-Gd alloys

    He, Y.; Poon, S.J.; Shiflet, G.J.

    1988-01-01

    Metallic glasses, a class of amorphous alloys made by rapid solidification, have been studied quite extensively for almost thirty years. It has been recognized for a long time that metallic glasses are usually very strong and ductile, and exhibit high corrosion resistance relative to crystalline alloys with the same compositions. Recently, metallic glasses containing as much as 90 atomic percent aluminum have been discovered independently by two groups. This discovery has both scientific and technological implications. The formability of these new glasses have been found to be unusual. Studies of mechanical properties in these new metallic glasses show that many of them have tensile strengths over 800MPa, greatly exceeding the strongest commercial aluminum alloys. The high strengths of aluminum-rich metallic glasses can be of significant importance in obtaining high strength low density materials. Therefore, from both scientific and technological standpoints, it is important to understand the formation and thermal stability of these metallic glasses. Al-Fe-Gd alloys were chosen for a more detailed study since they exhibit high tensile strengths

  6. Metal Halide Perovskite Polycrystalline Films Exhibiting Properties of Single Crystals

    Brenes, Roberto; Guo, D.; Osherov, Anna; Noel, Nakita K.; Eames, Christopher; Hutter, E.M.; Pathak, Sandeep K.; Niroui, Farnaz; Friend, Richard H.; Islam, M. Saiful; Snaith, Henry J.; Bulović, Vladimir; Savenije, T.J.; Stranks, Samuel D.

    2017-01-01

    Metal halide perovskites are generating enormous excitement for use in solar cells and light-emission applications, but devices still show substantial non-radiative losses. Here, we show that by combining light and atmospheric treatments, we can increase the internal luminescence quantum

  7. Crystal field of Dy in non-magnetic metals

    Kikkert, Pieter Jan Willem

    1980-01-01

    Many investigations carried out during the last 15 years have demonstrated that the crystalline electric field (CEF) has a great influence on the low temperature magnetic behaviour of rare earth ions in metallic systems (see e.g. /1/) . It is therefore important to understand the origin of the CEF

  8. Outstanding resistance and passivation behaviour of new Fe-Co metal-metal glassy alloys in alkaline media.

    Khadijah M Emran

    Full Text Available The electrochemical behavior of the oxide layers on two metal-metal glassy alloys, Fe78Co9Cr10Mo2Al1 (VX9and Fe49Co49V2 (VX50 (at.%, were studied using electrochemical techniques including electrochemical frequency modulation (EFM, electrochemical impedance spectroscopy (EIS and cyclic polarization (CP measurements. The morphology and composition of the alloy surfaces were investigated using X-ray photoelectron spectroscopy (XPS, scanning electron microscopy (SEM and atomic force microscopy (AFM. The corrosion rate and surface roughness of both alloys increased as the concentration of NaOH in aqueous solution was raised. The presence of some protective elements in the composition of the alloys led to the formation of a spontaneous passive layer on the alloy surface. The higher resistance values of both alloys were associated with the magnitude of the dielectric properties of the passive films formed on their surfaces. Both alloys are classified as having outstanding resistance to corrosion, which results from the formation of a passive film that acts as an efficient barrier to corrosion in alkaline solution.

  9. Effect of wheel speed on the crystallization behavior of as-quenched Nd-Fe-B alloys

    Kuo Men

    2016-02-01

    Full Text Available A series of alloys composed of Nd9Fe85Nb0.5B5.5 were prepared through rapid quenching by different wheel speeds. Nanocomposite was usually obtained by subjecting the as-quenched alloys to a crystallization annealing. The crystallization behavior was investigated by differential scanning calorimetry (DSC as the primary method. The results showed that the DSC curve of sample prepared at 15 m/s had only one exothermic peak at about 690 °C. When the wheel speed increased to 18-27 m/s, one more peak at 590 °C appeared. Moreover, the intensity of this new peak enhances while the original one at 690 °C declined as the speed increases within this range. When the speed further grew up to 30, 35, or 40 m/s , only the peak at 590 °C remained while the other disappeared. This could be ascribed to the different initial phase structures of the alloys, which were found to vary with the wheel speeds. As can be seen, with increasing the wheel speed, the contents of amorphous and metastable phase increased while Nd2Fe14B phase decreased. This change resulted in a huge effect on the crystallization behavior. We could deduce the relative content of each phase from the integral areas of peaks in DSC curves in different samples and figure out the phase transition in the crystallization. The results showed that the crystallization of samples prepared by relatively high speeds, which are almost amorphous initially, manifest as only one step, while those prepared by relatively low speeds showed two. Subsequently, we analyzed the crystallization process and interpreted it from the theory of energy barrier.

  10. In Situ Synthesis and Characterization of Fe-Based Metallic Glass Coatings by Electrospark Deposition Technique

    Burkov, Alexander A.; Pyachin, S. A.; Ermakov, M. A.; Syuy, A. V.

    2017-02-01

    Crystalline FeWMoCrBC electrode materials were prepared by conventional powder metallurgy. Metallic glass (MG) coatings were produced by electrospark deposition onto AISI 1035 steel in argon atmosphere. X-ray diffraction and scanning electron microscopy verified the amorphous structure of the as-deposited coatings. The coatings have a thickness of about 40 microns and a uniform structure. The results of dry sliding wear tests against high-speed steel demonstrated that Fe-based MG coatings had a lower friction coefficient and more than twice the wear resistance for 20 km sliding distance with respect to AISI 1035 steel. High-temperature oxidation treatment of the metal glass coatings at 1073 K in air for 12 h revealed that the oxidation resistance of the best coating was 36 times higher than that for bare AISI 1035 steel. These findings are expected to broaden the applications of electrospark Fe-based MG as highly protective and anticorrosive coatings for mild steel.

  11. TRACE METAL CONTENT (Cu, Zn, Mn AND Fe) IN URTICA DIOICA L. AND PLANTAGO MAJOR L.

    Krolak, Elzbieta; Raczuk, Jolanta; Borkowska, Lidia

    2016-11-01

    The aim of the study was to compare the contents of Cu, Zn, Mn and Fe in the washed and unwashed leaves and roots of two plant species: Urica dioica L. and Plantago major L., used in herbal medicine. These two herb species occur in the same environmental habitats, yet their morphological structure is different. The soil and plant samples for analyses were collected from an uncontaminated area in Eastern Poland. In each habitat location, the samples were taken from sandy soils with slightly acidic and neutral pH values. The obtained results showed that U. dioica and P. major accumulated similar amounts of trace metals, such as: Cu, Zn and Fe, in leaves, despite the differences in the morphological structure of their overground parts. The content of Mn in leaves U. dioica was about twice as much as in P. major. Also, no differences in the metal content were observed between washed and unwashed leaves of both species. However, in the same habitat conditions, a significantly higher content of Cu, Zn and Mn was found in the roots of P. major than U. dioica. The content of Fe in the roots was similar in both species. P. major and U. dioica may be a valuable source of microelements, if they are obtained from unpolluted habitats.

  12. Isolated Fe sites in Metal Organic Framework catalyze the direct conversion of methane to methanol

    Osadchii, Dmitrii

    2018-05-10

    Hybrid materials bearing organic and inorganic motives have been extensively discussed as playgrounds for the implementation of atomically resolved inorganic sites within a confined environment, with an exciting similarity to enzymes. Here, we present the successful design of a site-isolated mixed-metal Metal Organic Framework that mimics the reactivity of soluble methane monooxygenase enzyme reactivity and demonstrates the potential of this strategy to overcome current challenges in selective methane oxidation. We describe the synthesis and characterisation of an Fe-containing MOF that comprises the desired antiferromagnetically cou-pled high spin species in a coordination environment closely resembling that of the enzyme. An electrochemi-cal synthesis method is used to build the microporous MOF matrix while integrating, with an exquisite con-trol, the atomically dispersed Fe active sites in the crystalline scaffold. The model mimics the catalytic C-H activation behaviour of the enzyme to produce methanol, and shows that the key to this reactivity is the for-mation of isolated oxo-bridged Fe units.

  13. Isolated Fe sites in Metal Organic Framework catalyze the direct conversion of methane to methanol

    Osadchii, Dmitrii; Olivos Suarez, Alma Itzel; Szé csé nyi, Á gnes; Li, Guanna; Nasalevich, Maxim A.; Dugulan, A Iulian; Serra-Crespo, Pablo; Hensen, Emiel J. M.; Veber, Sergey L.; Fedin, Matvey V.; Sankar, Gopinathan; Pidko, Evgeny A; Gascon, Jorge

    2018-01-01

    Hybrid materials bearing organic and inorganic motives have been extensively discussed as playgrounds for the implementation of atomically resolved inorganic sites within a confined environment, with an exciting similarity to enzymes. Here, we present the successful design of a site-isolated mixed-metal Metal Organic Framework that mimics the reactivity of soluble methane monooxygenase enzyme reactivity and demonstrates the potential of this strategy to overcome current challenges in selective methane oxidation. We describe the synthesis and characterisation of an Fe-containing MOF that comprises the desired antiferromagnetically cou-pled high spin species in a coordination environment closely resembling that of the enzyme. An electrochemi-cal synthesis method is used to build the microporous MOF matrix while integrating, with an exquisite con-trol, the atomically dispersed Fe active sites in the crystalline scaffold. The model mimics the catalytic C-H activation behaviour of the enzyme to produce methanol, and shows that the key to this reactivity is the for-mation of isolated oxo-bridged Fe units.

  14. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    Zong, Yi-Xin; Xia, Jian-Bai; Wu, Hai-Bin

    2017-04-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. Project supported by the National Basic Research Program of China (Grant No. 2011CB922200) and the National Natural Science Foundation of China (Grant No. 605210010).

  15. Numerical study on characteristic of two-dimensional metal/dielectric photonic crystals

    Zong Yi-Xin; Xia Jian-Bai; Wu Hai-Bin

    2017-01-01

    An improved plan-wave expansion method is adopted to theoretically study the photonic band diagrams of two-dimensional (2D) metal/dielectric photonic crystals. Based on the photonic band structures, the dependence of flat bands and photonic bandgaps on two parameters (dielectric constant and filling factor) are investigated for two types of 2D metal/dielectric (M/D) photonic crystals, hole and cylinder photonic crystals. The simulation results show that band structures are affected greatly by these two parameters. Flat bands and bandgaps can be easily obtained by tuning these parameters and the bandgap width may reach to the maximum at certain parameters. It is worth noting that the hole-type photonic crystals show more bandgaps than the corresponding cylinder ones, and the frequency ranges of bandgaps also depend strongly on these parameters. Besides, the photonic crystals containing metallic medium can obtain more modulation of photonic bands, band gaps, and large effective refractive index, etc. than the dielectric/dielectric ones. According to the numerical results, the needs of optical devices for flat bands and bandgaps can be met by selecting the suitable geometry and material parameters. (paper)

  16. Optical trapping of metal-dielectric nanoparticle clusters near photonic crystal microcavities.

    Mejia, Camilo A; Huang, Ningfeng; Povinelli, Michelle L

    2012-09-01

    We predict the formation of optically trapped, metal-dielectric nanoparticle clusters above photonic crystal microcavities. We determine the conditions on particle size and position for a gold particle to be trapped above the microcavity. We then show that strong field redistribution and enhancement near the trapped gold nanoparticle results in secondary trapping sites for a pair of dielectric nanoparticles.

  17. Interfacial morphologies and growth modes of F.C.C. metallic crystals from liquid alloys

    Camel, Denis

    1980-01-01

    Equilibrium and growth morphologies of f.c.c. metallic crystals in contact with liquid alloys have been observed in-situ using transmission electron microscopy. These morphologies have been discussed in terms of atomic interfacial structure and growth mechanisms with the help of a statistical thermodynamic model which takes into account the effects of chemical interactions and interfacial adsorption. (author) [fr

  18. Synthesis, crystal structure, and magnetic properties of quaternary iron selenides: Ba{sub 2}FePnSe{sub 5} (Pn=Sb, Bi)

    Wang, Jian; Greenfield, Joshua T.; Kovnir, Kirill

    2016-10-15

    Two new barium iron pnictide–selenides, Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, were synthesized by a high-temperature solid-state route and their crystal structures were determined using single crystal X-ray diffraction. Both compounds are isomorphic to the high pressure phase Ba{sub 3}FeS{sub 5} and crystallize in the orthorhombic space group Pnma (No. 62) with cell parameters of a=12.603(2)/12.619(2) Å, b=9.106(1)/9.183(1) Å, c=9.145(1)/9.123(1) Å and Z=4 for Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5}, respectively. According to differential scanning calorimetry, Ba{sub 2}FePnSe{sub 5} compounds exhibit high thermal stability and melt congruently at 1055(5) K (Pn=Sb) and 1105(5) K (Pn=Bi). Magnetic characterizations reveal strong antiferromagnetic nearest-neighbor interactions in both compounds resulting in an antiferromagnetic ordering at 58(1) K for Ba{sub 2}FeSbSe{sub 5} and 79(2) K for Ba{sub 2}FeBiSe{sub 5}. The magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Graphical abstract: In Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} the magnetic interactions between Fe{sup 3+} centers, which are at least 6 Å apart from each other, are mediated by superexchange interactions. - Highlights: • New compounds Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} have been synthesized. • The crystal structure was determined by single crystal X-ray diffraction. • Both compounds melt congruently at temperatures above 1000 K. • Ba{sub 2}FeSbSe{sub 5} and Ba{sub 2}FeBiSe{sub 5} exhibit AFM ordering at 58 K (Sb) and 70 K (Bi). • Magnetic exchange between Fe{sup 3+} is mediated by either Se–Sb(Bi)–Se or Se–Ba–Se bridges.

  19. Crystallization kinetics of Ga metallic nano-droplets under As flux

    Bietti, S; Somaschini, C; Sanguinetti, S

    2013-01-01

    We present an experimental investigation of the crystallization dynamics of Ga nano-droplets under As flux. The transformation of the metallic Ga contained in the droplets into a GaAs nano-island proceeds by increasing the size of a tiny ring of GaAs which is formed just after the Ga deposition at the rim of a droplet. The GaAs crystallization rate depends linearly on the liquid–solid interface area. The maximum growth rate is set by the As flux impinging on the droplet, thus showing an efficient As incorporation and transport despite the predicted low solubility of the As in metallic Ga at the crystallization temperatures. (paper)

  20. Anisotropy of electron work function and reticular compacting of friable faces of metallic crystals

    Vladimirov, A.F.

    1999-01-01

    The review and statistical estimate of experimental data on work functions for BCC-, FCC- and HCP - metals (W, Mo, Ta, Nb, Cr, V, Ni, Y) as well as the earlier developed quantum-mechanical statistical model of double electrical layer formation at metal surface and the calculation of an electron work function dipole constituent serve as a basis for the development of a semi-empirical theory of electron work function anisotropy. A coefficient of reticular compacting of friable crystal faces is introduced and statistically estimated. A coefficient of crystal emission anisotropy is also introduced and estimated both theoretically and empirically. The theory permits calculating work functions for all crystal faces and a volumetric constituent of the work function from the measured value of electron work function for a single face [ru

  1. Crystal structure and magnetic properties of the Cr-doped spiral antiferromagnet BiMnFe2O6

    Batuk, Dmitry; De Dobbelaere, Christopher; Tsirlin, Alexander A.; Abakumov, Artem M.; Hardy, An; Van Bael, Marlies K.; Greenblatt, Martha; Hadermann, Joke

    2013-01-01

    Graphical abstract: - Highlights: • The substitution of Cr for Mn in BiMnFe 2 O 6 is possible by the solution–gel method. • The BiCr x Mn 1−x Fe 2 O 6 solid solution is obtained for the x values up to 0.3. • Increasing Cr content lowers the temperature of the antiferromagnetic ordering. - Abstract: We report the Cr 3+ for Mn 3+ substitution in the BiMnFe 2 O 6 structure. The BiCr x Mn 1−x Fe 2 O 6 solid solution is obtained by the solution–gel synthesis technique for the x values up to 0.3. The crystal structure investigation using a combination of X-ray powder diffraction and transmission electron microscopy demonstrates that the compounds retain the parent BiMnFe 2 O 6 structure (for x = 0.3, a = 5.02010(6)Å, b = 7.06594(7)Å, c = 12.6174(1)Å, S.G. Pbcm, R I = 0.036, R P = 0.011) with only a slight decrease in the cell parameters associated with the Cr 3+ for Mn 3+ substitution. Magnetic susceptibility measurements suggest strong similarities in the magnetic behavior of BiCr x Mn 1−x Fe 2 O 6 (x = 0.2; 0.3) and parent BiMnFe 2 O 6 . Only T N slightly decreases upon Cr doping that indicates a very subtle influence of Cr 3+ cations on the magnetic properties at the available substitution rates

  2. Bond ionicity in crystals of transition metal compounds

    Kesler, Ya.A.

    1989-01-01

    A unified method of calculating bond ionicity in inorganic crystals is suggested. The approach presented envisages the sealing of d-electron contribution to ξ,p-electron contribution for the retention of community which can only be implemented by a self-consistent procedure. The results of self-consistent calculations of bond parameters of a number of crystals (ScN, Sc 2 O 3 , In 2 O 3 , J 2 O 3 ) as compared with the data for ξ,p-analogues are given. Ionicity changes in the series of analogous compounds utterly correspond to existing chemical concepts. The data for oxides of 4d-, 5d-elements (ZrO 2 , CeO 2 , ThO 2 ) and for a number of ternary compounds containing two types of bonds (LiNbO 3 , CdSc 2 S 4 , CdCr 2 Se 4 etc) are also given. In the case of transition elements ionicity to a great extent depends on the symmetry of anion environment and correlates to orbital population well. Ionicity values are in direct proportion to effective charges of atoms of transition elements

  3. Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

    Nazir, Safdar; Schwingenschlö gl, Udo

    2013-01-01

    of the interface structure is taken into account by atomic force minimization. We find that both Co and Fe are close to half-metallicity at the interface. Tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface

  4. Enhancement of oxygen reduction at Fe tetrapyridyl porphyrin by pyridyl-N coordination to transition metal ions

    Maruyama, Jun; Baier, Claudia; Wolfschmidt, Holger; Bele, Petra; Stimming, Ulrich

    2012-01-01

    One of the promising candidates as noble-metal-free electrode catalysts for polymer electrolyte fuel cells (PEFCs) is a carbon material with nitrogen atoms coordinating iron ions embedded on the surface (Fe-N x moiety) as the active site, although the activity is insufficient compared to conventional platinum-based electrocatalysts. In order to obtain fundamental information on the activity enhancement, a simple model of the Fe-N x active site was formed by adsorbing 5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphine iron(III) chloride (FeTPyPCl) on the basal plane of highly oriented pyrolytic graphite (HOPG), and cathodic oxygen reduction was investigated on the surface in 0.1 M HClO 4 . The catalytic activity for oxygen reduction was enhanced by loading transition metal ions (Co 2+ , Ni 2+ , Cu 2+ ) together with FeTPyPCl. The X-ray photoelectron spectrum of the surface suggested that the metal was coordinated by the pyridine-N. The enhancement effect of the transition metals was supported by two different measurements: oxygen reduction at HOPG in 0.1 M HClO 4 dissolving FeTPyPCl and the metal ions; oxygen reduction in 0.1 M HClO 4 at the subsequently well-rinsed and dried HOPG. The ultraviolet–visible spectrum for the solution also suggested the coordination between the pyridyl-N and the metal ions. The oxygen reduction enhancement was attributed to the electronic interaction between the additional transition metal and the Fe center of the porphyrin through the coordination bonds. These results implied that the improvement of the activity of the noble-metal-free catalyst would be possible by the proper introduction of the transition metal ions around the active site.

  5. Superconductivity and spin fluctuations in M-Zr metallic glasses (M = Cu, Ni, Co, and Fe)

    Altounian, Z.; Strom-Olsen, J.O.

