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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 739 records · Page 41

Giant secondary grain growth in Cu films on sapphire

Single crystal metal films on insulating substrates are attractive for microelectronics and other applications, but they are difficult to achieve on macroscopic length scales. The conventional approach to obtaining such films is epitaxial growth at high temperature using slow deposition in ultrahigh vacuum conditions. Here we describe a different approach that is both simpler to implement and produces superior results: sputter deposition at modest temperatures followed by annealing to induce secondary grain growth. We show that polycrystalline as-deposited Cu on α-Al{sub 2}O{sub 3}(0001) can be transformed into Cu(111) with centimeter-sized grains. Employing optical microscopy, x-ray diffraction, and electron backscatter diffraction to characterize the films before and after annealing, we find a particular as-deposited grain structure that promotes the growth of giant grains upon annealing. To demonstrate one potential application of such films, we grow graphene by chemical vapor deposition on wafers of annealed Cu and obtain epitaxial graphene grains of 0.2 mm diameter.

36 MATERIALS SCIENCE↗

Pyroelectric field assisted ion migration induced by ultraviolet laser irradiation and its impact on ferroelectric domain inversion in lithium niobate crystals

The impact of UV laser irradiation on the distribution of lithium ions in ferroelectric lithium niobate single crystals has been numerically modelled. Strongly absorbed UV radiation at wavelengths of 244–305 nm produces steep temperature gradients which cause lithium ions to migrate and result in a local variation of the lithium concentration. In addition to the diffusion, here the pyroelectric effect is also taken into account which predicts a complex distribution of lithium concentration along the c-axis of the crystal: two separated lithium deficient regions on the surface and in depth. The modelling on the local lithium concentration and the subsequent variation of the coercive field are used to explain experimental results on the domain inversion of such UV treated lithium niobate crystals.

36 MATERIALS SCIENCE↗

The interaction of 193-nm excimer laser radiation with single-crystal zinc oxide: The generation of atomic Zn line emission at laser fluences below breakdown

The production of gas phase atomic and ionic line spectra accompanying the high laser fluence irradiation of solid surfaces is well known and is most often due to the production and interaction of high densities of atoms, ions, and electrons generated from laser-induced breakdown. The resulting plasma expands and moves rapidly away from the irradiated spot and is accompanied by intense emission of light. This type of “plume” is well studied and is frequently exploited in the technique of chemical analysis known as laser induced breakdown spectroscopy. Here, we describe a similar but weaker emission of light generated in vacuum by the laser irradiation of single crystal ZnO at fluences well below breakdown; this emission consists entirely of optical line emission from excited atomic Zn. We compare the properties of the resulting laser-generated gas-phase light emission (above and below breakdown) and describe a mechanism for the production of the low-fluence optical emission resulting from a fortuitous choice of material and laser wavelength.

36 MATERIALS SCIENCE↗

Radiation-assisted Frenkel-Poole transport in single-crystal diamond

The measurement of the density of occupied states as a function of the applied electric field, performed on single-crystal chemical vapour deposition diamond by x-ray modulated photocurrent technique, is reported. Two regimes of non-linear charge transport were observed: a classical Frenkel-Poole (FP) process at high electric fields (>6800 V/cm), and a radiation-assisted transport mechanism at intermediate electric fields (2000 to 6800 V/cm), consisting of a double-step process in which the direct re-emission into the extended band occurs following multiple photo-induced FP-like hopping transitions.

36 MATERIALS SCIENCE↗

Electrical properties of scandium nitride epitaxial films grown on (100) magnesium oxide substrates by molecular beam epitaxy

Scandium nitride (ScN) films were grown on (100) MgO single crystals by a molecular beam epitaxy method. The effects of growth conditions, including [Sc]/[N] ratio, growth temperature, and nitrogen radical state, on the electrical properties of the ScN films were studied. The ScN films comprised many small columnar grains. Hall coefficient measurements confirmed that the ScN films were highly degenerate n-type semiconductors and that the carrier concentration of the ScN films was sensitive to the growth temperature and the nitrogen radical states during the film growth. The carrier concentrations of the ScN films ranged from 10{sup 19}–10{sup 21} cm{sup −3} while the Hall mobilities ranged from 50–130 cm{sup 2}·V{sup −1}·s{sup −1} for undoped films. The temperature-dependent Hall coefficient measurements showed that the carrier concentration is nearly independent of temperature, indicating that the change in resistivity with temperature is explained by a change in the Hall mobility. The temperature-dependence of the Hall mobility was strongly affected by the growth conditions.

