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At least 1,351 records · Page 75
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DOE OSTI2014

Optical conductivity of Ni{sub 1−x}Pt{sub x} alloys (0<x<0.25) from 0.76 to 6.6 eV

Using spectroscopic ellipsometry and Drude-Lorentz oscillator fitting, we determined the dielectric function and optical conductivity versus photon energy from 0.76 to 6.6 eV of 10 nm thick Ni{sub 1−x}Pt{sub x} alloy (0<x<0.25) films deposited on thick thermal oxides. We find absorption peaks near 1.6 and 5.0 eV due to interband optical transitions. There is a significant broadening of the UV peak with increasing Pt content, since the bandwidth of the 3d electrons in Ni is smaller than that of the 5d bands in Pt. Our experimental observation is consistent with ab initio calculations of the density of states for Ni, Pt, and the Ni{sub 3}Pt compound. Annealing the metals at 500°C for 30 s increases the optical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High temperature ferromagnetism in Ni doped ZnO nanoparticles: Milling time dependence

We report on the room temperature ferromagnetism (RT FM) in the Zn{sub 1−x}Ni{sub x}O (x = 0, 0.03, and 0.05) nanoparticles (NPs) synthesized by a ball milling technique. X-ray diffraction analysis confirms the single crystalline ZnO wurtzite structure with presence of small intensity secondary phase related peak which disappear with increasing milling time for Ni doped samples. HRTEM lattice images show that the doped NPs are single crystalline with a dspacing of 2.44 Å. Energy-dispersive X-ray spectroscopy analysis confirms the presence of Ni ions in the ZnO matrix. Magnetic measurement (RT) exhibits the hysteresis loop with saturation magnetization (M{sub s}) of 1.6–2.56 (emu/g) and coercive field (H{sub c}) of 296–322 Oe. M-T measurement shows a Curie temperature of the order of 325°C for 3% Ni doped sample. Micro -Raman studies show doping/disorder induced additional modes at ∼510, 547, 572 cm{sup −1} in addition to 437 cm{sup −1} peak of pure ZnO. UV-Vis absorption spectra illustrate band gap shift due to doping. Alteration of M{sub s} value with the variation of doping concentration and milling time has been studied and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal properties of Ni-substituted LaCoO{sub 3} perovskite

With the objective of exploring the unknown thermodynamic behavior of LaCo{sub 1−x}Ni{sub x}O{sub 3} family, we present here an investigation of the temperature-dependent (10K ≤ T ≤ 300K) thermodynamic properties of LaCo{sub 1−x}Ni{sub x}O{sub 3} (x=0.1, 0.3, 0.5). The specific heat of LaCoO3 with Ni doping in the perovskite structure at B-site has been studied by means of a Modified Rigid Ion Model (MRIM). This replacement introduces large cation variance at B-site hence the specific heat increases appreciably. We report here probably for the first time the cohesive energy, Reststrahlen frequency (υ) and Debye temperature (θ{sub D}) of LaCo{sub 1−x}Ni{sub x}O{sub 3} compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Martensitic transformation and phase stability of In-doped Ni-Mn-Sn shape memory alloys from first-principles calculations

The effect of the alloying element Indium (In) on the martensitic transition, magnetic properties, and phase stabilities of Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} shape memory alloys has been investigated using the first-principles pseudopotential plane-wave method based on density functional theory. The energy difference between the austenitic and martensitic phases was found to increase with increasing In content, which implies an enhancement of the martensitic phase transition temperature (T{sub M}). Moreover, the formation energy results indicate that In-doping increases the relative stability of Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} both in austenite and martensite. This results from a reduction in density of states near the Fermi level regions caused by Ni-3d–In-5p hybridization when Sn is replaced by In. The equilibrium equation of state results show that the alloys Ni{sub 8}Mn{sub 6}Sn{sub 2−x}In{sub x} exhibit an energetically degenerated effect for an In content of x = ∼1.5. This implies the coexistence of antiparallel and parallel configurations in the austenite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structural aspects of glass-formation in Ni-Nb melts