    1983-01-01

    The superconducting transition temperature, upper critical field, and magnetic susceptibility have been measured in four binary metallic glass systems: Cu-Zr, Ni-Zr, Co-Zr, and Fe-Zr. For each alloy system, a full and continuous range of Zr-rich compositions accessible by melt spinning has been examined. For Cu-Zr, the range is 0.75>x>0.30; for Ni-Zr, 0.80>x>0.30; for Co-Zr, 0.80>x>0.48, and for Fe-Zr, 0.80>x>0.55 (x being the concentration of Zr in at. %). The results show clearly the influence of spin fluctuations in reducing the superconducting transition temperature. The data have been successfully analyzed using a modified form of the McMillan equation together with expressions for the Stoner enhanced magnetic susceptibility and the Ginsburg-Landau-Abrikosov-Gor'kov expression for the upper critical field

  6. Photovoltaic effect in transition metal modified polycrystalline BiFeO3 thin films

    Puli, Venkata Sreenivas; Chrisey, Douglas B; Pradhan, Dhiren Kumar; Katiyar, Rajesh Kumar; Misra, Pankaj; Scott, J F; Katiyar, Ram S; Coondoo, Indrani; Panwar, Neeraj

    2014-01-01

    We report photovoltaic (PV) effect in multiferroic Bi 0.9 Sm 0.1 Fe 0.95 Co 0.05 O 3 (BSFCO) thin films. Transition metal modified polycrystalline BiFeO 3 (BFO) thin films have been deposited on Pt/TiO 2 /SiO 2 /Si substrate successfully through pulsed laser deposition (PLD). PV response is observed under illumination both in sandwich and lateral electrode configurations. The open-circuit voltage (V oc ) and the short-circuit current density (J sc ) of the films in sandwich electrode configuration under illumination are measured to be 0.9 V and −0.051 µA cm −2 . Additionally, we report piezoresponse for BSFCO films, which confirms ferroelectric piezoelectric behaviour. (paper)

  7. The Effect of Water Table Fluctuation and its Salinity on Fe Crystal and Noncrystal in some Khuzestan Soils

    mostafa Pajohannia

    2017-01-01

    Full Text Available Introduction: Iron is found in different forms in the soil. In the primary minerals, iron is found as Fe3+ or Fe2+ which converted to Fe2+ and released in unsuitable reduction conditions. Minerals such as sulfide or chlorine and bicarbonate can affect and change the different forms soil Fe. FeAs these elements are abundance in groundwater or soil, they are capable to react chemically with Fe and change different Fe forms and also may deposit or even leach them by increasing its solubility in the soil. Water table fluctuation is a regular phenomenon in Khuzestan that Fe forms change under these situations. The study of Fe oxide forms and its changes can be applied for evaluation of soil development. Therefore, the aim of this study is the water table fluctuation and its quality effects, and some physio-chemical properties on Fe oxides forms in non-saline and saline soils in Khuzestan. Materials and Methods: Soil samples were collected from two regions: saline (Abdolkhan and non-saline (South Susa regions. soil samples were collected from all horizons of 12 soil field studied profiles . The samples were analyzed for soil texture, pH, EC (soil: water ratio 1:5, organic carbon and aggregate stability (Kemper and Rosenau method. Fe forms also were extracted by two methods in all samples: di-tyonite sodium and ammonium oxalate extraction. Fe oxalate extracted was related to Feo (non crystal Fe and Fed-Feo was related to Fec (crystalline Fe. The Fe content were determined by atomic absorbtion spectrophotometer (AAS. Data were analysis in SAS and Excel software and results were presented. Results and Discussion: The results showed that texture were loamy sand to silty clay loam, OM was very poor (0.1-0.7%. The soil salinity was also 2.8-16.8 dS/m. Calcium carbonate equivalent was 38-40%. All pedons were classified in Entisols and Inceptisols according to Keys to soil taxonomy (2010. The results showed that the proportion of Fe with oxalate to di

  8. Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

    Nazir, Safdar

    2013-01-01

    Spin polarized ab initio calculations based on density functional theory are performed to investigate the electronic and magnetic properties of the interface between the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2. Relaxation of the interface structure is taken into account by atomic force minimization. We find that both Co and Fe are close to half-metallicity at the interface. Tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface can be achieved, for comparably moderate strain. © 2012 The Royal Society of Chemistry.

  9. Characterization of crystallization kinetics of a Ni- (Cr, Fe, Si, B, C, P) based amorphous brazing alloy by non-isothermal differential scanning calorimetry

    Raju, S.; Kumar, N.S. Arun; Jeyaganesh, B.; Mohandas, E.; Mudali, U. Kamachi

    2007-01-01

    The thermal stability and crystallization kinetics of a Ni- (Cr, Si, Fe, B, C, P) based amorphous brazing foil have been investigated by non-isothermal differential scanning calorimetry. The glass transition temperature T g , is found to be 720 ± 2 K. The amorphous alloy showed three distinct, yet considerably overlapping crystallization transformations with peak crystallization temperatures centered around 739, 778 and 853 ± 2 K, respectively. The solidus and liquidus temperatures are estimated to be 1250 and 1300 ± 2 K, respectively. The apparent activation energies for the three crystallization reactions have been determined using model free isoconversional methods. The typical values for the three crystallization reactions are: 334, 433 and 468 kJ mol -1 , respectively. The X-ray diffraction of the crystallized foil revealed the presence of following compounds Ni 3 B (Ni 4 B 3 ), CrB, B 2 Fe 15 Si 3 , CrSi 2 , and Ni 4.5 Si 2 B

  10. Effects of Cu substitution for Fe on the glass-forming ability and soft magnetic properties for Fe-based bulk metallic glasses

    Dou, Lintao; Liu, Haishun; Hou, Long; Xue, Lin; Yang, Weiming; Zhao, Yucheng; Chang, Chuntao

    2014-01-01

    The effects of Cu substitution for Fe on the glass-forming ability (GFA) and soft magnetic properties for Fe 72−x Cu x B 20 Si 4 Nb 4 (x=0.0, 0.2, 0.4, 0.6, 0.8, and 1.0) bulk metallic glasses (BMGs) are investigated. It is found that the investigated BMGs exhibit large GFA as well as excellent soft magnetic properties, and proper substitution of Fe by Cu improves the saturation magnetization, coercive force, and effective permeability without obvious deterioration of the GFA. - Highlights: • Fully glassy rods of Fe 72−x Cu x B 20 Si 4 Nb 4 BMGs were produced above 1 mm in diameter. • Investigated BMGs exhibit large glass-forming ability and excellent soft magnetic properties. • Proper Cu substitution improves magnetic properties without obvious deterioration of glass-forming ability

  11. Magnetic properties of Co 2 2+ Co 1 - x 3+ Fe x 3+ BO5 ( x = 0.10) single crystals with a ludwigite structure

    Knyazev, Yu. V.; Kazak, N. V.; Bayukov, O. A.; Platunov, M. S.; Velikanov, D. A.; Bezmaternykh, L. N.; Ivanova, N. B.; Ovchinnikov, S. G.

    2017-04-01

    The investigation of mixed Co-Fe ludwigite single crystals shows that their magnetic properties are close to the magnetic properties of Fe3BO5 despite the predominance of cobalt ions. The magnetic properties of Co3 - x Fe x BO5 single crystals with x = 0.10 are studied in detail. Magnetometric measurements demonstrate a strong magnetic anisotropy with easy magnetization axis b, and the orbital magnetic moment of cobalt is in a frozen state. The detected temperature dependence of the absorption of Mössbauer spectra allowed us to determine the magnetic ordering temperature, which agrees with the results of magnetization measurements ( T C = 84 K).

  12. Crystallization kinetics of the Cu50Zr50 metallic glass under isothermal conditions

    Gao, Qian; Jian, Zengyun; Xu, Junfeng; Zhu, Man; Chang, Fange; Han, Amin

    2016-01-01

    Amorphous structure of the melt-spun Cu 50 Zr 50 amorphous alloy ribbons were confirmed by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HR-TEM). Isothermal crystallization kinetics of these alloy ribbons were investigated using differential scanning calorimetry (DSC). Besides, Arrhenius and Johnson-Mehl-Avrami (JMA) equations were utilized to obtain the isothermal crystallization kinetic parameters. As shown in the results, the local activation energy E α decreases by a large margin at the crystallized volume fraction α<0.1, which proves that crystallization process is increasingly easy. In addition, the local activation energy E α is basically constant at 0.1<α<0.9. Therefore, it turns out that the unchanged barrier is overcome in the crystallization process. Finally, E α rapidly decreases at 0.9<α<1, implying that crystallization becomes easier and easier to proceed. Nucleation activation energy E nucleation is greater than growth activation energy E growth , so nucleation is harder than growth in isothermal process. In terms of the local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Graphical abstract: The local Avrami exponent n(α), it ranges 1.1–7.4, revealing that isothermal crystallization mechanism is interface-controlled one- two- or three-dimensional growth with different nucleation rates. - Highlights: • Isothermal crystallization kinetics of Cu 50 Zr 50 metallic glass was investigated. • The relationship between the local activation energy E α and the crystallized volume fraction α were determined. • The nucleation activation energy E nucleation and grain growth activation energy E growth were obtained. • The local Avrami exponent n(α) was calculated in isothermal model.

  13. Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5

    Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew; Britten, James; Cranswick, Lachlan M.D.

    2010-01-01

    The synthesis, crystal, and magnetic structures and the bulk magnetic properties of Ca2FeCoO5, a brownmillerite type oxide, are presented. The crystal structure, solved and refined from single crystal X-ray and powder neutron diffraction data, is described in Pbcm with cell parameters, a = 5.3652(3), b = 11.0995(5), c = 14.7982(7) . Thus, one axis, b in this setting, is doubled in comparison with the standard brownmillerite structure description giving rise to two sets of octahedral and tetrahedral sites. Aided by the strong scattering contrast between Fe and Co for neutrons, a nearly perfect intralayer cation site ordering, not observed for any brownmillerite before, is detected in the tetrahedral layers. There is a lesser degree of cation site ordering in the octahedral sites. Overall, the Fe/Co site ordering is of the NaCl type both within and between the tetrahedral and octahedral layers. There are also both intra- and interlayer ordering of tetrahedral chain orientations. The left- and right-handed orientations alternate within each tetrahedral layer as well as between the closest tetrahedral layers. The occurrence of the rare Pbcm space group in Ca2FeCoO5 is not consistent with a recently proposed structure-field map for brownmillerite oxides. The magnetic structure is G-type antiferromagnetic, with preferred orientation of magnetic moments parallel to the longest axis between 3.8 K to 100 K which switches to the shortest axis between 225 K and 550 K. The neutron diffraction data indicate different site specific ordering temperatures at about 450(5) K and 555(5) K. The refined ordered moments at 3.8 K are somewhat smaller than expected for Fe3+ and Co3+(high spin) but are similar to those found in Sr2FeCoO5. There is evidence for spin canting from isothermal magnetization data that shows well pronounced hystereses and remnant magnetizations at 5 K and 200 K.

  14. Study of Fe-Ni-Cr-Mo-Si-B metallic glasses after neutron irradiation

    Sitek, J.; Miglierini, M.; Lipka, J.; Toth, I.

    1992-01-01

    Chromium containing metallic glasses are studied by transmission 57 Fe Moessbauer spectroscopy after neutron irradiation. Increasing number of non-magnetic chromium atoms causes a compositional dependence of Curie temperature. The unirradiated samples are fully paramagnetic for x≥10 at.% Cr at room temperature. Radiation induced changes in the magnetic structure imply a decrease of the Curie temperature. Ferromagnetic-to-paramagnetic transition is observed at room temperature for 8 at.% Cr after the exposure with 10 19 n/cm 2 . Using low temperature measurements, the Curie temperature for the sample containing 10 at.% Cr is estimated to be about 270 K. (orig.)

  15. Ionothermal synthesis and crystal structures of metal phosphate chains

    Wragg, David S.; Le Ouay, Benjamin; Beale, Andrew M.; O'Brien, Matthew G.; Slawin, Alexandra M.Z.; Warren, John E.; Prior, Timothy J.; Morris, Russell E.

    2010-01-01

    We have prepared isostructural aluminium and gallium phosphate chains by ionothermal reactions in 1-ethyl-3-methylimidazolium bromide and 1-ethylpyridinium bromide under a variety of conditions. The chains can be prepared as pure phases or along with three dimensional framework phases. The chains are favoured at shorter heating times and the crystallinity can be improved by addition of transition metal acetates and amines which are not included in the final structure. The chain can be prepared with or without the presence of hydrofluoric acid. - Graphical abstract: Chain structures prepared from ionic liquid solvents under a wide variety of synthesis conditions.

  16. Effect of heating rates of crystallization behaviour of amorphous Fe/sub 83/01/B/sub 17/ alloy

    Ashfaq, A.; Shamim, A.

    1993-01-01

    The electric resistivity of amorphous Fe/sub 83/01/B/sub 17/ alloy has been measured to study its crystallization behaviour from room temperature to about 900 K at the constant heating rates of 40, 60 and 80 K/hr. The crystallization temperature was observed to increase with the increase of heating g rate. However amorphous to crystalline path of RT-curve between the maximum and the minimum decreases with heating rate. The Resistivity Temperature (RT) curves exhibit different steps which are shown to correspond to the phase change stages of the alloy. The slope of the rt-curve after the previous step increases with the rise in heating rate and finally passes through a board peak and then rises again. From the peak shift dta of first crystallization stage activation energy was calculated by applying various peak shift equations. The values so obtained were in good agreement with those obtained with DSC measurement for (FeM)/sub 83/01/B/sub 17/ amorphous alloys where M=Mo, Ni, Cr, and V. (author)

  17. Crystal structure of (Na0.70(Na0.70,Mn0.30(Fe3+,Fe2+2Fe2+(VO43, a sodium-, iron- and manganese-based vanadate with the alluaudite-type structure

    Elhassan Benhsina

    2016-02-01

    Full Text Available The title compound, sodium (sodium,manganese triiron(II,III tris[vanadate(V], (Na0.70(Na0.70,Mn0.30(Fe3+,Fe2+2Fe2+(VO43, was prepared by solid-state reactions. It crystallizes in an alluaudite-like structure, characterized by a partial cationic disorder. In the structure, four of the 12 sites in the asymmetric unit are located on special positions, three on a twofold rotation axis (Wyckoff position 4e and one on an inversion centre (4b. Two sites on the twofold rotation axis are entirely filled by Fe2+ and V5+, whereas the third site has a partial occupancy of 70% by Na+. The site on the inversion centre is occupied by Na+ and Mn2+ cations in a 0.7:0.3 ratio. The remaining Fe2+ and Fe3+ atoms are statistically distributed on a general position. The three-dimensional framework of this structure is made up of kinked chains of edge-sharing [FeO6] octahedra stacked parallel to [10-1]. These chains are held together by VO4 tetrahedral groups, forming polyhedral sheets perpendicular to [010]. Within this framework, two types of channels extending along [001] are present. One is occupied by (Na+/Mn2+ while the second is partially occupied by Na+. The mixed site containing (Na+/Mn2+ has an octahedral coordination sphere, while the Na+ cations in the second channel are coordinated by eight O atoms.

  18. Lower-temperature crystallization of CoFeB in MgO magnetic tunnel junctions by using Ti capping layer

    Ibusuki, Takahiro; Miyajima, Toyoo; Umehara, Shinjiro; Eguchi, Shin; Sato, Masashige

    2009-01-01

    Effects of capping materials on magnetoresistance (MR) properties of MgO magnetic tunnel junctions (MTJs) with a CoFeB free layer were investigated. MR ratios of samples with various capping materials showed a difference in annealing temperature dependence. MTJ with a Ti capping layer annealed at 270 deg. C showed a MR ratio 1.4 times greater than that with a conventional Ta or Ru capping layer. Secondary ion mass spectroscopy and high-resolution transmission electron microscopy images revealed that crystallization of CoFeB was remarkably affected by adjacent materials and the Ti capping layer adjoining CoFeB acted as a boron-absorption layer. These results suggest that the crystallization process can be controlled by choosing proper capping materials. Ti is one of the effective materials that accelerate the crystallization of CoFeB layers at lower annealing temperature

  19. Direct selenylation of mixed Ni/Fe metal-organic frameworks to NiFe-Se/C nanorods for overall water splitting

    Xu, Bo; Yang, He; Yuan, Lincheng; Sun, Yiqiang; Chen, Zhiming; Li, Cuncheng

    2017-10-01

    Development of low-cost, highly active bifunctional catalyst for efficient overall water splitting based on earth-abundant metals is still a great challenging task. In this work, we report a NiFe-Se/C composite nanorod as efficient non-precious-metal electrochemical catalyst derived from direct selenylation of a mixed Ni/Fe metal-organic framework. The as-obtained catalyst requires low overpotential to drive 10 mA cm-2 for HER (160 mV) and OER (240 mV) in 1.0 M KOH, respectively, and its catalytic activity is maintained for at least 20 h. Moreover, water electrolysis using this catalyst achieves high water splitting current density of 10 mA cm-2 at cell voltage of 1.68 V.

  20. Effect of metal ion Fe(III on the performance of chlorophyll as photosensitizers on dye sensitized solar cell

    Harsasi Setyawati

    Full Text Available The energy crisis is a major problem facing the world today and will need a renewable energy source that is environmentally friendly; one of these is the dye sensitized solar cell (DSSC. DSSC is photochemical electric cell that can convert solar energy into electrical energy. This research aims to study the characteristics of chlorophyll compounds with the addition of metal ions Fe(III and to determine the effect of Fe(III on the performance of chlorophyll as a photosensitizer in the DSSC. The formation of complex compounds of Fe(III-chlorophyll is shown by the phenomenon of metal ligand charge transfer (MLCT at a wavelength of 263.00 nm and absorption transition d-d at 745.00 nm. Fourier transform infrared characterization of the binding of Fe-O complex compounds appears at 486.06 cm−1. The complex compound of Fe(III-chlorophyll has a magnetic moment value of 9.62 Bohr Magneton (BM. The existence of ion Fe(III in chlorophyll can improve the performance of chlorophyll as a dye sensitizer with a maximum current of 4.00 mA/cm2, maximum voltage of 0.18 volts and efficiency values of 1.35%. Keywords: Fe(III-chlorophyll, Dye sensitized solar cell, Metal ligand charge transfer, Photosensitizer

  1. Fabrication and magnetic-induced aggregation of Fe3O4–noble metal composites for superior SERS performances

    Gan, Zibao; Zhao, Aiwu; Zhang, Maofeng; Wang, Dapeng; Guo, Hongyan; Tao, Wenyu; Gao, Qian; Mao, Ranran; Liu, Erhu

    2013-01-01

    Fe 3 O 4 –noble metal composites were obtained by combining Au, Ag nanoparticles (NPs) with 3-aminopropyltrimethoxysilane-functionalized Fe 3 O 4 NPs. UV–Visible absorption spectroscopy demonstrates the obtained Fe 3 O 4 –noble metal composites inherit the typical surface plasmon resonance bands of Au, Ag at 533 and 453 nm, respectively. Magnetic measurements also indicated that the superparamagnetic Fe 3 O 4 –noble metal composites have excellent magnetic response behavior. A magnetic-induced idea was introduced to change their aggregated states and take full advantage of their surface-enhanced Raman scattering (SERS) performances. Under the induction of an external magnetic field, the bifunctional Fe 3 O 4 –noble metal aggregates exhibit the unique superiority in SERS detection of Rhodamine 6G (R6G), compared with the naturally dispersed Au, Ag NPs. Especially, the detection limit of the Fe 3 O 4 –Ag aggregates for R6G is as low as 10 −14  M, and the calculated EF reaches up to 1.2 × 10 6 , which meets the requirements for trace detection of analytes. Furthermore, the superiority could be extended to sensitive detection of other organic molecules, such as 4-mercaptopyridine. This work provides a new insight for active adjustment of the aggregated states of SERS substrates and the optimization of SERS performances

  2. Ternary mixed metal Fe-doped NiCo2O4 nanowires as efficient electrocatalysts for oxygen evolution reaction

    Yan, Kai-Li; Shang, Xiao; Li, Zhen; Dong, Bin; Li, Xiao; Gao, Wen-Kun; Chi, Jing-Qi; Chai, Yong-Ming; Liu, Chen-Guang

    2017-09-01

    Designing mixed metal oxides with unique nanostructures as efficient electrocatalysts for water electrolysis has been an attractive approach for the storage of renewable energies. The ternary mixed metal spinel oxides FexNi1-xCo2O4 (x = 0, 0.1, 0.25, 0.5, 0.75, 0.9, 1) have been synthesized by a facile hydrothermal approach and calcination treatment using nickel foam as substrate. Fe/Ni ratios have been proved to affect the nanostructures of FexNi1-xCo2O, which imply different intrinsic activity for oxygen evolution reaction (OER). SEM images show that Fe0.5Ni0.5Co2O4 has the uniform nanowires morphology with about 30 nm of the diameter and 200-300 nm of the length. The OER measurements show that Fe0.5Ni0.5Co2O4 exhibits the better electrocatalytic performances with lower overpotential of 350 mV at J = 10 mA cm-2. In addition, the smaller Tafel slope of 27 mV dec-1 than other samples with different Fe/Ni ratios for Fe0.5Ni0.5Co2O4 is obtained. The improved OER activity of Fe0.5Ni0.5Co2O4 may be attributed to the synergistic effects from ternary mixed metals especially Fe-doping and the uniform nanowires supported on NF. Therefore, synthesizing Fe-doped multi-metal oxides with novel nanostructures may be a promising strategy for excellent OER electrocatalysts and it also provides a facile way for the fabrication of high-activity ternary mixed metal oxides electrocatalysts.

  3. Interface properties of Fe/MgO/Cu-phthalocyanine metal-insulator-organic semiconductor structures

    Lee, Nyunjong; Bae, Yujeong; Kim, Taehee; Ito, Eisuke; Hara, Masahiko

    2014-01-01

    Hybrid interface structures consisting of organic copper-phthalocyanine (CuPc) and ferromagnetic metal Fe(001) with and without a MgO(001) cover were investigated by using surface sensitive techniques of X-ray photoemission spectroscopy and ultraviolet photoemission spectroscopy. A systematic study of the energy level alignment at the interfaces was carried out. For the hybrid interfaces considered here, our results indicate that the insertion of an artificially-grown ultra-thin oxide layer MgO(001) can prevent Femi level pinning and induce a rather large interface dipole, thereby resulting in remarkable CuPc Fermi level shifts when the thickness of the CuPc film is less than 3 nm. This study provides a better understanding of spin filtering in MgO-based organic spin devices and a new way to alter the interface electronic structure of metal/organic semiconductor hybrid systems.