36 MATERIALS SCIENCE↗

Super-thin single crystal diamond membrane radiation detectors

We propose to use the non-electronic grade (nitrogen content 5 ppb < [N] < 5 ppm) single crystal (sc) chemical vapour deposited (CVD) diamond as a thin-membrane radiation detector. Using deep Ar/O{sub 2} plasma etching it is possible to produce self-supported few micrometres thick scCVD membranes of a size approaching 7 mm × 7 mm, with a very good surface quality. After metallization and contacting, electrical properties of diamond membrane detectors were probed with 5.486 MeV α-particles as an ionization source. Despite nitrogen impurity, scCVD membrane detectors exhibit stable operation, charge collection efficiency close to 100%, with homogenous response, and extraordinary dielectric strength up to 30 V/μm.

36 MATERIALS SCIENCE↗

Surface electronic structure for various surface preparations of Nb-doped SrTiO{sub 3} (001)

High-resolution angle-resolved photoemission spectroscopy (ARPES) was used to study the surface electronic structure of Nb-doped SrTiO{sub 3} (STO) single crystals prepared using a variety of surface preparations. ARPES measurements show that simple degreasing with subsequent anneal in vacuum is not an adequate surface preparation of STO, rather, preparations consisting of etching with buffered HF or HCl, and to a lesser extent, simple water leaching resulted in surfaces with much less disorder. A non-dispersing, mid-gap state was found ∼800 meV above the top of the valence band for samples which underwent etching. This mid-gap state is not present for vacuum-annealed and water-leached samples, as well as for STO thin films grown using molecular beam epitaxy. Theoretical modeling using density functional theory suggests that this mid-gap state is not related to the SrO- and TiO{sub 2}-terminated surfaces, but rather, is due to a partial hydrogenation of the STO surface that occurs during etching.

36 MATERIALS SCIENCE↗

Supersaturating silicon with transition metals by ion implantation and pulsed laser melting

We investigate the possibility of creating an intermediate band semiconductor by supersaturating Si with a range of transition metals (Au, Co, Cr, Cu, Fe, Pd, Pt, W, and Zn) using ion implantation followed by pulsed laser melting (PLM). Structural characterization shows evidence of either surface segregation or cellular breakdown in all transition metals investigated, preventing the formation of high supersaturations. However, concentration-depth profiling reveals that regions of Si supersaturated with Au and Zn are formed below the regions of cellular breakdown. Fits to the concentration-depth profile are used to estimate the diffusive speeds, v{sub D,} of Au and Zn, and put lower bounds on v{sub D} of the other metals ranging from 10{sup 2} to 10{sup 4} m/s. Knowledge of v{sub D} is used to tailor the irradiation conditions and synthesize single-crystal Si supersaturated with 10{sup 19} Au/cm{sup 3} without cellular breakdown. Values of v{sub D} are compared to those for other elements in Si. Two independent thermophysical properties, the solute diffusivity at the melting temperature, D{sub s}(T{sub m}), and the equilibrium partition coefficient, k{sub e}, are shown to simultaneously affect v{sub D}. We demonstrate a correlation between v{sub D} and the ratio D{sub s}(T{sub m})/k{sub e}{sup 0.67}, which is exhibited for Group III, IV, and V solutes but not for the transition metals investigated. Nevertheless, comparison with experimental results suggests that D{sub s}(T{sub m})/k{sub e}{sup 0.67} might serve as a metric for evaluating the potential to supersaturate Si with transition metals by PLM.

36 MATERIALS SCIENCE↗

Orientation-dependent piezoelectric properties in lead-free epitaxial 0.5BaZr{sub 0.2}Ti{sub 0.8}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} thin films

Orientation-engineered 0.5BaZr{sub 0.2}Ti{sub 0.8}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} (BZT-BCT) thin films were deposited on La{sub 0.7}Sr{sub 0.3}MnO{sub 3}-coated SrTiO{sub 3} single-crystalline (001), (110), and (111) substrates by off-axis radio-frequency magnetron sputtering. X-ray diffraction confirmed a highly epitaxial growth of all the as-deposited films. It is believed the strong orientation dependence of ferroelectric and piezoelectric properties on the films is attributed to the relative alignment of crystallites and spontaneous polarization vector. The optimal ferroelectric response lies in the [001] direction, whereas a comparatively large effective piezoelectric coefficient d{sub 33,eff} of 100.1 ± 5 pm/V was attained in [111] BZT-BCT thin film, suggesting its potential application for high-performance lead-free piezoelectric devices.