We report on investigations of the static structure factors of glass-forming Ni{sub 59.5}Nb{sub 40.5} alloy melts by combination of the containerless processing technique of electrostatic levitation with neutron diffraction. By application of the isotopic substitution method, the full set of partial structure factors was determined. The short-range order in liquid Ni{sub 59.5}Nb{sub 40.5} is characterized by a large nearest neighbor coordination number of Z{sub NN} = 14.3 and a chemical short-range order with an affinity for the formation of heterogeneous Nb-Ni nearest neighbors. The structure factors observed here in the liquid state closely resemble those reported for amorphous Nb-Ni solids. The comparison with earlier results on the short-range structure in Zr-based glass-forming melts suggests that a large local density of packing, chemical order, and structural frustration are, amongst others, common structural properties of these metallic glass-forming systems, which favor glass-formation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Temperature dependent dielectric and magnetic properties of GdFe{sub 1−x}Ni{sub x}O{sub 3} (0.0 ≤ x ≤ 0.3) orthoferrites

The polycrystalline samples of GdFe{sub 1−x}Ni{sub x}O{sub 3} (x = 0.0, 0.1, 0.2, 0.3) orthoferrites are synthesized via solid state reaction route. The Rietveld fitted X-ray diffraction patterns confirm the formation of orthorhombic phase with Pbnm space group for all the samples. The dielectric measurements reveal an enhancement in dielectric constant and tangent loss with increase in both temperature as well as Nickel (Ni) substitution. Dielectric studies are also in support with the induction of delocalized charge carriers in the GdFeO{sub 3} matrix with increasing Ni doping. Magnetization versus applied field study shows the non-saturating hysteresis curves suggesting the canted type antiferromagnetic behavior in the considered orthoferrites. Moreover, the observed magnetic behavior is complex and the doping affects the magnitude of magnetization differently at 300 K and 80 K. It has further been noticed that the incorporated Ni{sup 3+} ions enhances the symmetry of the magnetization curves. The as-prepared samples may find their applications in the decoupling capacitors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Neutron diffraction studies for realtime leaching of catalytic Ni

The leaching of Al from intermetallic samples of Nickel Aluminium alloys to form Raney-type nickel catalysts is widely used in the hydrogenation industry, however, little is known of the leaching process itself. In this study, the leaching of Al was measured in realtime, in situ, using the high-flux powder neutron diffractometer, D20, at the Institut Laue-Langevin. Despite the liberation of hydrogen and effervescent nature of the reaction the transformation of the dry powder phases into Raney-type Ni was determined. Samples produced by gas-atomisation were found to leach faster than those produced using the cast and crushed technique. Regardless of processing route of the precursor powder, the formation of spongy-Ni occurs almost immediately, while Ni{sub 2}Al{sub 3} and NiAl{sub 3} continue to transform over longer periods of time. Small-angle scattering and broadening of the diffraction peaks is an evidence for the formation of the smaller Ni particles. Understanding the kinetics of the leaching process will allow industry to refine production of catalysts for optimum manufacturing time while knowledge of leaching dynamics of powders produced by different manufacturing techniques will allow further tailoring of catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Discovery of a thermally persistent h.c.p. solid-solution phase in the Ni-W system

Although the accepted Ni-W phase diagram does not reveal the existence of h.c.p.-based phases, h.c.p.-like stacking sequences were observed in magnetron-co-sputtered Ni-W thin films at W contents of 20 to 25 at. %, by using transmission electron microscopy and X-ray diffraction. The occurrence of this h.c.p.-like solid-solution phase could be rationalized by first-principles calculations, showing that the vicinity of the system's ground-state line is populated with metastable h.c.p.-based superstructures in the intermediate concentration range from 20 to 50 at. % W. The h.c.p.-like stacking in Ni-W films was observed to be thermally persistent, up to temperatures as high as at least 850 K, as evidenced by extensive X-ray diffraction analyses on specimens before and after annealing treatments. The tendency of Ni-W for excessive planar faulting is discussed in the light of these new findings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effect of nanosized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} on the transport critical current density of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} superconductor