  4. Competition of dipositive metal ions for Fe (III) binding sites in chelation therapy of Iron Load

    Rehmani, Fouzia S.

    2005-01-01

    Iron overload is a condition in which excessive iron deposited in the liver, kidney and spleen of human beings in the patients of beta thalassemia and sickle cell anemia. Instead of its importance iron could be toxic when in excess, it damages the tissues. For the treatment of iron overload, a drug desferrioxamine mesylate has been used. It is linear trihydroxamic acid, a natural siderophore produced by streptomyces which removes the extra iron from body. Salicylhydroxamate type siderphore. In present research salicylhydroxamate was used for the complexation with dipositive metal ions which are available in biological environments such as Mn (II), Co (II), Ni (II) and Cu (II). The aim of our work was to study the competition reactions between Fe (III) and other dipositive ions; to calculate the thermodynamic data of chelation of these metal ions complexes with hydroxamate by computer program and comparison with hydroxamate complexes. (author)

  5. L-shell photoabsorption spectroscopy for solid metals: Ti, V, Cr, Fe, Ni, Cu

    Del Grande, N.K.

    1989-01-01

    Synchrotron radiation measurements of near-threshold and broad-range (400--1500 eV) absolute photoabsorption cross sections were made for five transition metals with ±10% overall uncertainties. Fine structure details of 2p-3d autoionizing resonances are shown with better than 1.0 eV resolution for solid metals: Ti, V, Cr, Fe, Ni, and Cu. Fine structure similar to what we measured can be produced using a multi-configuration Dirac Fock (MCDF) model if a statistical distribution is assumed for the initial atomic states. Calculations were performed in intermediate coupling with configuration interactions by Mau H. Chen. The results are compared with other experimental work and theoretical methodologies. 18 refs., 7 figs

  6. Migration energy barriers of symmetric tilt grain boundaries in body-centered cubic metal Fe

    Wu, Minghui; Gu, Jianfeng; Jin, Zhaohui

    2015-01-01

    Graphical abstract: DFT calculated migration energy barrier (left) for symmetric grain boundary in metals is an essential physical property to measure the trend of grain boundary migration, in particular, in terms of the classical homogeneous nucleation model of GB dislocation/disconnection loops (right). - Migration energy barriers of two symmetric tilt grain boundaries in body-centered cubic metal Fe are obtained via first-principles calculations in combination with the nudged elastic band methods. Although the two grain boundaries show similar grain boundary energies, the migration energy barriers are different. Based on a homogeneous nucleation theory of grain-boundary dislocation loops, the calculated energy barrier provides a measure of intrinsic grain-boundary mobility and helps to evaluate effects due to vacancy and interstitial atoms such as carbon

  7. Influence of Li/Nb ratios on defect structure and photorefractive properties of Zn: In: Fe: LiNbO 3 crystals

    Dai, Li; Su, Yan-Qing; Wu, Shi-Ping; Guo, Jing-Jie; Xu, Chao; Xu, Yu-Heng

    2011-04-01

    A series of Zn: In: Fe: LiNbO3 crystals are grown by the Czochralski technique with various ratios of Li/Nb = 0.94, 1.05, 1.20 and 1.38 in the melt. The Zn, In, Fe, Nb and Li concentrations in the crystals are analyzed by inductively coupled plasma (ICP) spectrometry. The results indicate that with increasing the [Li]/[Nb] ratio in melt, [Li]/[Nb] ratio increases and goes up continuously in the crystal, the segregation coefficients of both Zn and In ions decrease. The absorption spectra measurement and two-wave coupling experiment are employed to study the effect of [Li]/[Nb] ratio on photorefractive properties of Zn: In: Fe: LiNbO3 crystals. It is found that the [Li]/[Nb] ratio increases, the write time is shortened and the photorefractive sensitivity is improved.

  8. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  9. Nucleation and growth of a BCC Fe phase deposited on a single crystal (001) Cu film

    Koike, J.

    1991-01-01

    As a thin film overlayer grows on a substrate with a different structure, the overlayer initially adopts the substrate structure and subsequently transforms to an equilibrium bulk structure. such a growth characteristic has been extensively studied in Fe/Cu bicrystals. An Fe overlayer grown on a Cu substrate is known to have the fcc structure up to a thickness of 2 nm, whereas a thicker Fe overlayer consists of submicrometer grains of the bcc-Cu has been reported in a relatively thick Fe film and was found to consist of the Nishiyama (N), Kurdjumov-Sacks (KS), or Pitsch (P), depending on the orientation of the substrate surface. However, previous studies have not explained how the bcc structure nucleates or how the observed submicrometer polycrystalline grains form. The paper provides an understanding of these two points. Transmission electron microscopy (TEM) was used to study Fe/Cu bicrystals as the Fe thickness was varied systematically. Analysis of moire fringes, which are caused by superposition of different structures, enabled us to determine the orientation relationship between the very thin Fe layer and the Cu substrate. We show that a single variant of the P orientation relationship, which accompanies atomic rearrangement parallel to the interface, predominates at the nucleation stage of the bcc structure. Nucleation of other variants of P, N, and KS occurs with increasing Fe thickness and causes the formation of the submicrometer bcc grains

  10. Electrochemical vs X-ray Spectroscopic Measurements of NiFe(CN)6 Crystals

    Peecher, Benjamin; Hampton, Jennifer

    Pseudocapacitive materials like hexacyanoferrate have greater energy storage capabilities than standard capacitors while maintaining an ability to charge and discharge quickly. We modify the surface of an electrodeposited Ni thin film with a layer of hexacyanoferrate. Charging and discharging these modified films using cyclic voltammetry (CV) allows us to measure the electrochemically active Fe in the film. To determine how closely this resembles the full amount of Fe in the film, we measure the films' composition using particle-induced x-ray emission (PIXE). We also vary the amount of Ni deposited, both to compare the electrolysis value of charge deposited to the PIXE measurement of Ni in the film, and also to measure how varying the thickness of the Ni surface affects the presence of Fe in the film. Comparisons of the CV and PIXE measurements show agreement in Ni levels but disagreement in Fe levels. PIXE measurements of Fe in the film have positive correlation with Ni in the film. This correlation between PIXE measurements of Ni and Fe suggests that PIXE provides a reliable measure of Fe in the film. This implies that a variable proportion of total Fe in a given film is electrochemically active. This research was made possible by the Hope College Department of Physics Frissel Research Fund and the National Science Foundation under Grants RUI-DMR-1104725, MRI-CHE-0959282, and MRI/RUI-PHY-0319523.

  11. In-plane electronic anisotropy of underdoped '122' Fe-arsenide superconductors revealed by measurements of detwinned single crystals

    Fisher, I R; Shen, Z X; Degiorgi, L

    2011-01-01

    The parent phases of the Fe-arsenide superconductors harbor an antiferromagnetic ground state. Significantly, the Neel transition is either preceded or accompanied by a structural transition that breaks the four-fold symmetry of the high-temperature lattice. Borrowing language from the field of soft condensed matter physics, this broken discrete rotational symmetry is widely referred to as an Ising nematic phase transition. Understanding the origin of this effect is a key component of a complete theoretical description of the occurrence of superconductivity in this family of compounds, motivating both theoretical and experimental investigation of the nematic transition and the associated in-plane anisotropy. Here we review recent experimental progress in determining the intrinsic in-plane electronic anisotropy as revealed by resistivity, reflectivity and angle-resolved photoemission spectroscopy measurements of detwinned single crystals of underdoped Fe-arsenide superconductors in the '122' family of compounds.

  12. In-Plane Electronic Anisotropy of Underdoped ___122___ Fe-Arsenide Superconductors Revealed by Measurements of Detwinned Single Crystals

    Fisher, Ian Randal

    2012-05-08

    The parent phases of the Fe-arsenide superconductors harbor an antiferromagnetic ground state. Significantly, the Neel transition is either preceded or accompanied by a structural transition that breaks the four fold symmetry of the high-temperature lattice. Borrowing language from the field of soft condensed matter physics, this broken discrete rotational symmetry is widely referred to as an Ising nematic phase transition. Understanding the origin of this effect is a key component of a complete theoretical description of the occurrence of superconductivity in this family of compounds, motivating both theoretical and experimental investigation of the nematic transition and the associated in-plane anisotropy. Here we review recent experimental progress in determining the intrinsic in-plane electronic anisotropy as revealed by resistivity, reflectivity and ARPES measurements of detwinned single crystals of underdoped Fe arsenide superconductors in the '122' family of compounds.

  13. Crystal and magnetic structure of TbFe{sub 0.25}Ge{sub 2} compound

    Gil, A., E-mail: a.gil@ajd.czest.pl [Faculty of Mathematics and Natural Sciences, Jan Długosz University in Częstochowa, Armii Krajowej 13/15, 42-200 Częstochowa (Poland); Hoser, A. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14-109 Berlin (Germany); Penc, B.; Szytuła, A. [M. Smoluchowski Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland)

    2013-10-15

    The crystal and magnetic structure of polycrystalline TbFe{sub 0.25}Ge{sub 2} sample have been determined. X-ray and neutron diffraction studies indicate that this compound has the orthorhombic CeNiSi{sub 2}-type crystal structure (space group Cmcm). The magnetic ordering, based on the neutron diffraction data in low temperature, is described by two components: a collinear antiferromagnetic G-type and a cosine-wave modulated one. In the collinear G-type structure the Tb magnetic moment is equal to 3.81(5) µ{sub B} and it is parallel to the c-axis. The modulated structure is described by the propagation vector k=(0.460(8), 0, 0.305(1)), the Tb magnetic moment equals 7.75(8) µ{sub B,} lies in b–c and forms an angle 23(2)° with the c-axis. The collinear component decreases to zero at 22.6 K while the modulated one at 190.8 K. - Highlights: • We determine crystal and magnetic structure of TbFe{sub 0.25}Ge{sub 2} compound. • We compare the results with other TbT{sub x}Ge{sub 2} compounds. • We observe the complex magnetic structure in TbFe{sub 0.25}Ge{sub 2} with two components: collinear and cosine-wave modulated. • T (3d) element have got significant influence on the interactions in Tb sublattice.

  14. Phase formation and crystallization behavior of melt spun Sm-Fe-based alloys

    Shield, J.E.

    1999-01-01

    The phase formation and microstructures of Sm-Fe alloys have been investigated at Sm levels of 11 and 17 atomic percent and with alloying additions of Ti and C. At lower Sm content, virtually phase pure SmFe 7 formed, while higher Sm content resulted in the formation of SmFe 7 , SmFe 2 and amorphous phases. The addition of Ti and C resulted in greater stability and a larger volume fraction of the amorphous phase. The binary Sm-Fe alloys at both Sm levels had tremendously variable microstructures, with large discrepancies in grain size and phase distribution from region to region. The addition of Ti and C tended to result in a more homogeneous microstructure, as well as a refinement in the microstructural scale. (orig.)

  15. Crystal structure and magnetism of Fe2(OH)[B2O4(OH)

    Kurayoshi, Yotaro; Hara, Shigeo; Sato, Hirohiko

    2014-01-01

    The structure and magnetism of Fe2(OH)[B2O4(OH)] are reported. Powder x-ray diffraction reveals a characteristic structure containing two crystallographically independent zigzag-ladder chains of magnetic Fe2+ ions. Magnetization measurements reveal a phase transition at 85 K, below which a weak...... spontaneous magnetization (approximate to 0.15 μB/Fe) appears. Below 85 K, magnetization increases with decreasing temperature down to 70 K, below which it decreases and approaches a constant value at low temperature. The Mossbauer spectrum at room temperature is composed of two paramagnetic doublets...... corresponding to the two crystallographic Fe2+ sites. Below 85 K, each doublet undergoes further splitting because of the magnetic hyperfine fields. The temperature dependence of the hyperfine field is qualitatively different for the two distinguishable Fe2+ sites. This is responsible for the anomalous...

  16. Formation of centimeter Fe-based bulk metallic glasses in low vacuum environment

    Pan Jie; Chen Qi; Li Ning [State Key Lab of Materials Processing and Mould Technology, Department of Materials Science and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China); Liu Lin [State Key Lab of Materials Processing and Mould Technology, Department of Materials Science and Technology, Huazhong University of Science and Technology, 430074 Wuhan (China)], E-mail: lliu2000@public.wh.hb.cn

    2008-09-08

    The formation of a Fe{sub 43.7}Co{sub 7.3}Cr{sub 14.7}Mo{sub 12.6}C{sub 15.5}B{sub 4.3}Y{sub 1.9} bulk metallic glass (BMG) was attempted in low vacuum environment and in air using commercial raw materials. The glass forming ability of the Fe-based alloys was studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and differential thermal analyzer (DTA). It was found that cylindric rods with diameters ranging from 10 mm to 5 mm could be successfully fabricated by copper-mold casting in the pressures from 1.5 Pa to 10{sup 5} Pa (10{sup 5} Pa = 1 atm). All BMGs exhibit a distinct glass transition and wide supercooled liquid region. The preparation condition seems not significantly affected by the thermodynamic parameters of BMG, such as supercooled liquid region, glass transition temperature and melting process. The oxygen content of the alloys prepared in different vacuum conditions was measured by a LECO oxygen analyzer, which revealed that the oxygen content was less than 100 ppm for all BMGs prepared, even in air. The good glass forming ability and excellent oxidation resistance for the present Fe-based alloy are discussed.

  17. Redox Dynamics of Mixed Metal (Mn, Cr, and Fe) Ultrafine Particles

    Nico, Peter S.; Kumfer, Benjamin M.; Kennedy, Ian M.; Anastasio, Cort

    2008-08-01

    The impact of particle composition on metal oxidation state, and on changes in oxidation state with simulated atmospheric aging, are investigated experimentally in flame-generated nanoparticles containing Mn, Cr, and Fe. The results demonstrate that the initial fraction of Cr(VI) within the particles decreases with increasing total metal concentration in the flame. In contrast, the initial Mn oxidation state was only partly controlled by metal loading, suggesting the importance of other factors. Two reaction pathways, one reductive and one oxidative, were found to be operating simultaneously during simulated atmospheric aging. The oxidative pathway depended upon the presence of simulated sunlight and O{sub 3}, whereas the reductive pathway occurred in the presence of simulated sunlight alone. The reductive pathway appears to be rapid but transient, allowing the oxidative pathway to dominate with longer aging times, i.e. greater than {approx}8 hours. The presence of Mn within the particles enhanced the importance of the oxidative pathway, leading to more net Cr oxidation during aging implying that Mn can mediate oxidation by removal of electrons from other particulate metals.

  18. Stabilized chitosan/Fe(0)-nanoparticle beads to remove heavy metals from polluted sediments.

    Liu, T; Sun, Y; Wang, Z L

    2016-01-01

    Sediment contamination by heavy metals has become a widespread problem that can affect the normal behaviors of rivers and lakes. After chitosan/Fe(0)-nanoparticles (CS-NZVI) beads were cross-linked with glutaraldehyde (GLA), their mechanical strength, stability and separation efficiency from the sediment were obviously improved. Moreover, the average aperture size of GLA-CS-NZVI beads was 20.6 μm and NZVI particles were nearly spherical in shape with a mean diameter of 40.2 nm. In addition, the pH showed an insignificant effect on the removal rates from the sediment. Due to the dissolution of metals species into aqueous solutions as an introduction of the salt, the removal rates of all heavy metals from the sediment were increased with an increase of the salinity. The competitive adsorption of heavy metals between the sediment particles and GLA-CS-NZVI beads became stronger as the sediment particles became smaller, leading to decreased removal rates. Therefore, the removal efficiency could be enhanced by optimizing experimental conditions and choosing appropriate materials for the target contaminants.

  19. Detailed single crystal EPR lineshape measurements for the single molecule magnets Fe8Br and Mn12-ac

    Hill, S.; Maccagnano, S.; Park, K.; Achey, R. M.; North, J. M.; Dalal, N. S.

    2001-01-01

    It is shown that our multi-high-frequency (40-200 GHz) resonant cavity technique yields distortion-free high field EPR spectra for single crystal samples of the uniaxial and biaxial spin S = 10 single molecule magnets (SMMs) [Mn12O12(CH3COO)16(H2O)4].2CH3COOH.4H2O and [Fe8O2(OH)12(tacn)6]Br8.9H2O. The observed lineshapes exhibit a pronounced dependence on temperature, magnetic field, and the spin quantum numbers (Ms values) associated with the levels involved in the transitions. Measurements ...

  20. Structure and magnetic properties of the 3d transition-metal mono-borides TM–B (TM=Mn, Fe, Co) under pressures

    Bourourou, Y.; Beldi, L.; Bentria, B.; Gueddouh, A.; Bouhafs, B.

    2014-01-01

    In this paper, spin-polarization and pressure effects on the structural and electronic properties of the 3d transition-metal mono-borides TM–B (TM=Mn, Fe, Co) have been studied by using both local spin-density approximation (LSDA) and generalized gradient approximation (GGA) within the framework of density-functional theory (DFT). At equilibrium, spin-polarization calculations show that MnB and FeB compounds carry magnetic moment. The non-spin-polarization results show that the non-magnetic state is unstable for MnB and FeB compounds, but a stable non-magnetic phase for CoB compound, which is discussed in the framework of the well-known Stoner criterion. The calculated lattice parameters, bulk moduli, their first-pressure derivatives and magnetic moments agree well with experimental and other theoretical results. Significant differences in volume and in bulk modulus were found between the magnetic and non-magnetic case reached 4%, 22%, respectively. The effect of pressure on the crystal structure reflects in a compression of the unit cell volume with a decreasing in the magnetic moment. The density of states of MnB and FeB ferromagnetic compounds are significantly modified under high pressures. The exchange energy decreases with increasing pressure, at approximately V/V 0 =0.6, the exchange energy becomes absent in ferromagnetic compounds causes mirror in upper and lowers half panels. Finally, we notice that spin-polarization and pressure play a crucially important role in determining the electronic and structural properties of 3d transition-metal mono-borides. - Highlights: • Spin polarization and pressure effects on TM–B (TM=Mn, Fe, Co) have been investigated. • The non-spin-polarization results show that the non-magnetic state is stable for CoB. • The magnetic states of MnB and FeB are found more stable than their nonmagnetic states. • We report significant differences between the magnetic and non-magnetic cases. • The density of states of MnB and

  1. A temperature dependent tunneling study of the spin density wave gap in EuFe2As2 single crystals.

    Dutta, Anirban; Anupam; Hossain, Z; Gupta, Anjan K

    2013-09-18

    We report temperature dependent scanning tunneling microscopy and spectroscopy measurements on single crystals of EuFe2As2 in the 15-292 K temperature range. The in situ cleaved crystals show atomic terraces with homogeneous tunnel spectra that correlate well with the spin density wave (SDW) transition at a temperature, TSDW ≈ 186 K. Above TSDW the local tunnel spectra show a small depression in the density of states (DOS) near the Fermi energy (EF). The gap becomes more pronounced upon entering the SDW state with a gap value ∼90 meV at 15 K. However, the zero bias conductance remains finite down to 15 K indicating a finite DOS at the EF in the SDW phase. Furthermore, no noticeable change is observed in the DOS at the antiferromagnetic ordering transition of Eu(2+) moments at 19 K.

  2. Effect of excess supply of heavy metals on the absorption and translocation of iron (/sup 59/Fe) in barley

    Sharma, C P; Bisht, S S; Agarwala, S C [Lucknow Univ. (India). Dept. of Botany

    1978-03-01

    The effects of an excess supply of manganese, copper, zinc, cobalt, and nickel on the absorption and translocation of iron tagged with /sup 59/Fe were xamined in 15 days old barley seedlings raised in solution culture. Excess heavy metal treatments and /sup 59/Fe were administered in three different ways: (i) both excess heavy metals and iron supplied through roots- Series A; (ii) excess heavy metal supplied as foliar spray and iron through roots- Series B; and (iii) excess heavy metal supplied through roots and iron as foliar spray-Series C. Results obtained revealed that excess concentrations of manganese, zinc, cobalt, and a to a lesser extent copper interfered with the absorption of iron from the rooting medium, but excess nickel enhanced the absorption and translocation of iron. Thus, unlike other metals, a toxic supply of nickel does not induce iron deficiency.

  3. Fe3O4 and metal-organic framework MIL-101(Fe) composites catalyze luminol chemiluminescence for sensitively sensing hydrogen peroxide and glucose.

    Qian Tang, Xue; Dan Zhang, Yi; Wei Jiang, Zhong; Mei Wang, Dong; Zhi Huang, Cheng; Fang Li, Yuan

    2018-03-01

    In this work, Fe 3 O 4 and metal-organic framework MIL-101(Fe) composites (Fe 3 O 4 /MIL-101(Fe)) was demonstrated to possess excellent catalytic property to directly catalyze luminol chemiluminescence without extra oxidants. We utilized Fe 3 O 4 /MIL-101(Fe) to develop a ultra-sensitive quantitative analytical method for H 2 O 2 and glucose. The possible mechanism of the chemiluminescence reaction had been investigated. Under optimal conditions, the relative chemiluminescence intensity was linearly proportional to the logarithm of H 2 O 2 concentration in the range of 5-150nM with a limit of detection of 3.7nM (signal-to-noise ratio = 3), and glucose could be linearly detected in the range from 5 to 100nM and the detection limit was 4.9nM (signal-to-noise ratio = 3). Furthermore, the present approach was successfully applied to quantitative determination of H 2 O 2 in medical disinfectant and glucose in human serum samples. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

    Kalezic-Glisovic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: aleksandrakalezic@eunet.yu; Novakovic, L. [Faculty of Physics, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Maricic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro); Minic, D. [Faculty of Physical Chemistry, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Mitrovic, N. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: nmitrov@tfc.kg.ac.yu

    2006-07-15

    The differential scanning calorimetry method was used for investigating the crystallization process of the Fe{sub 89.8}Ni{sub 1.5}Si{sub 5.2}B{sub 3}C{sub 0.5} amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K.

