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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Physically realistic, parametric model for excitonic critical point parabolic band oscillators

Critical point parabolic band (CPPB) oscillators are often useful to model the optical response of semiconductor materials, such as hybrid organic–inorganic lead halide-based perovskites, to incident photons in the form of the complex dielectric function (ε=ε1+iε2) spectra. Some models of ε using CPPB oscillators are not guaranteed Kramers–Kronig (KK) consistent (and therefore not physically realistic), may have excess or arbitrary parameter values, or may require prohibitively long computational time when used to fit ellipsometric spectra. For excitonic CPPBs, commonly used to describe the optical response of hybrid organic–inorganic lead halide-based perovskite materials, a physically realistic, parametric model of ε is developed from the KK relationship between ε1 and ε2 for a number of CPPB oscillators with an Urbach tail below the lowest direct transition. This parametric model is shown to produce the same line shape reported from previous works accurately and more quickly than other available KK-consistent CPPB models.

Physics↗
DOE OSTI2025

Formation and optical properties of indium nanoparticle arrays for deep-UV plasmonics

We utilize a combined computational-experimental approach to examine the influence of indium nanoparticle (NP) array distributions on deep-ultraviolet (UV) plasmon resonances. For photon energies < 5.7 eV, analysis of ellipsometric spectra reveals an increase in silicon reflectance induced by indium NP arrays on silicon. For various energies in the range 5.7–7.0 eV, a decrease in reflectance is induced by the NP arrays. Similar trends in reflectance are predicted from finite-difference time-domain (FDTD) simulations using NP size distributions extracted from atomic-force micrographs as input. In addition, in the energy range of 7.4–9.2 eV, the FDTD simulations reveal reflectance minima, characteristic of localized surface plasmon resonances. Here, electron energy-loss spectroscopy collected from individual indium NPs reveals the presence of LSPR at ≈ 8 eV, further supporting the promise of indium NP arrays on silicon for deep-UV plasmonics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Suppression of Midinfrared Plasma Resonance Due to Quantum Confinement in δ-Doped Silicon

The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:δ layers—atomically thin sheets of phosphorus dopants in silicon that induce electronic properties beyond traditional doping. Previously it was shown that P:δ layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the δ layer as a discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge-density confinement and resulting quantum mechanical description of a P:δ layer. Here, we show that the absence of a plasma resonance feature results from a combination of two factors: (i) the sharply varying charge-density profile due to strong confinement in the direction of growth; and (ii) the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the δ layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its distinctive electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Infrared absorption cross section of SiN x thin films

At the molecular level, resonant coupling of infrared radiation with oscillations of the electric dipole moment determines the absorption cross section, $σ$. The parameter σ relates the bond density to the total integrated absorption. In this work, $σ$ was measured for the Si–N asymmetric stretch mode in SiN x thin films of varying composition and thickness. Thin films were deposited by low pressure chemical vapor deposition at 850 °C from mixtures of dichlorosilane and ammonia. σ for each film was determined from Fourier transform infrared spectroscopy and ellipsometric measurements. Increasing the silicon content from 0% to 25% volume fraction amorphous silicon led to increased optical absorption and a corresponding systematic increase in σ from 4.77 × 10 –20 to 6.95 × 10 –20 cm 2 , which is consistent with literature values. The authors believe that this trend is related to charge transfer induced structural changes in the basal SiN x tetrahedron as the volume fraction of amorphous silicon increases. Furthermore, experimental $σ$ values were used to calculate the effective dipole oscillating charge, q, for four films of varying composition. The authors find that q increases with increasing amorphous silicon content, indicating that compositional factors contribute to modulation of the Si–N dipole moment. Additionally, in the composition range investigated, the authors found that $σ$ agrees favorably with trends observed in films deposited by plasma enhanced chemical vapor deposition.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Temperature-dependent dielectric function of tantalum nitride formed by atomic layer deposition for tunnel barriers in Josephson junctions

Here, we report the dielectric functions of insulating tantalum nitride (TaN) films deposited by atomic layer deposition (ALD) on 300 mm Si/SiO 2 substrates to evaluate their suitability as tunnel barriers in tantalum-based Josephson junctions (JJs) for superconducting quantum circuits. Temperature-dependent ellipsometric angles were measured for ALD TaN films with nominal thicknesses of 13 and 25 nm at an incidence angle of 70°, over photon energy ranges of 0.03–0.7 eV (80–300 K) and 0.5–6.5 eV (80–600 K). These data were used to develop a dispersion model for insulating ALD TaN that incorporates a Tauc–Lorentz oscillator with an optical bandgap of 1.5–1.8 eV to describe interband transitions. The extracted dielectric function shows insulating behavior (mid-infrared transparency) at all temperatures and for both film thicknesses tested. In particular, ALD TaN does not exhibit infrared absorption due to free carriers, even at elevated temperatures, consistent with the insulating behavior required for a JJ tunnel barrier. Results from transmission electron microscopy (including selected area electron diffraction) and x-ray diffraction are also discussed. Sputter depth-profile x-ray photoelectron spectroscopy shows an N/Ta ratio of ∼1.2 throughout the film. The lower bandgap, low roughness, and thermal stability of ALD TaN compared to AlO x suggest the possibility of fabricating JJs with thicker barriers while achieving critical current densities required for qubits, enabling improved thickness and composition control, reduced topography, and resistance to aging.