36 MATERIALS SCIENCE↗

Direct writing of ferroelectric domains on strontium barium niobate crystals using focused ultraviolet laser light

We report ferroelectric domain inversion in strontium barium niobate (SBN) single crystals by irradiating the surface locally with a strongly focused ultraviolet (UV) laser beam. The generated domains are investigated using piezoresponse force microscopy. We propose a simple model that allows predicting the domain width as a function of the irradiation intensity, which indeed applies for both SBN and LiNbO{sub 3}. Evidently, though fundamentally different, the domain structure of both SBN and LiNbO{sub 3} can be engineered through similar UV irradiation.

36 MATERIALS SCIENCE↗

Nanostructured light-absorbing crystalline CuIn{sub (1–x)}Ga{sub x}Se{sub 2} thin films grown through high flux, low energy ion irradiation

A hybrid effusion/sputtering vacuum system was modified with an inductively coupled plasma (ICP) coil enabling ion assisted physical vapor deposition of CuIn{sub 1−x}Ga{sub x}Se{sub 2} thin films on GaAs single crystals and stainless steel foils. With <80 W rf power to the ICP coil at 620–740 °C, film morphologies were unchanged compared to those grown without the ICP. At low temperature (600–670 °C) and high rf power (80–400 W), a light absorbing nanostructured highly anisotropic platelet morphology was produced with surface planes dominated by (112){sub T} facets. At 80–400 W rf power and 640–740 °C, both interconnected void and small platelet morphologies were observed while at >270 W and above >715 °C nanostructured pillars with large inter-pillar voids were produced. The latter appeared black and exhibited a strong (112){sub T} texture with interpillar twist angles of ±8°. Application of a negative dc bias of 0–50 V to the film during growth was not found to alter the film morphology or stoichiometry. The results are interpreted as resulting from the plasma causing strong etching favoring formation of (112){sub T} planes and preferential nucleation of new grains, balanced against conventional thermal diffusion and normal growth mechanisms at higher temperatures. The absence of effects due to applied substrate bias suggests that physical sputtering or ion bombardment effects were minimal. The nanostructured platelet and pillar films were found to exhibit less than one percent reflectivity at angles up to 75° from the surface normal.

36 MATERIALS SCIENCE↗

Diamond sensors and polycapillary lenses for X-ray absorption spectroscopy

Diamond sensors are evaluated as incident beam monitors for X-ray absorption spectroscopy experiments. These single crystal devices pose a challenge for an energy-scanning experiment using hard X-rays due to the effect of diffraction from the crystalline sensor at energies which meet the Bragg condition. This problem is eliminated by combination with polycapillary lenses. The convergence angle of the beam exiting the lens is large compared to rocking curve widths of the diamond. A ray exiting one capillary from the lens meets the Bragg condition for any reflection at a different energy from the rays exiting adjacent capillaries. This serves to broaden each diffraction peak over a wide energy range, allowing linear measurement of incident intensity over the range of the energy scan. Extended X-ray absorption fine structure data are measured with a combination of a polycapillary lens and a diamond incident beam monitor. These data are of comparable quality to data measured without a lens and with an ionization chamber monitoring the incident beam intensity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Molecular dynamics simulation of self-rotation effects on ultra-precision polishing of single-crystal copper

Understanding the behaviors of the material removal mechanism of ultra-precision polishing process has been a critical issue of generating well-formed surface. In order to make clear the abrasive self-rotation effects on material removal at the atomic level, a three-dimensional molecular dynamics (MD) model is conducted to study the mechanics of ultra-precision polishing on single-crystal copper with a diamond abrasive and the effects of abrasive self-rotation velocity and direction. Morse potential energy function and EAM potential energy function are applied to model the copper/diamond and copper/copper interactions, respectively. The simulation results show that the deformation mechanism of single-crystal copper is due to the formation and movement of dislocations in the specimen. In addition, with the increasing of abrasive self-rotation velocity, the deformation mechanism falls from cutting to plowing regimes. The abrasive self-rotation velocity and direction have effects on the morphology and quality of the specimen surface, distribution and evolution of defects under the surface of the specimen. Also, the interatomic force between abrasive and specimen is studied to account for the effects of different polishing conditions.