  5. Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

    Kalezic-Glisovic, A.; Novakovic, L.; Maricic, A.; Minic, D.; Mitrovic, N.

    2006-01-01

    The differential scanning calorimetry method was used for investigating the crystallization process of the Fe 89.8 Ni 1.5 Si 5.2 B 3 C 0.5 amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K

  6. Ductility prediction of substrate-supported metal layers based on rate-independent crystal plasticity theory

    Akpama Holanyo K.

    2016-01-01

    Full Text Available In this paper, both the bifurcation theory and the initial imperfection approach are used to predict localized necking in substrate-supported metal layers. The self-consistent scale-transition scheme is used to derive the mechanical behavior of a representative volume element of the metal layer from the behavior of its microscopic constituents (the single crystals. The mechanical behavior of the elastomer substrate follows the neo-Hookean hyperelastic model. The adherence between the two layers is assumed to be perfect. Through numerical results, it is shown that the limit strains predicted by the initial imperfection approach tend towards the bifurcation predictions when the size of the geometric imperfection in the metal layer vanishes. Also, it is shown that the addition of an elastomer layer to a metal layer enhances ductility.

  7. Effect of Y addition on crystallization behavior and soft-magnetic properties of Fe{sub 78}Si{sub 9}B{sub 13} ribbons

    Zhanwei, Liu; Dunbo, Yu, E-mail: yudb2008@126.com; Kuoshe, Li; Yang, Luo; Chao, Yuan; Zilong, Wang; Liang, Sun; Kuo, Men

    2017-08-15

    Highlights: • Thermal stability of Fe-Si-B amorphous alloy is enhanced by Y addition. • Y addition can improve soft magnetic properties of Fe-Si-B amorphous alloy. • Decomposition of metastable Fe{sub 3}B phase is related to Y content in Fe-Si-B matrix. - Abstract: A series of amorphous Fe-Si-B ribbons with various Y addition were prepared by melt-spinning. The effect of Y addition on crystallization behavior, thermal and magnetic properties was systematically investigated. With the increase of Y content, the initial crystallization temperature shifted to a higher temperature, indicating that the thermal stability of amorphous state in Fe-Si-B-Y ribbon is enhanced compared to that of Fe-Si-B alloy. Meanwhile, compared to the two exothermic peaks in the samples with lower Y content, a new exothermic peak was found in the ribbons with Y content higher than 1 at%, which corresponded to the decomposition of metastable Fe{sub 3}B phase. Among all the alloys, Fe{sub 76.5}Si{sub 9}B{sub 13}Y{sub 1.5} alloy exhibits optimized magnetic properties, with high saturation magnetization M{sub s} of 187 emu/g and low coercivity H{sub cJ} of 7.6 A/m.

  8. Preparation and characterization of Fe-based bulk metallic glasses in plate form

    Lavorato, G.C.; Fiore, G.; Castellero, A.; Baricco, M.; Moya, J.A.

    2012-01-01

    Amorphous alloys with composition (at%) Fe 48 Cr 15 Mo 14 C 15 B 6 Gd 2 (alloy A) and Fe 48 Cr 15 Mo 14 C 15 B 6 Y 2 (alloy B) were prepared either using pure elements (A and B1) and a commercial AISI430 steel as a base material (B2). When prepared from pure elements both alloys (A and B1) could be cast in plate form with a fixed thickness of 2 mm and variable lengths between 10 and 20 mm by means of copper-mold injection in air atmosphere. In the case of alloy B2, prepared using commercial grade raw materials, rods of 2 mm diameter were obtained. X-ray diffraction and scanning electron microscopy observations confirmed that an amorphous structure was obtained in all the as-cast samples. A minor fraction of crystalline phases (oxides and carbides) was detected on the as-cast surface. Differential scanning calorimetry measurements showed a glass transition temperature at 856 K for alloy A and 841 K for alloy B1, and an onset crystallization temperature of 887 K for alloy A and 885 K for alloy B1. In the case of alloy B2 a slightly different crystallization sequence was observed. Values of hardness (∼13 GPa) and the Young modulus (∼180 GPa) were measured by nanoindentation for both the alloys. The effects of adverse casting conditions (such as air atmosphere, non-conventional injection copper mold casting and partial replacement of pure elements with commercial grade raw materials) on the glass formation and properties of the alloy are discussed.

  9. Preparation and characterization of Fe-based bulk metallic glasses in plate form

    Lavorato, G.C. [INTECIN (FIUBA-CONICET), Paseo Colon 850, Capital Federal (Argentina); Dipartimento di Chimica IFM and NIS, Universita di Torino, Torino (Italy); Fiore, G.; Castellero, A.; Baricco, M. [Dipartimento di Chimica IFM and NIS, Universita di Torino, Torino (Italy); Moya, J.A., E-mail: jmoya.fi.uba@gmail.com [IESIING, Facultad de Ingenieria e Informatica, UCASAL, Salta (Argentina); CONICET (Argentina)

    2012-08-15

    Amorphous alloys with composition (at%) Fe{sub 48}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Gd{sub 2} (alloy A) and Fe{sub 48}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Y{sub 2} (alloy B) were prepared either using pure elements (A and B1) and a commercial AISI430 steel as a base material (B2). When prepared from pure elements both alloys (A and B1) could be cast in plate form with a fixed thickness of 2 mm and variable lengths between 10 and 20 mm by means of copper-mold injection in air atmosphere. In the case of alloy B2, prepared using commercial grade raw materials, rods of 2 mm diameter were obtained. X-ray diffraction and scanning electron microscopy observations confirmed that an amorphous structure was obtained in all the as-cast samples. A minor fraction of crystalline phases (oxides and carbides) was detected on the as-cast surface. Differential scanning calorimetry measurements showed a glass transition temperature at 856 K for alloy A and 841 K for alloy B1, and an onset crystallization temperature of 887 K for alloy A and 885 K for alloy B1. In the case of alloy B2 a slightly different crystallization sequence was observed. Values of hardness ({approx}13 GPa) and the Young modulus ({approx}180 GPa) were measured by nanoindentation for both the alloys. The effects of adverse casting conditions (such as air atmosphere, non-conventional injection copper mold casting and partial replacement of pure elements with commercial grade raw materials) on the glass formation and properties of the alloy are discussed.

  10. The interface of the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2

    Nazir, S.

    2010-11-05

    The electronic and magnetic properties of the cubic pyriteCoS2/FeS2interface are studied using the all-electron full-potential linearized augmented plane wave method. We find that this contact between a ferromagneticmetal and a nonmagnetic semiconductor shows a metallic character. The CoS2 stays close to half-metallicity at the interface, while the FeS2 becomes metallic. The magnetic moment of the Co atoms at the interface slightly decreases as compared to the bulk value and a small moment is induced on the Fe atoms. Furthermore, at the interfaceferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering.

  11. Technique for recovering rare-earth metals from spent sintered Nd-Fe-B magnets without external heating

    Ryo Sasai

    2016-06-01

    Full Text Available To selectively recover rare-earth metals with higher purity from spent sintered Nd-Fe-B magnets without external heating, we investigated the mechano-chemical treatment of spent sintered Nd-Fe-B magnet powder with a reaction solution of HCl and (COOH2 at room temperature. The results of various experiments showed that the mechano-chemical treatment with HCl and (COOH2 is very effective for recovering the rare-earth metals contained in spent sintered Nd-Fe-B magnet powder; the recovery rate and purity of the rare-earth metals were 95.3 and 95.0 mass%, respectively, under optimal conditions ([HCl] = 0.2 mol/dm3 and [(COOH2] = 0.25 mol/dm3.

  12. Metal-carbon nanosystem IR-PVA/Fe-Co for catalysis in the Fischer-Tropsch synthesis

    Vasilev, A A; Dzidziguri, E L; Ivantsov, M I; Efimov, M N

    2016-01-01

    Metal-carbon nanosystems consisting of nanodimensional bimetallic particles of Fe- Co dispersed in a carbon matrix for the Fischer-Tropsch synthesis were studied. Prepared metal-carbon nanopowders samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). It was shown formation of FeCo nanoparticles with body-centered cubic structures started at 400 °C. FeCo nanoparticles have spherical form, the mean size is 7 - 12 nm and uniform distribution in a carbon matrix. The metal-carbon nanosystem demonstrates a catalytic activity in the Fischer- Tropsch synthesis. The maximum yield of liquid hydrocabons C 5+ was 92 g/m 3 while the selectivity for the target product - 35%. (paper)

  13. Effect of Fe2O3 on the crystallization behavior of glass-ceramics produced from naturally cooled yellow phosphorus furnace slag

    Liu, Hong-pan; Huang, Xiao-feng; Ma, Li-ping; Chen, Dan-li; Shang, Zhi-biao; Jiang, Ming

    2017-03-01

    CaO-Al2O3-SiO2 (CAS) glass-ceramics were prepared via a melting method using naturally cooled yellow phosphorus furnace slag as the main raw material. The effects of the addition of Fe2O3 on the crystallization behavior and properties of the prepared glass-ceramics were studied by differential thermal analysis, X-ray diffraction, and scanning electron microscopy. The crystallization activation energy was calculated using the modified Johnson-Mehl-Avrami equation. The results show that the intrinsic nucleating agent in the yellow phosphorus furnace slag could effectively promote the crystallization of CAS. The crystallization activation energy first increased and then decreased with increasing amount of added Fe2O3. At 4wt% of added Fe2O3, the crystallization activation energy reached a maximum of 676.374 kJ·mol-1. The type of the main crystalline phase did not change with the amount of added Fe2O3. The primary and secondary crystalline phases were identified as wollastonite (CaSiO3) and hedenbergite (CaFe(Si2O6)), respectively.

  14. A Dilute-Limit Heat of Solution of 3d Transition Metals in Iron Studied with 57Fe Moessbauer Spectroscopy

    Chojcan, Jan

    2004-01-01

    The room-temperature 57 Fe Moessbauer spectra for binary iron-based solid solutions Fe 1-x D x with D=V, Cr, Mn and Co, were analysed in terms of binding energy E b between two D atoms in the Fe-D system. The extrapolated values of E b for x=0 were used for computation of the dilute-limit heat of solution of D metals in iron. The results were compared with those derived from calorimetric data concerning the heat of formation of the systems mentioned as well as with those resulting from the Miedema's model of alloys. The comparison shows that our Moessbauer spectroscopy findings are in a qualitative agreement with the available calorimetric data and they are at variance with corresponding Miedema's values for Fe-Mn and Fe-Co systems.

  15. Topotactic Metal-Insulator Transition in Epitaxial SrFeO x Thin Films

    Khare, Amit; Shin, Dongwon; Yoo, Tae Sup; Kim, Minu; Kang, Tae Dong

    2017-01-01

    Multivalent transition metal oxides provide fascinating and rich physics related to oxygen stoichiometry. In particular, the adoptability of various valence states of transition metals enables perovskite oxides to display mixed (oxygen) ionic and electronic conduction and catalytic activity useful in many practical applications, including solid-oxide fuel cells (SOFCs), rechargeable batteries, gas sensors, and memristive devices. For proper realization of the ionic conduction and catalytic activity, it is essential to understand the reversible oxidation and reduction process, which is governed by oxygen storage/release steps in oxides. Topotactic phase transformation facilitates the redox process in perovskites with specific oxygen vacancy ordering by largely varying the oxygen concentration of a material without losing the lattice framework. The concentration and diffusion of oxide ions (O 2– ), the valence state of the transition metal cations, and the thermodynamic structural integrity together provide fundamental understanding and ways to explicitly control the redox reaction.[6] In addition, it offers an attractive route for tuning the emergent physical properties of transition metal oxides, via strong coupling between the crystal lattice and electronic structure.

  16. Half-metallic ferromagnetism in Fe-doped Zn3P2 from first-principles calculations

    Jaiganesh, G.; Jaya, S. Mathi

    2014-01-01

    Using the first-principles calculations based on the density functional theory, we have studied the magnetism and electronic structure of Fe-doped Zinc Phosphide (Zn 3 P 2 ). Our results show that the half-metallic ground state and ferromagnetic stability for the small Fe concentrations considered in our study. The stability of the doped material has been studied by calculating the heat of formation and analyzing the minimum total energies in nonmagnetic and ferromagnetic phases. A large value of the magnetic moment is obtained from our calculations and our calculation suggests that the Fe-doped Zn 3 P 2 may be a useful material in semiconductor spintronics

  17. Studies on the crystallization of a metal glass by ferromagnetic resonance

    Rodrigues, R.W.D.

    1983-01-01

    The crystallization of the metal glass METGLAS 2826A has been studied with the ferromagnetic resonance technique. The first-derivative linewidth of the absorption curve was measured for several times and temperatures of isothermal treatments, in the range 350 0 C - 375 0 C. After an initial decrease, attributed to stress relaxation, the linewidth increases linearly with the transformed fraction of the first crystallization phase. The measured apparent activation energy for this first phase is 306 KJ/mol. The experimental results for larger aging times show that, for all aging temperature, the second crystallization phase starts to form when the transformed fraction of the first phase is of the order of 50%. (Author) [pt

  18. Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

    Bertaina, S.; Shim, J. H.; Gambarelli, S.; Malkin, B. Z.; Barbara, B.

    2009-11-01

    Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several μs) and the Rabi frequency ΩR is anisotropic. Here, we present a study of the variations of ΩR(H→0) with the magnitude and direction of the static magnetic field H→0 for the odd Er167 isotope in a single crystal CaWO4:Er3+. The hyperfine interactions split the ΩR(H→0) curve into eight different curves which are fitted numerically and described analytically. These “spin-orbit qubits” should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

  19. Crystallization of Cu60Ti20Zr20 metallic glass with and without pressure

    Jiang, Jianzhong; Yang, B.; Saksl, K.

    2003-01-01

    Structural stability of a Cu60Ti20Zr20 metallic glass under-pressure up to 4.5 GPa was investigated by x-ray diffraction. The sample exhibited a supercooled liquid region of 33 K and a ratio of the glass-transition temperature to the liquidus temperature of 0.63. The glass crystallized in two......, structure crystalline phase with a spacing group P6(3)/mmc (194) and lattice parameters a = 5.105 Angstrom and c = 8.231 Angstrom. Both crystallization temperatures increased with pressure having a slope of 19 K/GPa. The increase of the first crystallization temperature with increasing pressure in the glass...... can be explained by the suppression of atomic mobility. No significant structural change was detected in the Cu60Ti20Zr20 glass annealed,in vacuum at 697 K for I h as compared to the as-prepared sample from x-ray diffraction. measurements....

  20. Influence of metal induced crystallization parameters on the performance of polycrystalline silicon thin film transistors

    Pereira, L.; Barquinha, P.; Fortunato, E.; Martins, R.

    2005-01-01

    In this work, metal induced crystallization using nickel was employed to obtain polycrystalline silicon by crystallization of amorphous films for thin film transistor applications. The devices were produced through only one lithographic process with a bottom gate configuration using a new gate dielectric consisting of a multi-layer of aluminum oxide/titanium oxide produced by atomic layer deposition. The best results were obtained for TFTs with the active layer of poly-Si crystallized for 20 h at 500 deg. C using a nickel layer of 0.5 nm where the effective mobility is 45.5 cm 2 V -1 s -1 . The threshold voltage, the on/off current ratio and the sub-threshold voltage are, respectively, 11.9 V, 5.55x10 4 and 2.49 V/dec

  1. Magnetism and metal insulator transition in FeSi and FeGe. Ab Initio investigations of the electronic structure; Magnetismus und Metall-Isolator-Uebergang in FeSi und FeGe. Ab-initio-Untersuchungen der elektronischen Struktur

    Neef, Matthias

    2007-03-19

    Aim of this thesis was to reach by a systematic study of different ab initio procedures an improved description of the electronic properties of FeSi and FeGe. Central result is the itinerant description of FeSi as a semiconductor in the neighbourhood of a ferromagnetic instability. The regardment of the nonlocal exchange in the effective one-particle approximation leads to a metastable magnetic state scarcely above the magnetic ground state. The application of the hybrid functional leads to a 1st order metal-isolator transition for large lattice parameters: FeSi transforms at increasement of the lattice parameter from an unmagnetic isolator to a magnetic metal. A similar behavior is found in the isostructural compound FeGe. The two systems FeSi and FeGe were systematically and detailedly analyzed by means of ab initio procedures. Thereby the structural, electronic, and magnetic properties were studied with DFT and HF calculations. Both calculations with spin polarization and without spin polarization were performed.

  2. Pressure effect on crystallization temperature in Zr70Pd30 metallic glass

    Jiang, Jianzhong; Jeppesen, S; Saida, J.

    2004-01-01

    The pressure effect on amorphous-to-quasicrystalline-to-intermetallic phase transformations in a Zr70Pd30 metallic glass has been investigated by in situ x-ray diffraction measurements using synchrotron radiation. It is found that the glass crystallizes in two steps: (1) amorphous...... temperature for the formation of quasicrystals has been further discussed with the nucleation theory. ©2004 American Institute of Physics....

  3. Effect of electrolyte composition and deposition current for Fe/Fe-P electroformed bilayers for biodegradable metallic medical applications

    Mostavan, Afghany [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada); Paternoster, Carlo; Tolouei, Ranna [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Ghali, Edward; Dubé, Dominique [Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada); Mantovani, Diego, E-mail: Diego.Mantovani@gmn.ulaval.ca [Laboratory for Biomaterials and Bioengineering, Canada Research Chair Tier I, Department of Mining, Metallurgy and Materials Engineering, the CHU de Québec Research Centre, Québec City, QC G1V 0A6 (Canada); Department of Mining, Metallurgy and Materials Engineering, Laval University, Québec City, QC G1V 0A6 (Canada)

    2017-01-01

    With its proven biocompatibility and excellent mechanical properties, iron is an excellent source material for clinical cardiac and vascular applications. However, its relatively low degradation rate limits its use for the healing and remodeling of diseased blood vessels. To address these issues, a multi-purpose fabrication process to develop a bilayer alloy composed of electroformed iron (E-Fe) and iron-phosphorus (Fe-P) was employed. Bilayers of Fe/Fe-P were produced in an electrolytic bath. The effects of electrolyte chemical composition and deposition current density (i{sub dep}) on layer structure and chemical composition were assessed by scanning electron microscopy, electron probe microanalysis, X-ray diffraction and X-ray photoelectron spectroscopy. The corrosion rate was determined by potentiodynamic polarization tests. The bilayers showed an increasing amount of P with increasing NaH{sub 2}PO{sub 4}·H{sub 2}O in the electrolyte. Fe-P structure became finer for higher P amounts. Potentiodynamic polarization tests revealed that the corrosion rate was strongly influenced by deposition conditions. For a P amount of ~ 2 wt. %, the corrosion rate was 1.46 mm/year, which confirms the potential of this material to demonstrate high mechanical properties and a suitable corrosion rate for biomedical applications. - Highlights: • A phosphates and Fe chloride electrolyte was used for the fabrication of a multilayer of Fe/FeP. • Up to ~ 14% at. P was deposited by co-deposition of Fe and P. • The corrosion rate for the layer with a ~ 3% at. P was the highest one and equal to 1.46 mm/year. • For a 14% at. P, the FeP alloy shows a texture change, with only (110) reflection visible.

  4. The metal-carbonyl bond in Ni(CO)4 and Fe(CO)5 - A clear-cut analysis

    Bauschlicher, C. W., Jr.; Bagus, P. S.

    1984-01-01

    A detailed analysis of the metal-carbonyl bonding in Ni(CO)4 and Fe(CO)5, based on the newly developed contained space orbital variation (CSOV) method, is carried out to investigate various contributing factors to the interaction. Three aspects about the metal-CO interaction are presented: (1) the frozen orbital repulsion between the metal 4s and the CO is large; (2) the metal to CO pi donation is energetically much more important than the CO to the metal sigma donation; and (3) the metal 4s and 4p orbitals make a very small contribution (smaller than 0.4 eV) to the interaction energy; the largest portion of this contribution arises from the CO to metal sigma donation.