The effects of nano-sized Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} addition on the superconducting and transport properties of Bi{sub 1.6}Pb{sub 0.4}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10} (Bi-2223) in bulk form has been investigated. Bi-2223 superconductor was fabricated using co-precipitation method and 0.01 – 0.05 wt% of Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles with average size of 20 nm were added into the samples. The critical temperature (T{sub c}) and critical current density (J{sub c}) of the samples were measured by using the four-point probe method, while the phase formation and microstructure of the samples were examined using x-ray diffraction and SEM respectively. It was found that J{sub c} of all samples added with Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} were higher than non-added sample, with x = 0.01 wt. % sample showing the highest J{sub c}. This study showed that small addition of nano-Co{sub 0.5}Ni{sub 0.5}Fe{sub 2}O{sub 4} can effectively enhance the transport critical current density in Bi-2223 superconductor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Role of Ni doping on transport properties of ZnO thin films

Nickel doped (Ni=0.05) and undoped Zinc Oxide (ZnO) thin films have been prepared by Pulsed laser deposition (PLD) technique. The structural analysis of the films was done by X-ray diffraction (XRD) studies which reveal absence of any secondary phase in the prepared samples. UV transmission spectra show that Ni doping reduces the transparency of the films. X-ray Photoelectron spectroscopy (XPS) also shows the presence of metallic Ni along with +2 oxidation state in the sample. Low temperature magneto transport properties of the ZnO and NiZnO films are also discussed in view of Khosla fisher model. Ni doping in ZnO results in decrease in magnitude of negative MR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Magnetism switching and band-gap narrowing in Ni-doped PbTiO{sub 3} thin films

Ions doping-driven structural phase transition accompanied by magnetism switching and band-gap narrowing effects has been observed in PbTi{sub 1−x}Ni{sub x}O{sub 3−δ} (xPTNO, x = 0.00, 0.06, and 0.33) thin films. With the increase of x, the xPTNO thin films exhibit not only a phase transition from the pseudotetragonal structure to a centrosymmetric cubic structure but also a drastic decrease of grain size. Moreover, the as-grown Ni-doped PbTiO{sub 3} (PTO) thin films show obvious room-temperature ferromagnetism and an increased saturation magnetization with increasing the Ni content, in contrast to undoped PTO, which shows diamagnetism. A bound magnetic polaron model was proposed to understand the observed ferromagnetic behavior of PTO-derived perovskite thin films. Furthermore, the 0.33PTNO thin film presents a narrowed band-gap, much smaller than that of PTO, which is attributed to new states of both the highest occupied molecular orbital and the lowest unoccupied molecular orbital in an electronic structure with the presence of Ni. These findings may open up a route to explore promising perovskite oxides as candidate materials for use in multiferroics and solar-energy devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures. The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ion irradiation induced element-enriched and depleted nanostructures in Zr-Al-Cu-Ni metallic glass

The microstructural evolution of a Zr-Al-Cu-Ni metallic glass induced by irradiation with Ar ions was investigated. Under ion irradiation, the Cu- and Ni-enriched nanostructures (diameter of 30–50 nm) consisted of crystalline and amorphous structures were formed. Further, Cu- and Ni-depleted nanostructures with diameters of 5–20 nm were also observed. The formation of these nanostructures can be ascribed to the migration of Cu and Ni atoms in the irradiated metallic glass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

