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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

A comprehensive study of thermoelectric and transport properties of β-silicon carbide nanowires

The temperature dependence of the Seebeck coefficient, the electrical and thermal conductivities of individual β-silicon carbide nanowires produced by combustion in a calorimetric bomb were studied using a suspended micro-resistance thermometry device that allows four-point probe measurements to be conducted on each nanowire. Additionally, crystal structure and growth direction for each measured nanowire was directly obtained by transmission electron microscopy analysis. The Fermi level, the carrier concentration, and mobility of each nanostructure were determined using a combination of Seebeck coefficient and electrical conductivity measurements, energy band structure and transport theory calculations. The temperature dependence of the thermal and electrical conductivities of the nanowires was explained in terms of contributions from boundary, impurity, and defect scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Metal-like self-organization of periodic nanostructures on silicon and silicon carbide under femtosecond laser pulses

Periodic structures were generated on Si and SiC surfaces by irradiation with femtosecond laser pulses. Self-organized structures with spatial periodicity of approximately 600 nm appear on silicon and silicon carbide in the laser fluence range just above the ablation threshold and upon irradiation with a large number of pulses. As in the case of metals, the dependence of the spatial periodicity on laser fluence can be explained by the parametric decay of laser light into surface plasma waves. The results show that the proposed model might be universally applicable to any solid state material.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Asymmetric twins in rhombohedral boron carbide

Superhard materials consisting of light elements have recently received considerable attention because of their ultrahigh specific strength for a wide range of applications as structural and functional materials. However, the failure mechanisms of these materials subjected to high stresses and dynamic loading remain to be poorly known. We report asymmetric twins in a complex compound, boron carbide (B{sub 4}C), characterized by spherical-aberration-corrected transmission electron microscopy. The atomic structure of boron-rich icosahedra at rhombohedral vertices and cross-linked carbon-rich atomic chains can be clearly visualized, which reveals unusual asymmetric twins with detectable strains along the twin interfaces. This study offers atomic insights into the structure of twins in a complex material and has important implications in understanding the planar defect-related failure of superhard materials under high stresses and shock loading.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A methodology to identify and quantify mobility-reducing defects in 4H-silicon carbide power metal-oxide-semiconductor field-effect transistors

In this paper, we present a methodology for the identification and quantification of defects responsible for low channel mobility in 4H-Silicon Carbide (SiC) power metal-oxide-semiconductor field-effect transistors (MOSFETs). To achieve this, we use an algorithm based on 2D-device simulations of a power MOSFET, density functional simulations, and measurement data. Using physical modeling of carrier mobility and interface traps, we reproduce the experimental I-V characteristics of a 4H-SiC doubly implanted MOSFET through drift-diffusion simulation. We extract the position of Fermi level and the occupied trap density as a function of applied bias and temperature. Using these inputs, our algorithm estimates the number of possible trap types, their energy levels, and concentrations at 4H-SiC/SiO{sub 2} interface. Subsequently, we use density functional theory (DFT)-based ab initio simulations to identify the atomic make-up of defects causing these trap levels. We study silicon vacancy and carbon di-interstitial defects in the SiC side of the interface. Our algorithm indicates that the D{sub it} spectrum near the conduction band edge (3.25 eV) is composed of three trap types located at 2.8–2.85 eV, 3.05 eV, and 3.1–3.2 eV, and also calculates their densities. Based on DFT simulations, this work attributes the trap levels very close to the conduction band edge to the C di-interstitial defect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of different illumination profiles on the on-state resistances of silicon carbide photoconductive semiconductor switches

Characteristics of a silicon-carbide (SiC) photoconductive switch under different illumination profiles are presented. We triggered a V-doped semi-insulated 6H-SiC switch with lateral geometry using a laser beam of 532-nm wavelength. Photoconductivity tests for different spot profiles and locations show that such switches achieve a minimum on-state resistance when the switching gap is illuminated. The differences between on-state resistances are small for various partial illuminations of the switching gap. Semiconductor modeling is used to simulate the electric field and current profiles for different partial illuminations. The simulation results show poor on-state switch performance when partially illuminated. Based on these results, a more revealing circuit model for the switch matches well with experimental results for partial illuminations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Excitation and recombination dynamics of vacancy-related spin centers in silicon carbide