  5. Fe based amorphous and compounds metallic alloys for magnetic and structural use

    Lavorato, G; Bassi, F; De Rosa, H; Moya, J

    2008-01-01

    Massive amorphous metals (thicker than 1mm) are new types of material that could have a wide range of future applications due to a unique combination of their physical properties, mechanics and magnetics. Among these are the elevated tension of fracture and hardness, and excellent soft magnetic properties. Since 1960, when an amorphous metallic alloy was first discovered, progress has continued on the application possibilities for these materials. One of their main limitations, maximum obtainable thickness, has continued to increase, since at first thicknesses of a few microns were obtained. Now amorphous alloys more than 70 mm thick are obtained using different metallic elements. Since 1995 massive amorphous metals can be produced using Fe as the base element. At first they were made in order to achieve good soft magnetic properties (thicknesses of ∼5 mm) and later a renewed interest in their use as structural material led to the development of materials with thicknesses of 16 mm and paramagnetics at room temperature. Increasing the toughness of these materials is also a challenge and investigators have proposed several solutions, among them is the development of composite materials where dendrites from a solid solution act as crack stoppers of fissures that are spread by an amorphous matrix. This work presents the results of studies with two types of synthesized materials using the rapid cooling technique from injection copper mold casting at air temperature: 1) a massive amorphous metallic alloy with composition (Fe 0.375 Co 0 .375 B 0.2 Si 0.05 )96Nb 4 (at.%) and 2) a composite of solid solution dendrites α-(FeCo) scattered in an amorphous matrix with a composition similar to alloy 1. Using the samples obtained structural studies were made (optic and electronic microscopy SEM, XRD, EDAX, DTA), magnetic studies (coercive field and saturation magnetization) and mechanical studies (Vickers microhardness). The fully amorphous alloy could be obtained with a

  6. Crystal structures and magnetic properties of iron (III)-based phosphates: Na4NiFe(PO4)3 and Na2Ni2Fe(PO4)3

    Essehli, Rachid; Bali, Brahim El; Benmokhtar, Said; Bouziane, Khalid; Manoun, Bouchaib; Abdalslam, Mouner Ahmed; Ehrenberg, Helmut

    2011-01-01

    Graphical abstract: A perspective view of the Na 2 Ni 2 Fe(PO 4 ) 3 structure along the [0 0 1] direction. Both compounds seem to exibit antiferromagnetic interactions between magnetic entities at low temperature. Display Omitted Research highlights: → Nasicon and Alluaudite compounds, Iron(III)-based phosphates, Crystal structures of Na 4 NiFe(PO 4 ) 3 and Na 2 Ni 2 Fe(PO 4 ) 3 . → Magnetism behaviours of Na 4 NiFe(PO 4 ) 3 and Na 2 Ni 2 Fe(PO 4 ) 3 . → Antiferromagnetism interactions. → Mossbauer spectroscopy. - Abstract: Crystal structures from two new phosphates Na 4 NiFe(PO 4 ) 3 (I) and Na 2 Ni 2 Fe(PO 4 ) 3 (II) have been determined by single crystal X-ray diffraction analysis. Compound (I) crystallizes in a rhombohedral system (S. G: R-3c, Z = 6, a = 8.7350(9) A, c = 21.643(4) A, R 1 = 0.041, wR 2 =0.120). Compound (II) crystallizes in a monoclinic system (S. G: C2/c, Z = 4, a = 11.729(7) A, b = 12.433(5) A, c = 6.431(2) A, β = 113.66(4) o , R 1 = 0.043, wR 2 =0.111). The three-dimensional structure of (I) is closely related to the Nasicon structural type, consisting of corner sharing [(Ni/Fe)O 6 ] octahedra and [PO 4 ] tetrahedra forming [NiFe(PO 4 ) 3 ] 4+ units which align in chains along the c-axis. The Na + cations fill up trigonal antiprismatic sites within these chains. The crystal structure of (II) belongs to the alluaudite type. Its open framework results from [Ni 2 O 10 ] units of edge-sharing [NiO 6 ] octahedra, which alternate with [FeO 6 ] octahedra that form infinite chains. Coordination of these chains yields two distinct tunnels in which site Na + . The magnetization data of compound (I) reveal antiferromagnetic (AFM) interactions by the onset of deviations from a Curie-Weiss behaviour at low temperature as confirmed by Moessbauer measurements performed at 4.2 K. The corresponding temperature dependence of the reciprocal susceptibility χ -1 follows a typical Curie-Weiss behaviour for T > 105 K. A canted AFM state is proposed for

  7. Optimization of the crystal growth of the superconductor CaKFe4As4 from solution in the FeAs -CaFe2As2-KFe2As2 system

    Meier, W. R.; Kong, T.; Bud'ko, S. L.; Canfield, P. C.

    2017-06-01

    Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe4As4 from a high temperature, quaternary liquid solution rich in iron and arsenic ("FeAs self-flux"). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe4As4 , CaFe2As2 , and KFe2As2 within what appear to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe4As4 . This optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs -CaFe2As2-KFe2As2 system.

  8. Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode.

    Bae, Ji-Eun; Kim, In Jung; Nam, Ki Hyun

    2017-11-04

    Glucose isomerase (GI) is an intramolecular oxidoreductase that interconverts aldoses and ketoses. These characteristics are widely used in the food, detergent, and pharmaceutical industries. In order to obtain an efficient GI, identification of novel GI genes and substrate binding/inhibition have been studied. Xylitol is a well-known inhibitor of GI. In Streptomyces rubiginosus, two crystal structures have been reported for GI in complex with xylitol inhibitor. However, a structural comparison showed that xylitol can have variable conformation at the substrate binding site, e.g., a nonspecific binding mode. In this study, we report the crystal structure of S. rubiginosus GI in a complex with xylitol and glycerol. Our crystal structure showed one metal binding mode in GI, which we presumed to represent the inactive form of the GI. The metal ion was found only at the M1 site, which was involved in substrate binding, and was not present at the M2 site, which was involved in catalytic function. The O 2 and O 4 atoms of xylitol molecules contributed to the stable octahedral coordination of the metal in M1. Although there was no metal at the M2 site, no large conformational change was observed for the conserved residues coordinating M2. Our structural analysis showed that the metal at the M2 site was not important when a xylitol inhibitor was bound to the M1 site in GI. Thus, these findings provided important information for elucidation or engineering of GI functions. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Non-linear thermal evolution of the crystal structure and phase transitions of LaFeO3 investigated by high temperature X-ray diffraction

    Selbach, Sverre M.; Tolchard, Julian R.; Fossdal, Anita; Grande, Tor

    2012-01-01

    The crystal structure, anisotropic thermal expansion and structural phase transition of the perovskite LaFeO 3 has been studied by high-temperature X-ray diffraction from room temperature to 1533 K. The structural evolution of the orthorhombic phase with space group Pbnm and the rhombohedral phase with R3 ¯ c structure of LaFeO 3 is reported in terms of lattice parameters, thermal expansion coefficients, atomic positions, octahedral rotations and polyhedral volumes. Non-linear lattice expansion across the antiferromagnetic to paramagnetic transition of LaFeO 3 at T N =735 K was compared to the corresponding behavior of the ferroelectric antiferromagnet BiFeO 3 to gain insight to the magnetoelectric coupling in BiFeO 3 , which is also multiferroic. The first order phase transition of LaFeO 3 from Pbnm to R3 ¯ c was observed at 1228±9 K, and a subsequent transition to Pm3 ¯ m was extrapolated to occur at 2140±30 K. The stability of the Pbnm and R3 ¯ c polymorphs of LaFeO 3 is discussed in terms of the competing enthalpy and entropy of the two crystal polymorphs and the thermal evolution of the polyhedral volume ratio V A /V B . - Graphical abstract: Aniostropic thermal evolution of the lattice parameters and phase transition of LaFeO 3 . Highlights: ► The crystal structure of LaFeO 3 is studied by HTXRD from RT to 1533 K. ► A non-linear expansion across the Néel temperature is observed for LaFeO 3 . ► The ratio V A /V B is used to rationalize the thermal evolution of the structure.

  10. Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials.

    Vela, Sergi; Novoa, Juan J; Ribas-Arino, Jordi

    2014-12-28

    Iron(II) complexes of the [Fe(II)(1-bpp2)](2+) type (1-bpp = 2,6-di(pyrazol-1-yl)pyridine) have been intensively investigated in the context of crystal engineering of switchable materials because their spin-crossover (SCO) properties dramatically depend on the counterions. Here, by means of DFT + U calculations at the molecular and solid state levels we provide a rationale for the different SCO behaviour of the BF4(-) and ClO4(-) salts of the parent complex; the former features Fe(II) complexes with a regular coordination geometry and undergoes a spin transition, whereas the Fe(II) complexes of the latter adopt a distorted structure and remain in the high-spin state at all temperatures. The different SCO behaviour of both salts can be explained on the basis of a combination of thermodynamic and kinetic effects. The shape of the SCO units at high temperature is thermodynamically controlled by the intermolecular interactions between the SCO units and counterions within the crystal. The spin trapping at low temperatures in the ClO4(-) salt, in turn, is traced back to a kinetic effect because our calculations have revealed the existence of a more stable polymorph having SCO units in their low-spin state that feature a regular structure. From the computational point of view, it is the first time that the U parameter is fine-tuned on the basis of CASPT2 calculations, thereby enabling an accurate description of the energetics of the spin transition at both molecular and solid-state levels.

  11. Magneto-thermo-gravimetric technique to investigate the structural and magnetic properties of Fe-B-Nb-Y Bulk Metallic Glass

    Lee, Sangmin; Makino, Akihiro; Inoue, Akihisa [Department of Materials Science, Graduate School of Engineering, Tohoku University, Sendai 980-8579 (Japan); Masood, Ansar; Tamaki, Takahiko; Valter, Strom; Rao, K V, E-mail: smlee@imr.tohoku.ac.j [Royal Institute of Technology (KTH), SE-100 44 Stockhom (Sweden)

    2009-01-01

    Magneto-thermo-gravimetric (MTG) technique is highly informative about the changes in the magnetic state, as well as structural changes in a system, which cannot be often noticed in calorimetric measurements. We demonstrate the versatility of this technique in determining the magnetic transition temperature, and the subsequent crystallization process in a (Fe{sub 0.72}B{sub 0.24}Nb{sub 0.04}){sub 95.5}Y{sub 4.5} Bulk Metallic Glass (BMG). MTG and DSC analyses were carried out at the heating rate of 0.67 K/s from RT {approx}1170 K. As a result of the repeated MTG measurements, a magnetic 2nd amorphous phase was observed in the BMG sample, which could be the first measurement for the Magnetic Short Range Ordering (MSRO). Consequently, the MTG measurement is proved as the most convenient method for determining the various structural and magnetic transitions in a glassy material.

  12. Crystallization and preliminary crystallographic studies of FoxE from Rhodobacter ferrooxidans SW2, an FeII oxidoreductase involved in photoferrotrophy

    Pereira, L.; Saraiva, I. H.; Coelho, R.; Newman, D. K.; Louro, R. O.; Frazão, C.

    2012-01-01

    Crystals of the R. ferrooxidans SW2 iron oxidoreductase FoxE were obtained and the phase problem was solved by Fe SAD at 2.44 Å resolution. FoxE is a protein encoded by the foxEYZ operon of Rhodobacter ferrooxidans SW2 that is involved in Fe II -based anoxygenic photosynthesis (‘photoferrotrophy’). It is thought to reside in the periplasm, where it stimulates light-dependent Fe II oxidation. It contains 259 residues, including two haem c-binding motifs. As no three-dimensional model is available and there is no structure with a similar sequence, crystals of FoxE were produced. They diffracted to 2.44 Å resolution using synchrotron radiation at the Fe edge. The phase problem was solved by SAD using SHELXC/D/E and the experimental maps confirmed the presence of two haems per molecule

  13. Crystal structure of (NH4)2[Fe(II) 5(HPO3)6], a new open-framework phosphite.

    Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel

    2014-11-01

    Di-ammonium hexa-phosphito-penta-ferrate(II), (NH4)2[Fe5(HPO3)6], was synthesized under mild hydro-thermal conditions and autogeneous pressure, yielding twinned crystals. The crystal structure exhibits an [Fe(II) 5(HPO3)6](2-) open framework with NH4 (+) groups as counter-cations. The anionic skeleton is based on (001) sheets of [FeO6] octa-hedra (one with point-group symmetry 3.. and one with .2.) linked along [001] through [HPO3](2-) oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octa-hedra, giving rise to channels with a radius of ca 3.1 Å in which the disordered NH4 (+) cations are located. The IR spectrum shows vibrational bands typical for phosphite and ammonium groups.

  14. Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

    Torres-Martinez, Leticia M., E-mail: lettorresg@yahoo.com [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others

    2012-04-16

    Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

  15. Synthesis of ferrite grade γ-Fe2O3

    Unknown

    carboxylates in air yield α-Fe2O3, but the controlled atmosphere of moisture requires for the oxalates to stabi- ... structure form, α-Fe2O3, is made to react with the cubic divalent metal .... water of crystallization show multistep exothermic peaks.

  16. Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals - II. Application to Fe2+ --> Ti4+ charge transfer transitions in oxides and silicates

    Sherman, David M.

    1987-01-01

    A molecular orbital description, based on Xα-Scattered wave calculations on a (FeTiO10)14− cluster, is given for Fe2+ → Ti4+ charge transfer transitions in minerals. The calculated energy for the lowest Fe2+ → Ti4+ metal-metal charge transfer transition is 18040 cm−1 in reasonable agreement with energies observed in the optical spectra of Fe-Ti oxides and silicates. As in the case of Fe2+ → Fe3+ charge transfer in mixed-valence iron oxides and silicates, Fe2+ → Ti4+ charge transfer is associated with Fe-Ti bonding across shared polyhedral edges. Such bonding results from the overlap of the Fe(t 2g ) and Ti(t 2g ) 3d orbitals.

  17. Reentrant spin glass ordering in an Fe-based bulk metallic glass

    Luo, Qiang; Shen, Jun, E-mail: junshen@tongji.edu.cn [School of Materials Science and Engineering, Tongji University, Shanghai 201804 (China)

    2015-02-07

    We report the results of the complex susceptibility, temperature, and field dependence of DC magnetization and the nonequilibrium dynamics of a bulk metallic glass Fe{sub 40}Co{sub 8}Cr{sub 15}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 2}. Solid indication of the coexistence of reentrant spin glass (SG) and ferromagnetic orderings is determined from both DC magnetization and AC susceptibility under different DC fields. Dynamics scaling of AC susceptibility indicates critical slowing down to a reentrant SG state with a static transition temperature T{sub s} = ∼17.8 K and a dynamic exponent zv = ∼7.3. The SG nature is further corroborated from chaos and memory effects, magnetic hysteresis, and aging behavior. We discuss the results in terms of the competition among random magnetic anisotropy and exchange interactions and compare them with simulation predictions.

  18. Fe-based bulk metallic glasses with a larger supercooled liquid region and high ductility

    Qiu, K.Q. [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110178 (China)], E-mail: kqqiu@yahoo.com.cn; Pang, J.; Ren, Y.L.; Zhang, H.B. [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110178 (China); Ma, C.L.; Zhang, T. [School of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083 (China)

    2008-12-20

    Bulk metallic glasses (BMGs) with compositions of Fe{sub 61.5-x}Co{sub 3}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 0.5}M{sub x} (x = 2, 3; M = Ni, Nb) were fabricated by copper mold casting using raw industrial materials. The X-ray diffraction (XRD), differential scanning calorimetry (DSC), mechanical tester and scanning electron microscope (SEM) were employed to check the phase constituent, the thermal stability, the mechanical properties and the fracture surfaces of as-cast samples. The results indicate that the BMGs with diameters of 1.5-3 mm were fabricated for the alloys investigated. The largest supercooled liquid region (SLR) up to 76 K was found for Fe{sub 58.5}Co{sub 3}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 0.5}Ni{sub 3} BMG. The BMGs with Ni addition exhibit not only high fracture strengths reaching 3770 MPa for x = 2 and 3980 MPa for x = 3 alloys, respectively, but also apparently plastic strains up to 0.67% and 0.93%, respectively. The fracture surfaces of the Fe{sub 61.5-x}Co{sub 3}Mo{sub 14}C{sub 15}B{sub 6}Er{sub 0.5}Ni{sub x} (x = 2, 3) alloys with plasticity show narrow ridges characteristic of venous patterns combining with tearing flow between the ridges. While the Nb containing alloys show not only a lower SLR below 60 K but also a lower stress below 2400 MPa, as well as almost no plastic strain before fracture.

  19. Crystal Field Levels of Pr3+ in PrFeO3 and PrGaO3 Determined by Inelastic Neutron Scattering

    Feldmann, K.; Henning, K.; Kaun, L.

    1975-01-01

    The crystal field splitting of the 3H4 ground state of the Pr ion in PrFeO3 and PrGaO3 has been investigated by inelastic scattering of thermal neutrons. At several temperatures the transitions have been measured by TAS and TOF methods for polycrystalline PrFeO3 and by the TOF method...... for polycrystalline PrGaO3. Energy level schemes which are different for these materials are given....

  20. Thermal annealing behaviour of sulphur-35 produced in pile-irradiated mixed crystals AlCl/sub 3/-FeCl/sub 3/

    Dyakovich, V; Todorovski, D S; Kostadinova, Z D [Sofia Univ. (Bulgaria). Khimicheski Fakultet

    1983-12-19

    The regression analysis of the experimental results on the thermal annealing behaviour of /sup 35/S produced in pile-irradiated mixed crystals AlCl/sub 3/-FeCl/sub 3/ confirms some suppositions made in a previous paper. The chemical state of /sup 35/S is defined by the target prehistory and the iron concentration. The influence of Fe/sup 3 +/ can be observed indirectly through its influence on the defect structure formed.

  1. Identification of an eta boride phase as a crystallization product of a NiMoFeB amorphous alloy

    Kim, Y.W.; Rabenberg, L.; Bourell, D.L.

    1988-01-01

    A new, apparently metastable, Mo--Ni boride phase has been observed in transmission electron microscope samples of rapidly consolidated MoNiFeB metallic glass powders. The phase is cubic with lattice parameter 1.083 nm. Its space group as determined by electron diffraction is Fd3-barm and its approximate composition is Mo 3 Ni 3 B. Because its structure, its composition, and its role as a transition phase are analogous to those of eta carbide (M 6 C) in steels and cemented carbides, this phase has tentatively been named ''eta boride.''

  2. H+ irradiation effect in Co-doped BaFe2As2 single crystals

    Nakajima, Y.; Tsuchiya, Y.; Taen, T.; Tamegai, T.; Kitamura, H.; Murakami, T.

    2011-01-01

    The effect of H + irradiation on the suppression of Tc in Co-doped BaFe 2 As 2 . H + irradiation introduces nonmagnetic scattering centers. Critical Scattering rate is much higher than that expected in s±-pairing scenario. We report the suppression of the critical temperature T c in single crystalline Ba(Fe 1-x Co x ) 2 As 2 at under-, optimal-, and over-doping levels by 3 MeV proton irradiation. T c decreases and residual resistivity increases monotonically with increasing the dose. The low-temperature resistivity does not show the upturn in contrast with the α-particle irradiated NdFeAs(O,F), which suggests that proton irradiation introduces nonmagnetic scattering centers. Critical scattering rates for all samples obtained by three different ways are much higher than that expected in s±-pairing scenario based on inter-band scattering due to antiferro-magnetic spin fluctuations.

  3. Thermodynamic properties of bcc crystals at high temperatures: The transition metals

    MacDonald, R.A.; Shukla, R.C.

    1985-01-01

    The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

  4. Nondegenerate valleys in the half-metallic ferromagnet Fe/WS 2

    Messaoudi, Omar; Ibañez-Azpiroz, Julen; Bouzar, Hamid; Lounis, Samir

    2018-01-01

    We present a first-principles investigation of the electronic properties of monolayer WS2 coated with an overlayer of Fe. Our ab initio calculations reveal that the system is a half-metallic ferromagnet with a gap of ˜1 eV for the majority spin channel. Furthermore, the combined effect of time-reversal symmetry breaking due to the magnetic Fe overlayer and the large spin-orbit coupling induced by W gives rise to nondegenerate K and K' valleys. This has a tremendous impact on the excited-state properties induced by externally applied circularly polarized light. Our analysis demonstrates that the latter induces a singular hot-spot structure of the transition probability around the K and K' valleys for right and left circular polarization, respectively. We trace back the emergence of this remarkable effect to the strong momentum dependent spin-noncollinearity of the valence band involved. As a main consequence, a strong valley-selective magnetic circular dichroism is obtained, making this system a prime candidate for spintronics and photonics applications.