36 MATERIALS SCIENCE↗

Influence of crystal mosaicity on axial channeling effects and lattice site determination of impurities

Using the electron emission channeling and Rutherford backscattering/channeling techniques, the influence of the mosaicity of a thin film on the axial channeling of charged particles was investigated. It is found that crystal mosaicity leads to a broadening and a degradation of the experimental channeling effects. This phenomenon, which is shown to be of major importance when assessing the lattice site of impurities in a single crystal, can be modeled quantitatively by using the mosaic tilt and twist components derived from X-ray rocking curve scans. As a case study, we illustrate that our approach allows to accurately determine the lattice site of Er in AlN, despite the significant influence of mosaicity on the channeling measurements.

36 MATERIALS SCIENCE↗

Thermal conductivity of Er{sup +3}:Y{sub 2}O{sub 3} films grown by atomic layer deposition

Cross-plane thermal conductivity of 800, 458, and 110 nm erbium-doped crystalline yttria (Er{sup +3}:Y{sub 2}O{sub 3}) films deposited via atomic layer deposition was measured using the 3ω method at room temperature. Thermal conductivity results show 16-fold increase in thermal conductivity from 0.49 W m{sup −1}K{sup −1} to 8 W m{sup −1}K{sup −1} upon post deposition annealing, partially due to the suppression of the number of the -OH/H{sub 2}O bonds in the films after annealing. Thermal conductivity of the annealed film was ∼70% lower than undoped bulk single crystal yttria. The cumulative interface thermal resistivity of substrate-Er{sup +3}:Y{sub 2}O{sub 3}-metal heater was determined to be ∼2.5 × 10{sup −8} m{sup 2} K/W.

36 MATERIALS SCIENCE↗

Photo-Seebeck effect in tetragonal PbO single crystals

We report the observation of photo-Seebeck effect in tetragonal PbO crystals. The photo-induced carriers contribute to the transport phenomena, and consequently the electrical conductivity increases and the Seebeck coefficient decreases with increasing photon flux density. A parallel-circuit model is used to evaluate the actual contributions of photo-excited carriers from the measured transport data. The photo-induced carrier concentration estimated from the Seebeck coefficient increases almost linearly with increasing photon flux density, indicating a successful photo-doping effect on the thermoelectric property. The mobility decreases by illumination but the reduction rate strongly depends on the illuminated photon energy. Possible mechanisms of such photon-energy-dependent mobility are discussed.

36 MATERIALS SCIENCE↗

Magnetic field induced discontinuous spin reorientation in ErFeO{sub 3} single crystal

The spin reorientation of ErFeO{sub 3} that spontaneously occurs at low temperature has been previously determined to be a process involving the continuous rotation of Fe{sup 3+} spins. In this work, the dynamic process of spin reorientation in ErFeO{sub 3} single crystal has been investigated by AC susceptibility measurements at various frequencies and static magnetic fields. Interestingly, two completely discontinuous steps are induced by a relatively large static magnetic field due to the variation in the magnetic anisotropy during this process. It provides deeper insights into the intriguing magnetic exchange interactions which dominate the sophisticated magnetic phase transitions in the orthoferrite systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Polymer/metal hybrid multilayers modified Schottky devices

Insulating, polymethylmethacrylate (PMMA), and semiconducting, poly(3-hexylthiophene) (P3HT), nanometer thick polymers/Au nanoparticles based hybrid multilayers (HyMLs) were fabricated on p-Si single-crystal substrate. An iterative method, which involves, respectively, spin-coating (PMMA and P3HT deposition) and sputtering (Au nanoparticles deposition) techniques to prepare Au/HyMLs/p-Si Schottky device, was used. The barrier height and the ideality factor of the Au/HyMLs/p-Si Schottky devices were investigated by current-voltage measurements in the thickness range of 1–5 bilayers. It was observed that the barrier height of such hybrid layered systems can be tuned as a function of bilayers number and its evolution was quantified and analyzed.

36 MATERIALS SCIENCE↗