We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We establish the excitation profile for optical pumping of these defects and evaluate the optimum excitation wavelength of 770 nm. We also measure the photoluminescence dynamics at room temperature and find a monoexponential decay with a characteristic lifetime of 6.1 ns. The integrated photoluminescence intensity depends linear on the excitation power density up to 20 kW/cm{sup 2}, indicating a relatively small absorption cross section of these defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Photoluminescence properties and crystallization of silicon quantum dots in hydrogenated amorphous Si-rich silicon carbide films

Silicon quantum dots (QDs) embedded in hydrogenated amorphous Si-rich silicon carbide (α-SiC:H) thin films were realized by plasma-enhanced chemical vapor deposition process and post-annealing. Fluorescence spectroscopy was used to characterize the room-temperature photoluminescence properties. X-ray photoelectron spectroscopy was used to analyze the element compositions and bonding configurations. Ultraviolet visible spectroscopy, Raman scattering, and high-resolution transmission electron microscopy were used to display the microstructural properties. Photoluminescence measurements reveal that there are six emission sub-bands, which behave in different ways. The peak wavelengths of sub-bands P1, P2, P3, and P6 are pinned at about 425.0, 437.3, 465.0, and 591.0 nm, respectively. Other two sub-bands, P4 is red-shifted from 494.6 to 512.4 nm and P5 from 570.2 to 587.8 nm with temperature increasing from 600 to 900 °C. But then are both blue-shifted, P4 to 500.2 nm and P5 to 573.8 nm from 900 to 1200 °C. The X-ray photoelectron spectroscopy analysis shows that the samples are in Si-rich nature, Si-O and Si-N bonds consumed some silicon atoms. The structure characterization displays that a separation between silicon phase and SiC phase happened; amorphous and crystalline silicon QDs synthesized with increasing the annealing temperature. P1, P2, P3, and P6 sub-bands are explained in terms of defect-related emission, while P4 and P5 sub-bands are explained in terms of quantum confinement effect. A correlation between the peak wavelength shift, as well as the integral intensity of the spectrum and crystallization of silicon QDs is supposed. These results help clarify the probable luminescence mechanisms and provide the possibility to optimize the optical properties of silicon QDs in Si-rich α-SiC: H materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High Q silicon carbide microdisk resonator

We demonstrate a silicon carbide (SiC) microdisk resonator with optical Q up to 5.12 × 10{sup 4}. The high optical quality, together with the diversity of whispering-gallery modes and the tunability of external coupling, renders SiC microdisk a promising platform for integrated quantum photonics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Diffusion and impurity segregation in hydrogen-implanted silicon carbide

Diffusion and segregation behavior of hydrogen and oxygen in silicon carbide subjected to H implantation and subsequent annealing were studied with a number of analytical techniques including Secondary Ion Mass Spectrometry (SIMS), Rutherford backscattering spectrometry in channeling geometry, field emission scanning electron microscopy, optical microscopy, cross-sectional transmission electron microscopy, and atomic force microscopy. H{sup +} implantation was carried out with energies of 200 keV, 500 keV, or 1 MeV to doses of 1 × 10{sup 16}, 1 × 10{sup 17}, or 2 × 10{sup 17} ion/cm{sup 2}, and thermal treatment was conducted in flowing argon for 1 to 2 h at temperatures of 740, 780, 1000, or 1100 °C. The process of migration and eventual loss of hydrogen in a point defect regime is postulated to proceed to a large extent through ionized vacancies. This conclusion was derived from the observed substantial difference in H mobilities in n- vs. p-type SiC as the population of ionized vacancies is governed by the Fermi-Dirac statistics, i.e., the position of the Fermi level. For higher doses, a well defined buried planar zone forms in SiC at the maximum of deposited energy, comprising numerous microvoids and platelets that are trapping sites for hydrogen atoms. At a certain temperature, a more or less complete exfoliation of the implanted layer is observed. For a 1 MeV implant heated to 1100 °C in nominally pure argon, SIMS profiling reveals a considerable oxygen peak of 10{sup 16} O atoms/cm{sup 2} situated at a depth close to that of the peak of the implanted H{sup +}. Similarly, 1100 °C annealing of a 200 keV implant induces the formation of a thin oxide (4 nm), located at the interface between the implanted layer and the substrate as evidenced by both SIMS and HRTEM. The measurements were taken on the part of the sample that remained un-exfoliated. In view of a lack of convincing evidence that a hexagonal SiC might contain substantial amounts of oxygen, further investigation is under way to elucidate its presence in the irradiation-damaged films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Uniform nano-ripples on the sidewall of silicon carbide micro-hole fabricated by femtosecond laser irradiation and acid etching