  5. Topotactic Metal-Insulator Transition in Epitaxial SrFeOx Thin Films.

    Khare, Amit; Shin, Dongwon; Yoo, Tae Sup; Kim, Minu; Kang, Tae Dong; Lee, Jaekwang; Roh, Seulki; Jung, In-Ho; Hwang, Jungseek; Kim, Sung Wng; Noh, Tae Won; Ohta, Hiromichi; Choi, Woo Seok

    2017-10-01

    Topotactic phase transformation enables structural transition without losing the crystalline symmetry of the parental phase and provides an effective platform for elucidating the redox reaction and oxygen diffusion within transition metal oxides. In addition, it enables tuning of the emergent physical properties of complex oxides, through strong interaction between the lattice and electronic degrees of freedom. In this communication, the electronic structure evolution of SrFeO x epitaxial thin films is identified in real-time, during the progress of reversible topotactic phase transformation. Using real-time optical spectroscopy, the phase transition between the two structurally distinct phases (i.e., brownmillerite and perovskite) is quantitatively monitored, and a pressure-temperature phase diagram of the topotactic transformation is constructed for the first time. The transformation at relatively low temperatures is attributed to a markedly small difference in Gibbs free energy compared to the known similar class of materials to date. This study highlights the phase stability and reversibility of SrFeO x thin films, which is highly relevant for energy and environmental applications exploiting the redox reactions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Electron paramagnetic resonance investigations of Fe3+ doped layered TiInS2 and TiGaSe2 single crystals

    Faik, Mikailov; Bulat, Rameev; Sinan, Kazan; Bekir, Aktash; Faik, Mikailov; Bulat, Rameev

    2005-01-01

    Full text : TiInS 2 and TiGaSe 2 single crystals doped by paramagnetic Fe ions have been studied at room temperature by Electron Paramagnetic Resonance (EPR) technique. A fine structure of EPR spectra of paramagnetic Fe 3 + ions was observed. The spectra were interpreted to correspond to the transitions among spin multiplet which are splitted by the local ligand crystal field (CF) of orthorhombic symmetry. Four equivalent Fe 3 + centers have been observed in the EPR spectra and the local symmetry of crystal field at the Fe 3 + site and CF parameters were determined. It was established that symmetry axis of the axial component in the CF is making an angle of about 48 and 43 degree with the plane of layers of TiInS 2 and TiGaSe 2 crystals respectively. Experimental results indicate that the Fe ions substitute In (GA) at the center of InS 4 (GaSe 4 ) tetrahedrons, and the rhombic distortion of the CF is caused by the TI ions located in the trigonal cavities between the tethedral complexes

  7. Effect of crystallization on corrosion behavior of Fe40Ni38B18Mo4 amorphous alloy in 3.5% sodium chloride solution

    Wu, Y.F.; Chiang, Wen-Chi; Wu, J.K.

    2008-01-01

    After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix.......After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix....

  8. Spin crossover in Fe(phen)2(NCS)2 complexes on metallic surfaces

    Gruber, Manuel; Miyamachi, Toshio; Davesne, Vincent; Bowen, Martin; Boukari, Samy; Wulfhekel, Wulf; Alouani, Mebarek; Beaurepaire, Eric

    2017-03-01

    In this review, we give an overview on the spin crossover of Fe(phen)2(NCS)2 complexes adsorbed on Cu(100), Cu2N/Cu(100), Cu(111), Co/Cu(111), Co(100), Au(100), and Au(111) surfaces. Depending on the strength of the interaction of the molecules with the substrates, the spin crossover behavior can be drastically changed. Molecules in direct contact with non-magnetic metallic surfaces coexist in both the high- and low-spin states but cannot be switched between the two. Our analysis shows that this is due to a strong interaction with the substrate in the form of a chemisorption that dictates the spin state of the molecules through its adsorption geometry. Upon reducing the interaction to the surface either by adding a second molecular layer or inserting an insulating thin film of Cu2N, the spin crossover behavior is restored and molecules can be switched between the two states with the help of scanning tunneling microscopy. Especially on Cu2N, the two states of single molecules are stable at low temperature and thus allow the realization of a molecular memory. Similarly, the molecules decoupled from metallic substrates in the second or higher layers display thermally driven spin crossover as has been revealed by X-ray absorption spectroscopy. Finally, we discuss the situation when the complex is brought into contact with a ferromagnetic substrate. This leads to a strong exchange coupling between the Fe spin in the high-spin state and the magnetization of the substrate as deduced from spin-polarized scanning tunneling spectroscopy and ab initio calculation.

  9. Magnetically induced crystal structure and phase stability in Fe1-cCoc

    Abrikosov, I.A.; James, P.; Eriksson, O.

    1996-01-01

    We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

  10. The crystallization of amorphous Fe2MnGe powder prepared by ball milling

    Zhang, L.; Brueck, E.; Tegus, O.; Buschow, K.H.J.; Boer, F.R. de

    2003-01-01

    We synthesized for the first time the intermetallic compound Fe 2 MnGe. To avoid preferential evaporation of volatile components we exploited mechanical alloying. Amorphous Fe 2 MnGe alloy powder was prepared by planetary ball milling elemental starting materials. The amorphous-to-crystalline transition was studied by means of differential scanning calorimetry (DSC) and X-ray diffraction (XRD). A cubic D0 3 phase is formed at low temperature and transforms to a high-temperature hexagonal D0 19 phase. The apparent activation energy was determined by means of the Kissinger method

  11. Clustered atom-replaced structure in single-crystal-like metal oxide

    Araki, Takeshi; Hayashi, Mariko; Ishii, Hirotaka; Yokoe, Daisaku; Yoshida, Ryuji; Kato, Takeharu; Nishijima, Gen; Matsumoto, Akiyoshi

    2018-06-01

    By means of metal organic deposition using trifluoroacetates (TFA-MOD), we replaced and localized two or more atoms in a single-crystalline structure having almost perfect orientation. Thus, we created a new functional structure, namely, clustered atom-replaced structure (CARS), having single-crystal-like metal oxide. We replaced metals in the oxide with Sm and Lu and localized them. Energy dispersive x-ray spectroscopy results, where the Sm signal increases with the Lu signal in the single-crystalline structure, confirm evidence of CARS. We also form other CARS with three additional metals, including Pr. The valence number of Pr might change from 3+ to approximately 4+, thereby reducing the Pr–Ba distance. We directly observed the structure by a high-angle annular dark-field image, which provided further evidence of CARS. The key to establishing CARS is an equilibrium chemical reaction and a combination of additional larger and smaller unit cells to matrix cells. We made a new functional metal oxide with CARS and expect to realize CARS in other metal oxide structures in the future by using the above-mentioned process.

  12. Fe/N/C hollow nanospheres by Fe(iii)-dopamine complexation-assisted one-pot doping as nonprecious-metal electrocatalysts for oxygen reduction

    Zhou, Dan; Yang, Liping; Yu, Linghui; Kong, Junhua; Yao, Xiayin; Liu, Wanshuang; Xu, Zhichuan; Lu, Xuehong

    2015-01-01

    In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O. Moreover, it displays better electrochemical durability and tolerance to methanol crossover effect in an alkaline medium than the Pt/C. The excellent catalytic performance of Fe/N/C HNSs-750 towards ORR can be ascribed to their high specific surface area, mesoporous morphology, homogeneous distribution of abundant active sites, high pyridinic nitrogen content, graphitic nitrogen and graphitic carbon, as well as the synergistic effect of nitrogen and iron species for catalyzing ORR.In this work, a series of hollow carbon nanospheres simultaneously doped with N and Fe-containing species are prepared by Fe3+-mediated polymerization of dopamine on SiO2 nanospheres, carbonization and subsequent KOH etching of the SiO2 template. The electrochemical properties of the hollow nanospheres as nonprecious-metal electrocatalysts for oxygen reduction reaction (ORR) are characterized. The results show that the hollow nanospheres with mesoporous N-doped carbon shells of ~10 nm thickness and well-dispersed Fe3O4 nanoparticles prepared by annealing at 750 °C (Fe/N/C HNSs-750) exhibit remarkable ORR catalytic activity comparable to that of a commercial 20 wt% Pt/C catalyst, and high selectivity towards 4-electron reduction of O2 to H2O

  13. KF-loaded mesoporous Mg-Fe bi-metal oxides: high performance transesterification catalysts for biodiesel production.

    Tao, Guiju; Hua, Zile; Gao, Zhe; Zhu, Yan; Zhu, Yan; Chen, Yu; Shu, Zhu; Zhang, Lingxia; Shi, Jianlin

    2013-09-21

    Using newly developed mesoporous Mg-Fe bi-metal oxides as supports, a novel kind of high performance transesterification catalysts for biodiesel production has been synthesized. More importantly, the impregnation solvent was for the first time found to substantially affect the structures and catalytic performances of the resultant transesterification catalysts.

  14. Temperature stimulates charge carriers in Ce0.90Fe0.1O2 for semiconductor to metal phase

    Parveen, Mubeena; Saravanan, G.; Asvini, V.; Ravichandran, K.; Kalaiselvi, D.

    2018-04-01

    Ce0.90Fe0.1O2, cubic structure exhibits interesting electrical property-due to the effects of oxygen vacancies. Electrical response of nanocrystalline Ce0.90Fe0.1O2 material as a function of temperature was investigated using impedance spectroscopy. A change was observed in Nyquist plot for the temperature 903k, which has been analysed in terms of localized and delocalized electrons. An interesting behaviour of temperature stimulate semiconductor to metal like transition was observed in frequency dependent dielectric constant (ɛ') and frequency dependent dielectric loss(tan δ). Frequency dependence on the real and imaginary part of impedence with respect to temperature aids the presences of semiconductor to metal like transition in Ce0.90Fe0.1O2.

  15. Scanning tunneling microscopy on iron-chalcogenide superconductor Fe(Se, Te) single crystal

    Ukita, R.; Sugimoto, A.; Ekino, T.

    2011-01-01

    We show scanning tunneling microscopy/spectroscopy (STM/STS) results of Fe(Se, Te). STM topography shows square arrangements of spots with the lattice spacing 0.37 nm. Te and Se atoms are randomly distributed in the STM topography. The STM topography of FeTe exhibits clusters of separated iron atoms. We have investigated the iron-chalcogenide superconductor Fe(Se, Te) using a low-temperature scanning tunneling microscopy/spectroscopy (STM/STS) technique. STM topography at 4.9 K shows clear regular square arrangements of spots with the lattice spacing ∼0.37 nm, from which what we observe are attributed to Se or Te atomic plane. In the topography, brighter and darker atomic spots are randomly distributed, which are most probably due to Te and Se atoms, respectively. For the FeTe compound, the topography exhibits clusters of the bright spots probably arising from separated iron atoms distributing over several Te lattice sites. The STS measurements clarify the existence of the large-size gap with 2Δ = 0.4-0.6 eV.

  16. High-Performance Epoxy-Resin-Bonded Magnets Produced from the Sm2Fe17Nx Powders Coated by Copper and Zinc Metals

    Noguchi, Kenji; Machida, Ken-ichi; Adachi, Gin-ya

    2001-04-01

    Fine powders of Sm2Fe17Nx coated with copper metal reduced from CuCl2 and/or zinc metal subsequently derived by photo-decomposition of diethylzinc [Zn(C2H5)2] were prepared, and their magnetic properties were characterized in addition to those of epoxy-resin-bonded magnets produced from the coated powders (Cu/Sm2Fe17Nx, Zn/Sm2Fe17Nx and Zn/Cu/Sm2Fe17Nx). The remanence (Br) and maximum energy product [(\\mathit{BH})max] of double metal-coated Zn/Cu/Sm2Fe17Nx powders were maintained at higher levels than those of single Zn metal-coated Sm2Fe17Nx ones (Zn/Sm2Fe17Nx) even after heat treatment at 673 K since the oxidation resistance and thermal stability were effectively improved by formation of the thick and uniform protection layer on the surface of Sm2Fe17Nx particles. Moreover, the epoxy-resin-bonded magnets produced from the Zn/Cu/Sm2Fe17Nx powders possessed good corrosion resistance in air at 393 K which it resulted in the smaller thermal irreversible flux loss than that of uncoated and single Zn metal-coated Sm2Fe17Nx powders in the temperature range of above 393 K.

  17. Ion backscattering, channeling and nuclear reaction analysis study of passive films formed on FeCrNi and FeCrNiMo (100) single crystals

    Cohen, C; Schmaus, D [Paris-7 Univ., 75 (France). Groupe de Physique des Solides de l' ENS; Elbiache, A; Marcus, P [Ecole Nationale Superieure de Chimie, 75 - Paris (France)

    1990-01-01

    The compositions of passive films formed on Fe-17Fr-13Ni (at. %) and Fe-18.5Cr-14Ni-1.5Mo (100) single crystals have been determined and the structure of the alloy under the film has been investigated. The alloys were passivated in 0.05M H{sub 2}SO{sub 4} at 250 mV/SHE for 30 min. The oxygen content was measured by nuclear microanalysis using the {sup 16}O(d,p) {sup 17}O* reaction. The oxygen content in the passive film is similar for the two alloys and equal to (12{plus minus}2) 10{sup 15} O/cm{sup 2}. The cationic compositions of the passive films have been determined by {sup 4}He channeling at two incident beam energies: 0.8 and 2.0 MeV. For the two alloys studied, a total cation content of (5{plus minus}2)10{sup 15} at/cm{sup 2} is found in the passive films. The corresponding thickness is about 12 A. There is an excess of oxygen, which can be attributed to the presence of hydroxyls and sulfate. A strong chromium enrichment is found in the passive film formed on both alloys: chromium represents about 50% of the cations. There is no evidence of molybdenum enrichment in the passive film formed on the Mo-alloyed stainless steel. The comparison of the results obtained at the two different incident beam energies (0.8MeV and 2MeV) reveals the existence of defects at the alloy/passive film interface. (author).

  18. Slowing down of 1.3-3.5 MeV/u Fe, Kr and I ions in ten metals

    Alanko, T; Kylloenen, V; Müller, S; Raeisaenen, J; Virtanen, A

    2000-01-01

    Stopping powers for 1.3-3.5 MeV/u sup 5 sup 6 Fe, sup 8 sup 0 sup , sup 8 sup 4 Kr and sup 1 sup 2 sup 7 I ions in Mg, V, Fe, Co, Ni, Cu, Nb, Sn, Ta and Au have been determined by a transmission technique exposing the metallic sample foils to the direct ion beam. No previous data have been published for Mg, V, Fe, Co, Nb, Sn or Ta stopping media with these ion energies. The experimental results are compared with parametrizations of the stopping powers found in the literature (SRIM-2000 and Hubert's parametrization). Discrepancies as high as 21 and 16% are observed for SRIM and Hubert's parametrization, respectively. However, there is agreement between the present results and other experimental data available at corresponding ion velocities for sup 8 sup 4 Kr and sup 5 sup 6 Fe in Ni, Cu, and Au.

  19. Slowing down of 1.3-3.5 MeV/u Fe, Kr and I ions in ten metals

    Alanko, T. E-mail: tommi.alanko@phys.jyu.fi; Hyvoenen, J.; Kylloenen, V.; Mueller, S.; Raeisaenen, J.; Virtanen, A

    2000-09-01

    Stopping powers for 1.3-3.5 MeV/u {sup 56}Fe, {sup 80,84}Kr and {sup 127}I ions in Mg, V, Fe, Co, Ni, Cu, Nb, Sn, Ta and Au have been determined by a transmission technique exposing the metallic sample foils to the direct ion beam. No previous data have been published for Mg, V, Fe, Co, Nb, Sn or Ta stopping media with these ion energies. The experimental results are compared with parametrizations of the stopping powers found in the literature (SRIM-2000 and Hubert's parametrization). Discrepancies as high as 21 and 16% are observed for SRIM and Hubert's parametrization, respectively. However, there is agreement between the present results and other experimental data available at corresponding ion velocities for {sup 84}Kr and {sup 56}Fe in Ni, Cu, and Au.

  20. Metal-loaded pollucite-like aluminophosphates: dissymmetrisation of crystal structures and physical properties

    Shvanskaya, L. V.; Yakubovich, O. V.; Koshelev, A. V.; Vasiliev, A. N.

    2018-02-01

    Two aluminophosphate analogues of the mineral pollucite with the general formula Cs2(M,Al)3P3O12 (where M = Cu or Mn) have been synthesized by high-temperature flux and structurally characterized using the single-crystal X-ray diffraction. Both samples crystallize in cubic I4132 space group, Z = 8, with a = 13.5911(5) and a = 13.8544(7) for Cu- and Mn-loaded phases, respectively. Their framework structures are based on the ANA-type topology and exhibit the partial ordering of the metal (M/Al) and phosphorus (P) cations over the tetrahedral sites. The regular changes in cell dimensions and volumes in the row Cs2(Cu,Al)3P3O12→Cs2(Mn,Al)3P3O12 obviously correspond to increasing radii of the transition metal. The crystal chemical analysis of both pollucite-like phases show correlations between the difference in the radii size of tetrahedral cations and the degree of distortion of flexible ANA-type framework due to decreasing of the intertetrahedral angles (T-O-T). Magnetic susceptibility measurements indicate that both compounds are paramagnets in the temperature range of 2-300 K.

  1. Multi-scale simulation of single crystal hollow turbine blade manufactured by liquid metal cooling process

    Xuewei Yan

    2018-02-01

    Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling

  2. Magmatic Hydrothermal Fluids: Experimental Constraints on the Role of Magmatic Sulfide Crystallization and Other Early Magmatic Processes in Moderating the Metal Content of Ore-Forming Fluids

    Piccoli, P. M.; Candela, P. A.

    2006-05-01

    It has been recognized for some time that sulfide phases, although common in intermediate-felsic volcanic rocks, are not as common in their plutonic equivalents. That sulfide crystallization, or the lack thereof, is important in the protracted magmatic history of porphyry Cu and related systems is supported by the work of e.g., Rowins (2000). Candela and Holland (1986) suggested that sulfide crystallization could moderate the ore metal concentrations in porphyry environments. Experiments show clearly that Au and Cu can partition into Cl-bearing vapor and brine. This effect can be enhanced by S (Simon, this session). However, in some instances enhances this effect. That is, the partitioning of Au and Cu into vapor+brine is highly efficient (e.g. Simon et al. 2003; Frank et al 2003). This suggests that if sulfides do not sequester ore metals early during the history of a magma body from the melt, they will partition strongly into the volatile phases. Whether volatile release occurs in the porphyry ore environment, or at deeper levels upon magma rise, is a yet unsolved question. Little is known about deep release of volatiles (during magma transport at lower- to mid-crustal levels). Saturation of melts with a CO2-bearing fluid could happen at levels much deeper than those typical of ore formation. CO2 is released preferentially, so a high CO2 concentration in fluids in the porphyry ore environment argues against deep fluid release. Of course, this depends upon the specific processes of crystallization and fluid release, which may be complex. Our experiments on sulfides have concentrated on pyrrhotite and Iss. Our partitioning data for Po/melt exhibit wide variations from metal to metal: Cu (2600); Co (170); Au (140); Ni (100); Bi, Zn and Mn (2). These results suggest that crystallization of Po can contribute to variable ore metal ratios (e.g. Cu/Au). Other sulfides behave differently. If a melt is Iss (Cpy) saturated, then Cu will be buffered at a high value, and Au

  3. IR thermographic observation and shear bands plasticity analysis in Fe-based metallic glass

    Bouzakher, B.; Benameur, T.; Sidhom, H.

    2009-01-01

    Infrared thermography observation and in situ atomic force microscopy characterization were carried out to investigate the mechanical damage processes at the edge-notch region of large ribbons of Fe 78 Si 10 B 12 metallic glass. An obvious thermoelastic and inelastic degradation phenomenon was observed ahead at the notched region of the specimens, which probably result from free volume accumulation process and shear band activity during plane stress solicitations. Moreover, AFM topographic and frictional analysis of changes in the crack path during stable crack propagation regime revealed a periodic morphology evolution, formation of nanoscale damage cavity in the range of 20-140 nm and a maximum temperature rise ahead of the pre-crack tip was found in the order of 1.5 deg. C. The nanometer scaled shear offset, discreteness and shear bands density were determined. While these key parameters play a role in observing a large plastic zone in front of the crack, however they are unable to explain the distinct intrinsic ductility of some monolithic metallic glasses. A general Mohr-Coulomb-type constitutive description was used to deduce analytic expressions for prediction of the variation of hydrostatic component of the applied stress to the shear stress ratio as function of Poisson's ratio.

  4. Photoluminescence and semiconducting behavior of Fe, Co, Ni and Cu implanted in heavy metal oxide glasses

    Mohamed A. Marzouk

    2016-07-01

    Full Text Available Transition metal ions (0.5 wt% of Fe2O3, CoO, NiO or CuO doped heavy metal oxide glasses having chemical composition of 60PbO·20Bi2O3·20 MxOy mol% (where MxOy = B2O3 or SiO2 or P2O5 were prepared by conventional melt annealing method. Combined optical and photoluminescence properties have been measured and employed to evaluate the prepared glassy samples. From the absorption edge data, the values of the optical band gap Eopt, Urbach energy (ΔE and refractive index were calculated to estimate semiconducting behavior. Photoluminescence and values of the optical energy gap were found to be dependent on the glass composition. The variations of the photoluminescence intensity, values of optical band gap, Urbach energy and refractive index gave an indication to use the prepared glasses for design of novel functional optical materials with higher optical performance.

  5. Fe-Mn bi-metallic oxides loaded on granular activated carbon to enhance dye removal by catalytic ozonation.

    Tang, Shoufeng; Yuan, Deling; Zhang, Qi; Liu, Yameng; Zhang, Qi; Liu, Zhengquan; Huang, Haiming

    2016-09-01

    A Fe-Mn bi-metallic oxide supported on granular activated carbon (Fe-Mn GAC) has been fabricated by an impregnation-desiccation method and tested in the catalytic ozonation of methyl orange (MO) degradation and mineralization. X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy characterizations revealed that Fe-Mn oxides were successfully loaded and uniformly distributed on the GAC, and nitrogen adsorption isotherms showed that the supported GAC retained a large surface area and a high pore volume compared with the pristine GAC. The catalytic activity was systematically assessed by monitoring the MO removal efficiencies at different operational parameters, such as catalyst dosage, initial solution pH, and ozone flow rate. The Fe-Mn GAC exhibited better catalytic activity relative to ozone alone and GAC alone, improving the TOC removal by 24.5 and 11.5 % and COD removal by 13.6 and 7.3 %, respectively. The reusability of the hybrid was examined over five consecutive cyclic treatments. The Fe-Mn GAC catalytic activity was only a slight loss in the cycles, showing good stability. The addition of Na2CO3 as hydroxyl radicals (•OH) scavengers proved that the catalytic ozonation mechanism was the enhanced generation of •OH by the Fe-Mn GAC. The above results render the Fe-Mn GAC an industrially promising candidate for catalytic ozonation of dye contaminant removal.