36 MATERIALS SCIENCE↗
NASA NTRS1972

A study of the microstructure and optical properties of thin lead-dielectric cermet films

A transmission electron microscopy study involving direct and replicating techniques is directed to a definition of the microstructure of radio frequency-sputtered, thin lead-dielectric cermet films. Once defined, this microstructure is used to obtain theoretical film refractive indices. The Maxwell Garnett theory provides a basis for the theoretical results. Measurements of film transmission and reflectivity are used to obtain rough experimental values for film refractive indices by the Tekucheva method. More exact values are obtained via ellipsometry. The rough Tekucheva values are used to determine the range over which computer calculations interpreting the ellipsometric results must be made. This technique yields accurate values for the film refractive indices.

Owen, R. B.↗
NASA NTRS1979

Experimental studies of the formation/deposition of sodium sulfate in/from combustion gases

An optical polarization (ellipsometric) technique was developed for measuring rapidly growing and evaporating transparent liquid condensate films (e.g., boric oxide) on solid surfaces exposed to combustion product gases. Results for the B2O3 deposition rate from BCl3-seeded propane/air flames are shown to agree well with the results of earlier interference measurements, and also with theoretical CVD predictions. Evaporation rates (from platinum ribbons into seeded propane air flames) are estimated using the polarization technique. It appears that, compared with the interference method, the polarization technique places less stringent requirements on surface quality, which may justify the added optical components needed for such measurements. It is concluded that the complementary optical methods of polarization (ellipsometry) and interference hold considerable promise for application to the rapid measurement of condensation and evaporation rates in high temperature (e.g., combustion product) environments.

Rosner, D. E.↗
NASA NTRS1984

Optical constants of organic tholins produced in a simulated Titanian atmosphere - From soft X-ray to microwave frequencies

The determination of the real (n) and imaginary (k) parts of the complex refractive index of thin films of the dark reddish organic solids called tholins, produced by continuous D.C. discharge through a 0.9 N2/0.1 CH4 gas mixture at 0.2 mb, is reported. For the 250 A-1000 micron wavelength range, n and k have been determined from a combination of transmittance, specular reflectance, interferometric, Brewster angle, and ellipsometric polarization measurements. Experimental uncertainties are estimated at + or -0.05 for n and + or -30 percent for k. The results in the visible range are consistent with deductions made by ground-based and spacecraft observations of Titan, in whose atmosphase tholins are thought to be present.

Khare, B. N.↗
NASA NTRS1985

Wetting layers and dispersion forces for a fluid in contact with a vertical wall

Ellipsometric measurements of the thickness of the wetting layer of sulfur hexafluoride that forms on a fused-silica surface partially immersed in the liquid are presented. The components of the experiment included a He-Ne laser (0.6328 micron), polarizer, and quarter-wave plate with 45-deg azimuth. An optical-grade fused-silica prism was polished to wavelength/20, and strain-induced birefringence was accounted for. It was found that the layer thickness decreases from 40 to 20 nm with a height increase from 0.7 to 3 mm above the liquid-vapor interface. The thickness is independent of the temperature between 10 and 0.1 K below the critical temperature (319 K). The results are compared in detail to the theory of Dzyaloshinskii et al. (1961), and are noted to coincide closely.

Kayser, R. F.↗
NASA NTRS1989

Optical dispersion relations for diamondlike carbon films

Ellipsometric measurements on plasma deposited diamondlike amorphous carbon (a-C:H) films were taken in the visible, (E=1.75 to 3.5 eV). The films were deposited on Si and their properties were varied using high temperature (up to 750 C) anneals. The real (n) and imaginary (k) parts of the complex index of refraction N were obtained simultaneously. Following the theory of Forouhi and Bloomer, a least squares fit was used to find the dispersion relations n(E) and k(E). Reasonably good fits were obtained, showing that the theory can be used for a-C:H films. Moreover, the value of the energy gap (Eg) obtained in this way was compared to the Eg value using conventional Tauc plots and reasonably good agreement was obtained.

Alterovitz, Samuel A.↗
NASA NTRS1990

Optical dispersion relations for diamondlike carbon films

Ellipsometric measurements on plasma deposited diamondlike amorphous carbon (a-C:H) films were taken in the visible, (E = 1.75 to 3.5 eV). The films were deposited on Si and their properties were varied using high temperature (up to 750 C) anneals. The real (n) and imaginary (k) parts of the complex index of refraction, N, were obtained simultaneously. Following the theory of Forouhi and Bloomer, a least squares fit was used to find the dispersion relations n(E) and k(E). Reasonably good fits were obtained, showing that the theory can be used for a-C:H films. Moreover, the value of the energy gap, Eg, obtained in this way was compared the the Eg value using conventional Tauc plots and reasonably good agreement was obtained.

Alterovitz, Samuel A.↗