Solid-state dewetting is used to fabricate supersaturated, submicron-sized Au-Ni solid solution particles out of thin Au/Ni bilayers by means of a rapid thermal annealing technique. Phase separation in such particles is studied with respect to their equilibrium crystal (or Wulff) shape by subsequent annealing at elevated temperature. It is found that (100) faceting planes of the equilibrated particles are enriched with Ni and (111) faces with Au. Both phases are considered by quantum-mechanical calculations in combination with an error-reduction scheme that was developed to compensate for a missing exchange-correlation potential that would reliably describe both Au and Ni. The observed phase configuration is then related to the minimization of strongly anisotropic elastic energies of Au- and Ni-rich phases and results in a rather unique nanoparticle composite state that is characterized by nearly uniform value of elastic response to epitaxial strains all over the faceted surface. The same conclusion is yielded also by evaluating bi-axial elastic moduli when employing interpolated experimental elastic constants. This work demonstrates a useful route for studying features of physical metallurgy at the mesoscale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Enhancement of two photon absorption with Ni doping in the dilute magnetic semiconductor ZnO crystalline nanorods

In this letter, we have investigated the third-order optical nonlinearities of high-quality Ni doped ZnO nanorods crystallized in wurtzite lattice, prepared by the wet chemical method. In our experiments, we found that the two photon absorption coefficient (β) increases by as much as 14 times, i.e., 7.6 ± 0.4 to 112 ± 6 cm/GW, when the Ni doping is increased from 0% to 10%. The substantial enhancement in β is discussed in terms of the bandgap scaling and Ni doping. Furthermore, we also show that the optical bandgap measured by UV-Vis and photoluminescence spectroscopies, continuously redshift with increasing Ni doping concentration. We envision that the strong nonlinear optical properties together with their dilute magnetic effects, they form an important class of materials for potential applications in magneto-optical and integrated optical chips.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermodynamic properties and solidification kinetics of intermetallic Ni{sub 7}Zr{sub 2} alloy investigated by electrostatic levitation technique and theoretical calculations

The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni{sub 7}Zr{sub 2} alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni{sub 7}Zr{sub 2} has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni{sub 7}Zr{sub 2} alloy fitted by Vogel–Fulcher–Tammann law yields a fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni{sub 7}Zr{sub 2} compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s{sup −1} at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s{sup −1}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of curvature on the structural and magnetic properties of Ni film deposited on self-assembled nanospheres

Important experimental findings and their impact on physical properties of Ni thin film are presented with the focus on structural and magnetic property investigations. For this purpose, Ni film (40 nm) was deposited on polystyrene nanospheres (PS, diameter 800 nm) using electron beam evaporation technique simultaneously with a similar reference film on plane Si substrate. The structural properties of the films measured using XRD technique show nanocrystalline growth of Ni on both size PS spheres with an average grain size of ∼ 78 nm, while high crystallinity was observed in the film deposited onto plane Si substrate. A lower coercivity (9 mT) was observed in the Ni/(800 nm) PS as compared to the film deposited on 530 nm PS (23 mT) (our earlier study) and Ni/Si (20 mT). The observed changes in structural and magnetic properties are attributed to the curvature induced modifications at atomic level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Room temperature ferromagnetism and luminescent behavior of Ni doped ZnO nanoparticles prepared by coprecipitation method

The samples of Zn{sub 1-x}Ni{sub x}O (x= 0.00 and 0.05) were prepared using coprecipitation method and annealed at different temperatures. The effect of Ni ion substitution on the structural and optical properties has been studied using X-ray Diffraction, UV-Visible, Photoluminescence and Magnetic measurements. XRD measurements demonstrate that all the prepared samples are wurtzite polycrystalline single phase in nature, ruling out the presence of any secondary phase formation. Ultraviolet visible measurements showed a decrease in band gap with the increase in annealing temperature and doping concentration. The PL data shows the red shift in all the samples and luminescence quenching with Ni doping. Compared to undoped ZnO, Ni doped ZnO showed room temperature ferromagnetism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