  6. Crystallization and deuterium permeation behaviors of yttrium oxide coating prepared by metal organic decomposition

    Takumi Chikada

    2016-12-01

    Full Text Available Yttrium oxide coatings were fabricated on reduced activation ferritic/martensitic steels by metal organic decomposition with a dip-coating technique, and their deuterium permeation behaviors were investigated. The microstructure of the coatings varied with heat-treatment temperature: amorphous at 670ºC (amorphous coating and crystallized at 700ºC (crystallized coating. Deuterium permeation flux of the amorphous coating was lower than the uncoated steel by a factor of 5 at 500ºC, while that of the crystallized coating was lower by a factor of around 100 at 400‒550ºC. The permeation fluxes of both coatings were drastically decreased during the measurements at higher temperatures by a factor of up to 790 for the amorphous coating and 1000 for the crystallized one, indicating a microstructure modification occurred by an effect of test temperature with hydrogen flux. Temperature dependence of deuterium diffusivity in the coatings suggests that the decrease of the permeation flux has been derived from a decrease of the diffusivity. Characteristic permeation behaviors were observed with different annealing conditions; however, they can be interpreted using the permeation mechanism clarified in the previous erbium oxide coating studies.

  7. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    V.M. Chernov

    2016-12-01

    Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

  8. Thermally induced crystallization of amorphous Fe40Ni40P14B6 alloy

    Vasić, M.; Blagojević, V. A.; Begović, N. N.; Žák, Tomáš; Pavlović, V. B.; Minić, Dragica M.

    2015-01-01

    Roč. 614, AUG (2015), s. 129-136 ISSN 0040-6031 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Amorphous alloy * Crystallization * Kinetics * Deconvolution * Impingement * Surface morphology Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.938, year: 2015

  9. Low Temperature Synthesis of Metal Oxides by a Supercritical Seed Enhanced Crystallization (SSEC) Process

    Jensen, Henrik; Brummerstedt Iversen, Steen; Joensen, Karsten Dan

    2006-01-01

    A novel method for producing crystalline nanosized metal oxides by a Supercritical Seed Enhanced Crystallization (SSEC) Process has been developed. The process is a modified sol-gel process taking place at temperatures as low as 95 ºC with supercritical CO2 as solvent and polypropylene as seeding...... material. The nanocrystalline product is obtained without having to resort to costly post-reaction processing and the product is obtained directly after the SSEC process. TiO2 powders produced by the SSEC process were shown to have a crystallinity of 60 % and a crystal size of 7.3 ± 2.6 nm....... The crystallinity can be controlled by changing the heating rate of the initial formation of the nanoparticles and the morphology can be altered by changing the process time....

  10. Monodisperse Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres: Metal-ion-steered size/composition control mechanism, static magnetic and enhanced microwave absorbing properties

    Jiang, Kedan, E-mail: 17858961652@163.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Liu, Yun, E-mail: liuyun650403@163.com [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Pan, Yefei, E-mail: 3083780256@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Wang, Ru, E-mail: 631081137@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Hu, Panbing, E-mail: 1036855954@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); He, Rujia, E-mail: 634185782@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Zhang, Lingli, E-mail: 786510121@qq.com [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China); Tong, Guoxiu, E-mail: tonggx@zjnu.cn [College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004 (China)

    2017-05-15

    Highlights: • A metal-ion-steered solvothermal method for synthesizing Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres. • Proposing an in situ-reduction, coordination-precipitation transformation mechanism. • Investigating size- and composition-dependent static magnetic properties. • Investigating size- and composition-dependent microwave absorbing properties. - Abstract: An easy metal-ion-steered solvothermal method was developed for the one-step synthesis of monodisperse, uniform Ni{sub x}Fe{sub 3-x}O{sub 4} polycrystalline nanospheres with tunable sphere diameter (40–400 nm) and composition (0 ≤ x ≤ 0.245) via changing just Ni{sup 2+}/Fe{sup 3+} molar ratio (γ). With g increased from 0:1 to 2:1, sphere diameter gradually decreased and crystal size exhibited an inversed U-shaped change tendency, followed by increased Ni/Fe atom ratio from 0% to 0.0888%. An in situ-reduction, coordination-precipitation transformation mechanism was proposed to interpret the metal-ion-steered growth. Size- and composition-dependent static magnetic and microwave absorbing properties were systematically investigated. Saturation magnetization declines with g in a Boltzmann model due to the changes of crystal size, sphere diameter, and Ni content. The coercivity reaches a maximum at γ = 0.75:1 because of the critical size of Fe{sub 3}O{sub 4} single domain (25 nm). Studies on microwave absorption reveal that 150–400 nm Fe{sub 3}O{sub 4} nanospheres mainly obey the quarter-wavelength cancellation model with the single-band absorption; 40–135 nm Ni{sub x}Fe{sub 3-x}O{sub 4} nanospheres (0 ≤ x ≤ 0.245) obey the one and three quarter-wavelength cancellation model with the multi-band absorption. 150 nm Fe{sub 3}O{sub 4} nanospheres exhibit the optimal EM wave-absorbing property with an absorbing band of 8.94 GHz and the maximum R{sub L} of −50.11 dB.

  11. Electrical properties of InP:Fe single crystals implanted by phosphorus ions

    Radautsan, S.I.; Tiginyanu, I.M.; Pyshnaya, N.B.

    1988-01-01

    Investigations of phosphorus ion implantation in InP:Fe monocrystals and of the post-implantation annealing process upon the electrical properties of InP:Fe were carried out. The electrical parameters of the samples have been determined by Hall effect measurements. The curves of electron surface concentration n s and mobility μ s as functions of annealing temperature in the range of 200 to 600 0 C are shown and discussed. In order to estimate the depth of donor levels in annealed samples the temperature dependence of the surface Hall coefficient has been studied in the range 100 to 400 K. The thermal electron activation energy has been determined to be 0.09 eV

  12. Synthesis, single-crystal structure refinement and Fe/T site preference in the ternary borides Fe {sub x}T{sub 7-x}B{sub 3} (T = Ru, Rh; 0 < x {<=} 1.5)

    Fokwa, Boniface P.T. [Institut fuer Anorganische Chemie, Rheinisch-Westfaelische Technische Hochschule Aachen, D-52056 Aachen (Germany); Dronskowski, Richard [Institut fuer Anorganische Chemie, Rheinisch-Westfaelische Technische Hochschule Aachen, D-52056 Aachen (Germany)]. E-mail: drons@HAL9000.ac.rwth-aachen.de

    2007-01-31

    Single crystals of the borides Fe {sub x}Rh{sub 7-x}B{sub 3} (1 < x < 1.5) and Fe {sub x}Ru{sub 7-x}B{sub 3} (0 < x < 1) have been synthesized by arc-melting the elements in a water-cooled copper crucible under argon atmosphere. The silver-like products, structurally characterized by single-crystal X-ray analysis, adopt the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3} mc, no. 186) with Z = 2. Their structures consist of layers of boron-centered trigonal prisms of rhodium or ruthenium (Rh;Ru) and iron on the one side, and one-dimensional channels of face-sharing octahedral (Rh;Ru){sub 6} clusters on the other. Unlike in FeRh{sub 6}B{sub 3}, the iron substitution takes place at two (6c and 2b) of the three available rhodium/ruthenium positions, with a preference for the 6c site in the case of the Fe {sub x}Rh{sub 7-x}B{sub 3} compounds but not for Fe {sub x}Ru{sub 7-x}B{sub 3}.

  13. Solid-state reactivity explored in situ by synchrotron radiation on single crystals: from SrFeO2.5 to SrFeO3 via electrochemical oxygen intercalation

    Maity, A; Dutta, R; Penkala, B; Ceretti, M; Letrouit-Lebranchu, A; Perichon, A; Paulus, W; Chernyshov, D; Piovano, A; Bossak, A; Meven, M

    2015-01-01

    In this study we demonstrate the feasibility of following up a chemical reaction by single crystal x-ray (synchrotron) diffraction under operando conditions, carried out in a specially designed electrochemical cell mounted on the BM01A at the European Synchrotron Radiation Facility (ESRF). We investigated in detail the electrochemical oxidation of SrFeO 2.5 to SrFeO 3 on a spherical single crystal of 70 µm diameter by in situ diffraction at an ambient temperature. Complete data sets were obtained by scanning the whole reciprocal space using a 2M Pilatus detector, resulting in 3600 frames with a resolution of 0.1° per data set, each obtained in 18 min. The crystal was mounted in a specially designed electrochemical cell with 1N KOH used as the electrolyte. During the electrochemical oxidation, the reaction proceeds following the phase sequence SrFeO 2.5 /SrFeO 2.75 /SrFeO 2.875 /SrFeO 3 , structurally accompanied by establishing a complex series of long-range oxygen vacancy ordering, which gets instantly organized at ambient temperature. The topotactic reaction pathway is discussed in terms of the evolution of the twin domain structure. The formation of SrFeO 2.875 is accompanied by the formation of diffuse streaks along the [1 0 0]-direction of the perovskite cell, reaching high d-spacings. The diffuse streaks are discussed and are thought to originate from a modified twin structure induced by the SrFeO 2.75 to SrFeO 2.875 transition, and the associated changes in the domain structure, developed during the oxygen intercalation. We equally analysed and discussed in detail the twin structure of all the title compounds. We confirm the ground state of SrFeO 2.5 is able to adopt the Imma space group symmetry, showing stacking faults of the tetrahedral layers along the stacking axis of the brownmillerite unit cell, indicated by the 1D diffuse rods. We showed that in situ single crystal diffraction has huge potential in the study of non-stoichiometric compounds

  14. Solid-state reactivity explored in situ by synchrotron radiation on single crystals: from SrFeO2.5 to SrFeO3 via electrochemical oxygen intercalation

    Maity, A.; Dutta, R.; Penkala, B.; Ceretti, M.; Letrouit-Lebranchu, A.; Chernyshov, D.; Perichon, A.; Piovano, A.; Bossak, A.; Meven, M.; Paulus, W.

    2015-12-01

    In this study we demonstrate the feasibility of following up a chemical reaction by single crystal x-ray (synchrotron) diffraction under operando conditions, carried out in a specially designed electrochemical cell mounted on the BM01A at the European Synchrotron Radiation Facility (ESRF). We investigated in detail the electrochemical oxidation of SrFeO2.5 to SrFeO3 on a spherical single crystal of 70 µm diameter by in situ diffraction at an ambient temperature. Complete data sets were obtained by scanning the whole reciprocal space using a 2M Pilatus detector, resulting in 3600 frames with a resolution of 0.1° per data set, each obtained in 18 min. The crystal was mounted in a specially designed electrochemical cell with 1N KOH used as the electrolyte. During the electrochemical oxidation, the reaction proceeds following the phase sequence SrFeO2.5/SrFeO2.75/SrFeO2.875/SrFeO3, structurally accompanied by establishing a complex series of long-range oxygen vacancy ordering, which gets instantly organized at ambient temperature. The topotactic reaction pathway is discussed in terms of the evolution of the twin domain structure. The formation of SrFeO2.875 is accompanied by the formation of diffuse streaks along the [1 0 0]-direction of the perovskite cell, reaching high d-spacings. The diffuse streaks are discussed and are thought to originate from a modified twin structure induced by the SrFeO2.75 to SrFeO2.875 transition, and the associated changes in the domain structure, developed during the oxygen intercalation. We equally analysed and discussed in detail the twin structure of all the title compounds. We confirm the ground state of SrFeO2.5 is able to adopt the Imma space group symmetry, showing stacking faults of the tetrahedral layers along the stacking axis of the brownmillerite unit cell, indicated by the 1D diffuse rods. We showed that in situ single crystal diffraction has huge potential in the study of non-stoichiometric compounds under operando

  15. Donnan membrane speciation of Al, Fe, trace metals and REEs in coastal lowland acid sulfate soil-impacted drainage waters

    Jones, Adele M.; Xue, Youjia [School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Kinsela, Andrew S. [School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Institute for Environmental Research (IER), Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW 2234 (Australia); Wilcken, Klaus M. [Institute for Environmental Research (IER), Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW 2234 (Australia); Collins, Richard N., E-mail: richard.collins@unsw.edu.au [School of Civil and Environmental Engineering, University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-03-15

    Donnan dialysis has been applied to forty filtered drainage waters collected from five coastal lowland acid sulfate soil (CLASS) catchments across north-eastern NSW, Australia. Despite having average pH values < 3.9, 78 and 58% of Al and total Fe, respectively, were present as neutral or negatively-charged species. Complementary isotope dilution experiments with {sup 55}Fe and {sup 26}Al demonstrated that only soluble (i.e. no colloidal) species were present. Trivalent rare earth elements (REEs) were also mainly present (> 70%) as negatively-charged complexes. In contrast, the speciation of the divalent trace metals Co, Mn, Ni and Zn was dominated by positively-charged complexes and was strongly correlated with the alkaline earth metals Ca and Mg. Thermodynamic equilibrium speciation calculations indicated that natural organic matter (NOM) complexes dominated Fe(III) speciation in agreement with that obtained by Donnan dialysis. In the case of Fe(II), however, the free cation was predicted to dominate under thermodynamic equilibrium, whilst our results indicated that Fe(II) was mainly present as neutral or negatively-charged complexes (most likely with sulfate). For all other divalent metals thermodynamic equilibrium speciation calculations agreed well with the Donnan dialysis results. The proportion of Al and REEs predicted to be negatively-charged was also grossly underestimated, relative to the experimental results, highlighting possible inaccuracies in the stability constants developed for these trivalent Me(SO{sub 4}){sub 2}{sup −} and/or Me–NOM complexes and difficulties in modeling complex environmental samples. These results will help improve metal mobility and toxicity models developed for CLASS-affected environments, and also demonstrate that Australian CLASS environments can discharge REEs at concentrations an order of magnitude greater than previously reported. - Highlights: • CLASS discharge large amounts of metals and their speciation is poorly

  16. AFM observation of Fe-Al single crystals under in situ deformation

    Veselý, J.; Cieslar, M.; Kopeček, Jaromír

    2012-01-01

    Roč. 122, č. 3 (2012), s. 618-621 ISSN 0587-4246. [International Symposium on Physics of Materials, ISPMA /12./. Praha, 04.09.2011-08.09.2011] R&D Projects: GA ČR(CZ) GAP107/10/0438 Institutional research plan: CEZ:AV0Z10100520 Keywords : atomic force microscopy * Fe 3 Al * TEM Subject RIV: JG - Metallurgy Impact factor: 0.531, year: 2012

  17. Effect of the Cu and Ni content on the crystallization temperature and crystallization mechanism of La–Al–Cu(Ni metallic glasses

    Peiyou Li

    2016-02-01

    Full Text Available The effect of the Cu and Ni content on the crystallization mechanism and the crystallization temperatures of La–Al–Cu(Ni metallic glasses (MGs was studied by differential scanning calorimetry (DSC. The experimental results have shown that the DSC curves obtained for the La–Al–Cu and La–Al–Ni MGs exhibit two and three crystallization temperatures, respectively. The crystallization temperatures of the La–Al–Cu and La–Al–Ni MGs result from the merging and splitting of thermal events related to the corresponding eutectic atomic pairs in the La72Cu28 and La81.6Al18.4 MGs, and La72Ni28 and La81.6Al18.4 MGs, respectively. In addition, Al- and Ni-containing clusters with weak or strong atomic interaction in the Al–Ni atomic pairs strongly affect the crystallization mechanism and thus the crystallization temperature of La–Al–Ni MGs. This study provides a novel understanding of the relation between the crystallization temperature and the underlying crystallization mechanisms in La–Al–Cu(Ni MGs.

  18. Paramagnetic Spin Correlations in CaFe2As2 Single Crystals

    Omar Diallo, Souleymane; Pratt, Daniel; Fernandes, Rafael; Tian, Wei; Zarestky, J.L.; Lumsden, Mark D.; Perring, T.G.; Broholm, C.; Ni, Ni; Budko, S.L.; Canfield, Paul; Li, Haifeng; Vaknin, D.; Kreyssig, A.; Goldman, A.I.; Mcqueeney, R.J.

    2010-01-01

    Magnetic correlations in the paramagnetic phase of CaFe2As2(TN=172 K) have been examined by means of inelastic neutron scattering from 180 K ( 1.05TN) up to 300 K (1.8TN). Despite the first-order nature of the magnetic ordering, strong but short-ranged antiferromagnetic (AFM) correlations are clearly observed. These correlations, which consist of quasielastic scattering centered at the wave vector QAFM of the low-temperature AFM structure, are observed up to the highest measured temperature of 300 K and at high energy transfer ( >60 meV). The L dependence of the scattering implies rather weak interlayer coupling in the tetragonal c direction corresponding to nearly two-dimensional fluctuations in the (ab) plane. The spin correlation lengths within the Fe layer are found to be anisotropic, consistent with underlying fluctuations of the AFM stripe structure. Similar to the cobalt-doped superconducting BaFe2As2 compounds, these experimental features can be adequately reproduced by a scattering model that describes short-ranged and anisotropic spin correlations with overdamped dynamics.

  19. Electron-irradiation induced changes in structural and magnetic properties of Fe and Co based metallic glasses

    Kane, S.N., E-mail: kane_sn@yahoo.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Satalkar, M., E-mail: satalkar.manvi@gmail.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghosh, A.; Shah, M. [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghodke, N. [UGC-DAE CSR, University Campus, Khandwa Road, Indore 452001 (India); Pramod, R.; Sinha, A.K.; Singh, M.N.; Dwivedi, J. [Raja Ramanna Centre for Advanced Technology, P.O. CAT, Indore 452013 (India); Coisson, M.; Celegato, F.; Vinai, F.; Tiberto, P. [INRIM, Electromagnetism Division, Strada Delle Cacce 91, I-10135 TO (Italy); Varga, L.K. [RISSPO, Hungarian Academy of Sciences, P.O. Box 49, 1525 Budapest (Hungary)

    2014-12-05

    Highlights: • Enhancement of Ms by low electron irradiation dose in Fe-based alloy. • Variation of magnetic properties by electron irradiation induced ordered phase. • Electron irradiation alters TM-TM distance and, magnetic properties. - Abstract: Electron-irradiation induced changes in structural and, magnetic properties of Co{sub 57.6}Fe{sub 14.4}Si{sub 4.8}B{sub 19.2}Nb{sub 4}, Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} and, Co{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} metallic glasses were studied using magnetic hysteresis and, synchrotron X-ray diffraction measurements. Results reveal composition dependent changes of magnetic properties in electron irradiated metallic glasses. A low electron irradiation dose (15 kGy) enhances saturation magnetization (up to 62%) in Fe-based alloy (Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4}). Synchrotron XRD measurements reveal that electron irradiation transforms the amorphous matrix to a more ordered phase, accountable for changes in magnetic properties.

  20. Crystal field parameters with Wannier functions: application to Nd.sub.2./sub.Fe.sub.14./sub.B systems

    Yoshioka, T.; Tsuchiura, H.; Novák, Pavel

    2015-01-01

    Roč. 19, Sup.3 (2015), S4-S8 ISSN 1432-8917 Institutional support: RVO:68378271 Keywords : crystal field parameters * Nd-Fe-B permanent magnet Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.830, year: 2014

  1. Fabrication of Three Dimensional Cu Metallic Photonic Crystal by Electroless Plating

    Wu, S-C; Hou, F-J; Jian, P-C Jang-; Tsai, M-S; Chen, M-C; Li, L-S; Huang, J-Y; Lin, S-Y

    2007-01-01

    A 3D copper (Cu) metallic photonic crystal (MPC) with 180nm line width was fabricated by electroless plating. The mold of 3D MPC for Cu replacement is poly-Si. It has been verified as an enhancing thermal photovoltaic effect while the mold was transferred into tungsten MPC by chemical vapor deposition method. The 5 layers structure of Cu MPC was clear observed with scanning electron microscopy. The photonic band-gap ranged from 1.5 to 13 μm was measured by Fourier transform infrared spectroscopy (FTIR) instrument

  2. Thermal annealing and pressure effects on BaFe2-xCoxAs2 single crystals.

    Shin, Dongwon; Jung, Soon-Gil; Prathiba, G; Seo, Soonbeom; Choi, Ki-Young; Kim, Kee Hoon; Park, Tuson

    2017-11-26

    We investigate the pressure and thermal annealing effects on BaFe2-xCoxAs2 (Co-Ba122) single crystals with x = 0.1 and 0.17 via electrical transport measurements. The thermal annealing treatment not only enhances the superconducting transition temperature (Tc) from 9.6 to 12.7 K for x = 0.1 and from 18.1 to 21.0 K for x = 0.17, but also increases the antiferromagnetic transition temperature (TN). Simultaneous enhancement of Tc and TN by the thermal annealing treatment indicates that thermal annealing could substantially improve the quality of the Co-doped Ba122 samples. Interestingly, Tc of the Co-Ba122 compounds shows a scaling behavior with a linear dependence on the resistivity value at 290 K, irrespective of tuning parameters, such as chemical doping, pressure, and thermal annealing. These results not only provide an effective way to access the intrinsic properties of the BaFe2As2 system, but also may shed a light on designing new materials with higher superconducting transition temperature. © 2017 IOP Publishing Ltd.