Uniform nano-ripples were observed on the sidewall of micro-holes in silicon carbide fabricated by 800-nm femtosecond laser and chemical selective etching. The morphology of the ripple was analyzed using scanning electronic microscopy. The formation mechanism of the micro-holes was attributed to the chemical reaction of the laser affected zone with mixed solution of hydrofluoric acid and nitric acid. The formation of nano-ripples on the sidewall of the holes could be attributed to the standing wave generated in z direction due to the interference between the incident wave and the reflected wave.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Rotationally resolved state-to-state photoelectron study of niobium carbide radical

By employing the two-color visible (VIS)-ultraviolet (UV) laser photoexcitation scheme and the pulsed field ionization-photoelectron (PFI-PE) detection, we have obtained rovibronically selected and resolved photoelectron spectra for niobium carbide cation (NbC{sup +}). The fully rotationally resolved state-to-state VIS-UV-PFI-PE spectra thus obtained allow the unambiguous assignments of rotational photoionization transitions, indicating that the electronic configuration and term symmetry of NbC{sup +}(X{sup ~}) ground state are …10σ{sup 2} 5π{sup 4} 11σ{sup 2} (X{sup ~1}Σ{sup +}). Furthermore, the rotational analysis of these spectra yields the ionization energy of NbC [IE(NbC)] to be 56 369.2 ± 0.8 cm{sup −1} (6.9889 ± 0.0001 eV) and the rotation constant B{sub 0}{sup +} = 0.5681 ± 0.0007 cm{sup −1}. The latter value allows the determination of the bond distance r{sub 0}{sup +} = 1.671 ± 0.001 Å for NbC{sup +}(X{sup ~1}Σ{sup +}). Based on conservation of energy, the IE(NbC) determined in the present study along with the known IE(Nb) gives the difference of 0 K bond dissociation energies (D{sub 0}’s) for NbC{sup +} and NbC, D{sub 0}(NbC{sup +}) − D{sub 0}(NbC) = −1855.4 ± 0.9 cm{sup −1} (−0.2300 ± 0.0001 eV). The energetic values and the B{sub 0}{sup +} constant determined in this work are valuable for benchmarking state-of-the-art ab initio quantum calculations of 4d transition metal-containing molecules.

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

Behavior of microwave-heated silicon carbide particles at frequencies of 2.0–13.5 GHz

Silicon carbide is a key material in microwave (MW) processing and is used widely as a thermal insulator and catalytic agent. In this study, we experimentally investigated the temperature dependence of the MW-absorption properties of SiC particles at frequencies of 2.0–13.5 GHz. We heated SiC particles of different sizes using MW radiation. The heating behaviors of the particles were then compared with their MW-absorption properties. The heating behavior of the particles was dependent on their radii; this result was in keeping with theoretical predictions. Furthermore, the β-SiC particles exhibited anomalous behaviors when subjected to microwave heating at temperatures of 1100 °C and higher. These behaviors were attributable to the transformation of β-SiC into the α-phase. The underlying mechanism for this transformation is discussed on the basis of the results of X-ray diffraction analysis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of a modular two-step ozone-water and annealing process on silicon carbide graphene

By combining ozone and water, the effect of exposing epitaxial graphene on silicon carbide to an aggressive wet-chemical process has been evaluated after high temperature annealing in ultra high vacuum. The decomposition of ozone in water produces a number of oxidizing species, however, despite long exposure times to the aqueous-ozone environment, no graphene oxide was observed after the two-step process. The systems were comprehensively characterized before and after processing using Raman spectroscopy, core level photoemission spectroscopy, and angle resolved photoemission spectroscopy together with low energy electron diffraction, low energy electron microscopy, and atomic force microscopy. In spite of the chemical potential of the aqueous-ozone reaction environment, the graphene domains were largely unaffected raising the prospect of employing such simple chemical and annealing protocols to clean or prepare epitaxial graphene surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Growth of silicon quantum dots by oxidation of the silicon nanocrystals embedded within silicon carbide matrix

A moderately low temperature (≤800 °C) thermal processing technique has been described for the growth of the silicon quantum dots (Si-QD) within microcrystalline silicon carbide (μc-SiC:H) dielectric thin films deposited by plasma enhanced chemical vapour deposition (PECVD) process. The nanocrystalline silicon grains (nc-Si) present in the as deposited films were initially enhanced by aluminium induced crystallization (AIC) method in vacuum at a temperature of T{sub v} = 525 °C. The samples were then stepwise annealed at different temperatures T{sub a} in air ambient. Analysis of the films by FTIR and XPS reveal a rearrangement of the μc-SiC:H network has taken place with a significant surface oxidation of the nc-Si domains upon annealing in air. The nc-Si grain size (D{sub XRD}) as calculated from the XRD peak widths using Scherrer formula was found to decrease from 7 nm to 4 nm with increase in T{sub a} from 250 °C to 800 °C. A core shell like structure with the nc-Si as the core and the surface oxide layer as the shell can clearly describe the situation. The results indicate that with the increase of the annealing temperature in air the oxide shell layer becomes thicker and the nc-Si cores become smaller until their size reduced to the order of the Si-QDs. Quantum confinement effect due to the SiO covered nc-Si grains of size about 4 nm resulted in a photoluminescence peak due to the Si QDs with peak energy at 1.8 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Room-temperature near-infrared silicon carbide nanocrystalline emitters based on optically aligned spin defects

Bulk silicon carbide (SiC) is a very promising material system for bio-applications and quantum sensing. However, its optical activity lies beyond the near infrared spectral window for in-vivo imaging and fiber communications due to a large forbidden energy gap. Here, we report the fabrication of SiC nanocrystals and isolation of different nanocrystal fractions ranged from 600 nm down to 60 nm in size. The structural analysis reveals further fragmentation of the smallest nanocrystals into ca. 10-nm-size clusters of high crystalline quality, separated by amorphization areas. We use neutron irradiation to create silicon vacancies, demonstrating near infrared photoluminescence. Finally, we detect room-temperature spin resonances of these silicon vacancies hosted in SiC nanocrystals. This opens intriguing perspectives to use them not only as in-vivo luminescent markers but also as magnetic field and temperature sensors, allowing for monitoring various physical, chemical, and biological processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Charging/discharging behavior and mechanism of silicon quantum dots embedded in amorphous silicon carbide films

The charging/discharging behavior of Si quantum dots (QDs) embedded in amorphous silicon carbide (a-SiC{sub x}) was investigated based on the Al/insulating layer/Si QDs embedded in a-SiC{sub x}/SiO{sub 2}/p-Si (metal-insulator-quantum dots-oxide-silicon) multilayer structure by capacitance-voltage (C-V) and conductance-voltage (G-V) measurements. Transmission electron microscopy and Raman scattering spectroscopy measurements reveal the microstructure and distribution of Si QDs. The occurrence and shift of conductance peaks indicate the carrier transfer and the charging/discharging behavior of Si QDs. The multilayer structure shows a large memory window of 5.2 eV at ±8 V sweeping voltage. Analysis of the C-V and G-V results allows a quantification of the Coulomb charging energy and the trapped charge density associated with the charging/discharging behavior. It is found that the memory window is related to the size effect, and Si QDs with large size or low Coulomb charging energy can trap two or more electrons by changing the charging voltage. Meanwhile, the estimated lower potential barrier height between Si QD and a-SiC{sub x}, and the lower Coulomb charging energy of Si QDs could enhance the charging and discharging effect of Si QDs and lead to an enlarged memory window. Further studies of the charging/discharging mechanism of Si QDs embedded in a-SiC{sub x} can promote the application of Si QDs in low-power consumption semiconductor memory devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Near-field radiative heat transfer between metamaterials coated with silicon carbide thin films

In this letter, we study the near-field radiative heat transfer between two metamaterial substrates coated with silicon carbide (SiC) thin films. It is known that metamaterials can enhance the near-field heat transfer over ordinary materials due to excitation of magnetic plasmons associated with s polarization, while strong surface phonon polariton exists for SiC. By careful tuning of the optical properties of metamaterial, it is possible to excite electrical and magnetic resonances for the metamaterial and surface phonon polaritons for SiC at different spectral regions, resulting in the enhanced heat transfer. The effect of the SiC film thickness at different vacuum gaps is investigated. Results obtained from this study will be beneficial for application of thin film coatings for energy harvesting.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Structural and mechanical properties of thorium carbide

We have investigated the cohesive energies, equilibrium lattice constants, pressure-volume relationship, phase transition pressure and elastic constant for thorium carbide using an interionic potential theory with modified ionic charge, which includes Coulomb screening effect due to d-electrons. This compound undergoes structural phase transition from NaCl (B{sub 1}) to CsCl (B{sub 2}) structure at high pressure 40 GPa. We have also calculated bulk, Young, and shear moduli, Poisson ratio and anisotropic ratio in NaCl (B{sub 1}) structure and compared them with other experimental and theoretical results which show a good agreement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