  3. Development of Fe-B Based Bulk Metallic Glasses: Morphology of Residual Phases in Fe50Ni16Mo6B18Zr10 Glass

    Tiburce A. Aboki

    2013-04-01

    Full Text Available Iron-boron based bulk metallic glasses (BMG development has been initiated using Fe40Ni38Mo4B18 as precursor. Addition of zirconium up to 10 atomic % along with the reduction of Ni proportion improves the glass forming ability (GFA, which is optimum when Ni is suppressed in the alloy. However melting instability occurred during the materials fabrication resulting in the formation of residual crystalline phases closely related to the amorphous phase. Microstructure study shows an evolution from amorphous structure to peculiar acicular structure, particularly for Fe50Ni16Mo6B18Zr10, suggesting the amorphous structure as interconnected atomic sheets like “atomic mille feuilles” whose growth affects the alloys’ GFA.

  4. Response of metallic glasses Fe40Ni40P14B6 and Fe80B20 to irradiation with 800-MeV protons

    Cost, J.R.; Sommer, W.F.

    1981-01-01

    Metallic glasses with compositions of Fe 40 Ni 40 P 14 B 6 and Fe 80 B 20 were irradiated in the 800 MeV proton beam at the Los Alamos Meson Physics Facility while the electrical resistance and length changes were monitored. The resistance and the length of the first alloy were both found to increase and saturate with dose to ΔR/R approx. = 5 x 10 -3 and ΔL/L approx. = 2 x 10 -3 . For the second alloy the total dose of 1.1 x 10 19 p/cm 2 , which was calculated to give roughly 0.12 dpa, was slightly less than that required for saturation. No annealing of these increases was observed for anneals from room temperature to 250 0 C. These results are interpreted in terms of a model in which collision cascades create small regions of increased atomic disorder which fully overlap each other at saturation

  5. Fe3O4/Reduced Graphene Oxide Nanocomposite: Synthesis and Its Application for Toxic Metal Ion Removal

    Nguyen Thi Vuong Hoan

    2016-01-01

    Full Text Available The synthesis of reduced graphene oxide modified by magnetic iron oxide (Fe3O4/rGO and its application for heavy metals removal were demonstrated. The obtained samples were characterized by X-ray diffraction (XRD, nitrogen adsorption/desorption isotherms, X-ray photoelectron spectroscopy (XPS, Fourier transform infrared spectroscopy (FT-IR, and magnetic measurement. The results showed that the obtained graphene oxide (GO contains a small part of initial graphite as well as reduced oxide graphene. GO exhibits very high surface area in comparison with initial graphite. The morphology of Fe3O4/rGO consists of very fine spherical iron nanooxide particles in nanoscale. The formal kinetics and adsorption isotherms of As(V, Ni(II, and Pb(II over obtained Fe3O4/rGO have been investigated. Fe3O4/rGO exhibits excellent heavy metal ions adsorption indicating that it is a potential adsorbent for water sources contaminated by heavy metals.

  6. Crystal structures of lazulite-type oxidephosphates TiIIITiIV3O3(PO4)3 and MIII4TiIV27O24(PO4)24 (MIII=Ti, Cr, Fe)

    Schoeneborn, M.; Glaum, R.; Reinauer, F.

    2008-01-01

    Single crystals of the oxidephosphates Ti III Ti IV 3 O 3 (PO 4 ) 3 (black), Cr III 4 Ti IV 27 O 24 (PO 4 ) 24 (red-brown, transparent), and Fe III 4 Ti IV 27 O 24 (PO 4 ) 24 (brown) with edge-lengths up to 0.3 mm were grown by chemical vapour transport. The crystal structures of these orthorhombic members (space group F2dd ) of the lazulite/lipscombite structure family were refined from single-crystal data [Ti III Ti IV 3 O 3 (PO 4 ) 3 : Z=24, a=7.3261(9) A, b=22.166(5) A, c=39.239(8) A, R 1 =0.029, wR 2 =0.084, 6055 independent reflections, 301 variables; Cr III 4 Ti IV 27 O 24 (PO 4 ) 24 : Z=1, a=7.419(3) A, b=21.640(5) A, c=13.057(4) A, R 1 =0.037, wR 2 =0.097, 1524 independent reflections, 111 variables; Fe III 4 Ti IV 27 O 24 (PO 4 ) 24 : Z=1, a=7.4001(9) A, b=21.7503(2) A, c=12.775(3) A, R 1 =0.049, wR 2 =0.140, 1240 independent reflections, 112 variables). For Ti III Ti IV O 3 (PO 4 ) 3 a well-ordered structure built from dimers [Ti III,IV 2 O 9 ] and [Ti IV,IV 2 O 9 ] and phosphate tetrahedra is found. The metal sites in the crystal structures of Cr 4 Ti 27 O 24 (PO 4 ) 24 and Fe 4 Ti 27 O 24 (PO 4 ) 24 , consisting of dimers [M III Ti IV O 9 ] and [Ti IV,IV 2 O 9 ], monomeric [Ti IV O 6 ] octahedra, and phosphate tetrahedra, are heavily disordered. Site disorder, leading to partial occupancy of all octahedral voids of the parent lipscombite/lazulite structure, as well as splitting of the metal positions is observed. According to Guinier photographs Ti III 4 Ti IV 27 O 24 (PO 4 ) 24 (a=7.418(2) A, b=21.933(6) A, c=12.948(7) A) is isotypic to the oxidephosphates M III 4 Ti IV 27 O 24 (PO 4 ) 24 (M III : Cr, Fe). The UV/vis spectrum of Cr 4 Ti 27 O 24 (PO 4 ) 24 reveals a rather small ligand-field splitting Δ o =14,370 cm -1 and a very low nephelauxetic ratio β=0.72 for the chromophores [Cr III O 6 ] within the dimers [Cr III Ti IV O 9 ]. - Graphical abstract: Single crystals of the oxidephosphates Ti III Ti IV 3 O 3 (PO 4 ) 3 (black), Cr III 4 Ti IV 27 O

  7. Control of Partial Coalescence of Self-Assembled Metal Nano-Particles across Lyotropic Liquid Crystals Templates towards Long Range Meso-Porous Metal Frameworks Design

    Ludovic F. Dumée

    2015-10-01

    Full Text Available The formation of purely metallic meso-porous metal thin films by partial interface coalescence of self-assembled metal nano-particles across aqueous solutions of Pluronics triblock lyotropic liquid crystals is demonstrated for the first time. Small angle X-ray scattering was used to study the influence of the thin film composition and processing conditions on the ordered structures. The structural characteristics of the meso-structures formed demonstrated to primarily rely on the lyotropic liquid crystal properties while the nature of the metal nano-particles used as well as the their diameters were found to affect the ordered structure formation. The impact of the annealing temperature on the nano-particle coalescence and efficiency at removing the templating lyotropic liquid crystals was also analysed. It is demonstrated that the lyotropic liquid crystal is rendered slightly less thermally stable, upon mixing with metal nano-particles and that low annealing temperatures are sufficient to form purely metallic frameworks with average pore size distributions smaller than 500 nm and porosity around 45% with potential application in sensing, catalysis, nanoscale heat exchange, and molecular separation.

  8. In vitro corrosion properties and cytocompatibility of Fe-Ga alloys as potential biodegradable metallic materials.

    Wang, Henan; Zheng, Yang; Liu, Jinghua; Jiang, Chengbao; Li, Yan

    2017-02-01

    The in vitro biodegradable properties and cytocompatibility of Fe-Ga alloys including Fe 81 Ga 19 , (Fe 81 Ga 19 ) 98 B 2 and (Fe 81 Ga 19 ) 99.5 (TaC) 0.5 , and pure Fe were investigated for biomedical applications. The microstructure of the alloys was characterized using X-ray diffraction spectroscopy and optical microscopy. The results showed that A2 and D0 3 phases were detected for the three types of Fe-Ga alloys, and additional Fe 2 B and TaC phases were found in the (Fe 81 Ga 19 ) 98 B 2 and (Fe 81 Ga 19 ) 99.5 (TaC) 0.5 alloys, respectively. The corrosion rates of the Fe-Ga alloys were higher than that of pure Fe, as demonstrated by both potentiodynamic polarization measurements and immersion tests in simulated body fluid. The alloying element Ga lowered the corrosion potential of the Fe matrix and made it more susceptible to corrosion. Severe pitting corrosion developed on the surface of the Fe 81 Ga 19 alloy after the addition of ternary B or TaC due to the multi-phase microstructures. The MC3T3-E1 cells exhibited good adhesion and proliferation behavior on the surfaces of the Fe-Ga alloys after culture for 4h and 24h. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

    Jing, Dapeng [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layer up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 K. The SR exhibits anisotropic island diffusion and the OR exhibits 1D decay of island

  10. Metallic oxide nano-clusters synthesis by ion implantation in high purity Fe10Cr alloy

    Zheng, Ce

    2015-01-01

    ODS (Oxide Dispersed Strengthened) steels, which are reinforced with metal dispersions of nano-oxides (based on Y, Ti and O elements), are promising materials for future nuclear reactors. The detailed understanding of the mechanisms involved in the precipitation of these nano-oxides would improve manufacturing and mechanical properties of these ODS steels, with a strong economic impact for their industrialization. To experimentally study these mechanisms, an analytical approach by ion implantation is used, to control various parameters of synthesis of these precipitates as the temperature and concentration. This study demonstrated the feasibility of this method and concerned the behaviour of alloys models (based on aluminium oxide) under thermal annealing. High purity Fe-10Cr alloys were implanted with Al and O ions at room temperature. Transmission electron microscopy observations showed that the nano-oxides appear in the Fe-10Cr matrix upon ion implantation at room temperature without subsequent annealing. The mobility of implanted elements is caused by the defects created during ion implantation, allowing the nucleation of these nanoparticles, of a few nm in diameter. These nanoparticles are composed of aluminium and oxygen, and also chromium. The high-resolution experiments show that their crystallographic structure is that of a non-equilibrium compound of aluminium oxide (cubic γ-Al 2 O 3 type). The heat treatment performed after implantation induces the growth of the nano-sized oxides, and a phase change that tends to balance to the equilibrium structure (hexagonal α-Al 2 O 3 type). These results on model alloys are fully applicable to industrial materials: indeed ion implantation reproduces the conditions of milling and heat treatments are at equivalent temperatures to those of thermo-mechanical treatments. A mechanism involving the precipitation of nano-oxide dispersed in ODS alloys is proposed in this manuscript based on the obtained experimental results

  11. In vitro corrosion properties and cytocompatibility of Fe-Ga alloys as potential biodegradable metallic materials

    Wang, Henan; Zheng, Yang; Liu, Jinghua; Jiang, Chengbao; Li, Yan, E-mail: liyan@buaa.edu.cn

    2017-02-01

    The in vitro biodegradable properties and cytocompatibility of Fe-Ga alloys including Fe{sub 81}Ga{sub 19}, (Fe{sub 81}Ga{sub 19}){sub 98}B{sub 2} and (Fe{sub 81}Ga{sub 19}){sub 99.5}(TaC){sub 0.5}, and pure Fe were investigated for biomedical applications. The microstructure of the alloys was characterized using X-ray diffraction spectroscopy and optical microscopy. The results showed that A2 and D0{sub 3} phases were detected for the three types of Fe-Ga alloys, and additional Fe{sub 2}B and TaC phases were found in the (Fe{sub 81}Ga{sub 19}){sub 98}B{sub 2} and (Fe{sub 81}Ga{sub 19}){sub 99.5}(TaC){sub 0.5} alloys, respectively. The corrosion rates of the Fe-Ga alloys were higher than that of pure Fe, as demonstrated by both potentiodynamic polarization measurements and immersion tests in simulated body fluid. The alloying element Ga lowered the corrosion potential of the Fe matrix and made it more susceptible to corrosion. Severe pitting corrosion developed on the surface of the Fe{sub 81}Ga{sub 19} alloy after the addition of ternary B or TaC due to the multi-phase microstructures. The MC3T3-E1 cells exhibited good adhesion and proliferation behavior on the surfaces of the Fe-Ga alloys after culture for 4 h and 24 h. - Highlights: • Fe-Ga alloys showed a higher degradation rate than pure Fe. • Fe-Ga alloys exhibited good cytocompatibility for the MC3T3-E1 cells. • The MC3T3-E1 cells were tolerable to the corrosion products of Fe-Ga alloys.

  12. The Study of Quantum Interference in Metallic Photonic Crystals Doped with Four-Level Quantum Dots

    Hatef Ali

    2010-01-01

    Full Text Available Abstract In this work, the absorption coefficient of a metallic photonic crystal doped with nanoparticles has been obtained using numerical simulation techniques. The effects of quantum interference and the concentration of doped particles on the absorption coefficient of the system have been investigated. The nanoparticles have been considered as semiconductor quantum dots which behave as a four-level quantum system and are driven by a single coherent laser field. The results show that changing the position of the photonic band gap about the resonant energy of the two lower levels directly affects the decay rate, and the system can be switched between transparent and opaque states if the probe laser field is tuned to the resonance frequency. These results provide an application for metallic nanostructures in the fabrication of new optical switches and photonic devices.

  13. Growth, and magnetic study of Sm0.4Er0.6FeO3 single crystal grown by optical floating zone technique

    Wu, Anhua; Zhao, Xiangyang; Man, Peiwen; Su, Liangbi; Kalashnikova, A. M.; Pisarev, R. V.

    2018-03-01

    Sm0.4Er0.6FeO3 single crystals were successfully grown by optical floating zone method; high quality samples with various orientations were manufactured. Based on these samples, Magnetic property of Sm0.4Er0.6FeO3 single crystals were investigated systemically by means of the temperature dependence of magnetization. It indicated that compositional variations not only alter the spin reorientation temperature, but also the compensation temperature of the orthoferrites. Unlike single rare earth orthoferrites, the reversal transition temperature point of Sm0.4Er0.6FeO3 increases as magnetic field increases, which is positive for designing novel spin switching or magnetic sensor device.

  14. Influence of surrounding atmosphere on crystallization of as-quenched Fe-Ni-Zr ribbon

    Roupcová, Pavla; Schneeweiss, Oldřich; Bezdička, Petr; Petrovič, P.

    2006-01-01

    Roč. 44, č. 3 (2006), s. 127-132 ISSN 0023-432X R&D Projects: GA MŠk 1M0512 Institutional research plan: CEZ:AV0Z20410507; CEZ:AV0Z40320502 Keywords : as-quenched material * kinetics of crystallization * Mossbauer spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.138, year: 2006

  15. Contamination assessment of heavy metals in the soils around Khouzestan Steel Company (Ni, Mn, Pb, Fe, Zn, Cr)

    Hormozi Nejad, F.; Rastmanesh, F.; Zarasvandi, A.

    2016-01-01

    The highest concentrations were found at soil samples 4 and 12. Comparison of heavy metals concentration with unpolluted soil standard indicated that, concentrations of Cr, Zn, Fe, Ni and Pb is higher than that of unpolluted soil standard. In general, Manganese, Chromium, Zinc and Lead are the most important elements that are found in emissions of steel plants. The soil samples near the steel plant and downwind direction have much higher pollution level. The results showed that Mn, Pb and Zn is related to human activity and Cr have geogenic source and Fe and Ni have both geogenic and anthropogenic source in the study area in the city of Ahwaz.

  16. Effect of heat treatment on the electrochemical behaviour and catalytic activity of metal-glass of an Fe76.1Cu1.0Nb3.0Si13.8B6.1

    Zhdanova, L.I.; Sharipova, E.Kh.; Lad'yanov, V.I.; Volkov, V.A.

    1999-01-01

    Effect of the different degree of the initial surface crystallization of Fe 76.1 Cu 1.0 Nb 3.0 Si 13.8 B 6.1 metal glasses on the electrochemical behaviour and catalytic activity of the alloy during thermal treatment of tapes was studied. Growth of amorphous-nanocrystalline structure during annealing is shown to improve protective properties of fast-hardened tapes. The highest corrosion resistance of the material is manifested when in nanocrystalline state subsequent to annealing under 550 deg C [ru

  17. Emissions from a Diesel Engine using Fe-based Fuel Additives and a Sintered Metal Filtration System.

    Bugarski, Aleksandar D; Hummer, Jon A; Stachulak, Jozef S; Miller, Arthur; Patts, Larry D; Cauda, Emanuele G

    2016-03-01

    A series of laboratory tests were conducted to assess the effects of Fe-containing fuel additives on aerosols emitted by a diesel engine retrofitted with a sintered metal filter (SMF) system. Emission measurements performed upstream and downstream of the SMF system were compared, for cases when the engine was fueled with neat ultralow sulfur diesel (ULSD) and with ULSD treated with two formulations of additives containing Fe-based catalysts. The effects were assessed for four steady-state engine operating conditions and one transient cycle. The results showed that the SMF system reduced the average total number and surface area concentrations of aerosols by more than 100-fold. The total mass and elemental carbon results confirmed that the SMF system was indeed very effective in the removal of diesel aerosols. When added at the recommended concentrations (30 p.p.m. of iron), the tested additives had minor adverse impacts on the number, surface area, and mass concentrations of filter-out (FOut) aerosols. For one of the test cases, the additives may have contributed to measurable concentrations of engine-out (EOut) nucleation mode aerosols. The additives had only a minor impact on the concentration and size distribution of volatile and semi-volatile FOut aerosols. Metal analysis showed that the introduction of Fe with the additives substantially increased Fe concentration in the EOut, but the SMF system was effective in removal of Fe-containing aerosols. The FOut Fe concentrations for all three tested fuels were found to be much lower than the corresponding EOut Fe concentrations for the case of untreated ULSD fuel. The results support recommendations that these additives should not be used in diesel engines unless they are equipped with exhaust filtration systems. Since the tested SMF system was found to be very efficient in removing Fe introduced by the additives, the use of these additives should not result in a measurable increase in emissions of de novo generated

  18. Moessbauer studies of single crystal Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3

    Uhm, Y R; Kim, C S; Tomioka, Y; Tokura, Y

    2000-01-01

    Single crystal Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 was synthesized by using the floating zone method and the relation of magnetic properties and charge ordering transition with lattice dynamics was systematically investigated. Moessbauer spectra of Pr sub 1 sub / sub 3 sub S r sub 2 sub / sub 3 FeO sub 3 were taken at various temperatures ranging from 20 K to room temperature. The charge disproportionation, in which iron with valence states Fe sup 3 sup + and Fe sup 5 sup + was found in a ratio of 2:1, was detected in Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 below 190+-3 K. Iron with valence state Fe sup 4 sup + coexisted in Pr sub 1 sub / sub 3 sub S r sub 2 sub / sub 3 FeO sub 3 at and above 150 K, and its ratio increased from 13 to 66 % with increasing temperature. This result means that charge-ordered and -disordered phases co-exist in Pr sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3.

  19. Epitaxial growth of bcc-Fe{sub x}Co{sub 100-x} thin films on MgO(1 1 0) single-crystal substrates

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.j [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Nishiyama, Tsutomu; Shikada, Kouhei [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2010-07-15

    Fe{sub x}Co{sub 100-x} (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe{sub x}Co{sub 100-x} film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe{sub x}Co{sub 100-x} crystals with very small errors less than +-0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe{sub 50}Co{sub 50}/MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  20. Donnan membrane speciation of Al, Fe, trace metals and REEs in coastal lowland acid sulfate soil-impacted drainage waters.

    Jones, Adele M; Xue, Youjia; Kinsela, Andrew S; Wilcken, Klaus M; Collins, Richard N

    2016-03-15

    Donnan dialysis has been applied to forty filtered drainage waters collected from five coastal lowland acid sulfate soil (CLASS) catchments across north-eastern NSW, Australia. Despite having average pH values70%) as negatively-charged complexes. In contrast, the speciation of the divalent trace metals Co, Mn, Ni and Zn was dominated by positively-charged complexes and was strongly correlated with the alkaline earth metals Ca and Mg. Thermodynamic equilibrium speciation calculations indicated that natural organic matter (NOM) complexes dominated Fe(III) speciation in agreement with that obtained by Donnan dialysis. In the case of Fe(II), however, the free cation was predicted to dominate under thermodynamic equilibrium, whilst our results indicated that Fe(II) was mainly present as neutral or negatively-charged complexes (most likely with sulfate). For all other divalent metals thermodynamic equilibrium speciation calculations agreed well with the Donnan dialysis results. The proportion of Al and REEs predicted to be negatively-charged was also grossly underestimated, relative to the experimental results, highlighting possible inaccuracies in the stability constants developed for these trivalent Me(SO4)2(-) and/or Me-NOM complexes and difficulties in modeling complex environmental samples. These results will help improve metal mobility and toxicity models developed for CLASS-affected environments, and also demonstrate that Australian CLASS environments can discharge REEs at concentrations an order of magnitude greater than previously reported. Copyright © 2015 Elsevier B.V. All rights reserved.