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At least 577 records · Page 32

Thrust #3: Simulation and Measurement of Bio-enabled Lensless Infrared Focusing and Spatially-Controlled Multiwavelength IR reflection

The path to quantitatively characterizing the possible impact of refractive index on the focusing behavior of C. Wailesii diatoms frustules and their replicas first required the careful design of a control experiment that allowed for judicious control of both material and hole pattern variables, which are thought to govern focusing behavior. This was accomplished by FIB-milling synthetic hole patterns with well-controlled dimensions into thin SiO 2 and MgO/Si films. In doing so, an ideal sample is obtained whose pore patterns can be simulated via beam propagation methods and whose relatively simple interference patterns can be measured by far-field diffraction imaging. Together with refractive index measurements via ellipsometry on SiO 2 and MgO/Si thin films, these results showed that the focusing distances at six different wavelengths over 550-1050 nm are strongly correlated with the dispersion of the refractive index in this range. Although assertions have been made to this point in the literature, the results given here presented an improved characterization of the role that refractive index played in focusing behavior in a “diatom-like” hole pattern that otherwise is missing in earlier works due to inadequate characterization of refractive index dispersion and poor control over hole pattern dimensions. These results provided a reference point with which measurements and simulations of diatoms and their replicas can be compared.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Surface Analysis and Hydrogen Permation Measurements for Super-Permeating Membrane Materials

In this report, we summarize preliminary surface characterization results for Nb surfaces, using low energy ion scattering, direct recoil spectrometry, and Auger electron spectroscopy. While most surface analysis tools cannot detect hydrogen, the low energy ion beam techniques described here are among the few techniques that are directly sensitive to it. For this study, we examined chemisorption using both molecular and atomic hydrogen (using an heated tungsten capillary to dissociate the hydrogen.) To complement these results, we have been performing ex-situ spectroscopic ellipsometry as a means of detecting the surface oxide.

36 MATERIALS SCIENCE↗

Testing the possibility of magnetic domain imaging based on circular & linear dichroism using photoemission electron microscopy

In recent years, an increasing number of memory and spintronic devices have been developed exploiting the combination of ferromagnetic (FM) and anti-ferromagnetic (aFM) materials. Consequently, magnetic imaging based on continuous-wave (CW) ultraviolet (UV) (λ = 266nm and longer wavelength) photoemission electron microscopy (PEEM) is gaining considerable attention due to the possibility of determining magnetizations for FM and aFM materials with 10 nm lateral resolution at video rate image acquisition. This PEEM-based approach exploits the polarization-dependent photoemission yield, which is subject to the polarization vector and the FM or aFM magnetization direction. Because of this unique attribute, magnetic imaging using PEEM when coupled to a laser with multiple illumination geometries allows for characterizing in-plane and out-of-plane magnetizations. This concept, however, has not been tested using a deep-UV laser (λ = 213nm), which has a much broader application space than the longer wavelength excitation used in previous reports. The purpose of this project in FY17 was to show the proof-of-concept of magnetic circular dichroism (MCD)-PEEM imaging using a λ = 210nm pulsed laser. Our results demonstrated the feasibility of in-plane and out-of-plane magnetic imaging with the limitations in the lateral resolution, data acquisition time, and signal-to-noise ratio anticipated for using a pulsed laser of moderate power. The project goal for FY18 is to construct the automated polarization-controlled data acquisition, and to establish the new lab facility in anticipation of acquiring a state-of-the-art high-power 213nm CW laser, planned to be installed in FY19. We successfully demonstrate the former by measuring dielectric stacks with polarization-dependent photoemission yield. Extrapolating from our result, we conclude that the capability of PEEM-based magnetic imaging using a CW deep UV laser could be a potential game-changer for scientific investigations and technological developments of magnetic materials and spintronic devices. In addition, polarization controlled PEEM imaging shows the potential for ellipsometry imaging of embedded nanomaterials exploiting their subtle differences in optical constants with respect to their surrounding dielectrics.

36 MATERIALS SCIENCE↗

Investigation of Ga 2 O 3 as a new transparent conductive oxide for photovoltaics applications

This small innovation project intended to leverage recent activity and advances in ultrawide-bandgap oxide power electronics toward the investigation of Ga 2 O 3 as a transparent conductive oxide (TCO) for use in photovoltaics (PV). Ga 2 O 3 ’s theoretical advantage over incumbent TCOs is its very large bandgap of 4.8 eV, ensuring optical transparency of photons with λ ≥ 260 nm, effectively the full terrestrial solar spectrum. At the time of proposal writing, literature on Ga 2 O 3 as a TCO/optical material was relatively sparse — what little existed was focused on for UV sensors and/or emitters, with none related to PV. As such, this project was intended to help determine the potential of Ga 2 O 3 as a PV-oriented TCO by investigating its deposition using tools common to the PV and electronics industries — atomic layer deposition (ALD) and RF sputtering (RS), both of which are already used in PV manufacturing — and its resultant optical and electronic properties. Final project goals were to test its application to Si and III-V solar cells. Controllable film thickness and excellent uniformity was established for both methods deposition methods, with ALD providing higher precision for thinner films and RS more effective for growing thicker films. The as-deposited films were found to be amorphous in nature. Spectroscopic ellipsometry (SE) confirmed bandgaps of at least 4.8 eV and non-parasitic absorption across both AM0 and AM1.5G spectra; a refractive index approaching the expected value of 1.8 was also observed, with some degree of tunability based on process parameters. Using this initial optical data, a transfer matrix model, which interfaces with in-house EQE and LIV models, was developed to simulate Ga 2 O 3 optical effects on various solar cells, included potential in antireflection coatings (ARCs). Despite promising optical properties, the resultant resistivity / conductivity metrics did not meet expectations, regardless of deposition process. Although thick RS-deposited films, using both undoped and 1 at% Ge (n-type) doped sintered targets — demonstrated high net carrier concentrations (via C-V), and low specific resistance Ohmic contacts were demonstrated, transmission line measurements (TLM) showed very high resistivity. Further analysis indicated high vertical film conductivity, but very low lateral conductivity. Deeper characterization revealed a relatively high density of nano/microcrystalline inclusions that were ostensibly the source of the vertical conductivity, with the amorphous matrix serving as an effective insulator (likely due to high concentrations of electronic trap states). Despite extensive work to increase film polycrystallinity — demonstrated via high temperature annealing — sufficient lateral conductivity for TCO use was not achieved. The final phase of the project shifted focus toward investigation of ALD-deposited Ga 2 O 3 ’s potential as a passivant and/or passivating contact for both Si and III-V solar cells, with expectation of performance similar to Al 2 O 3 . However, initial rounds of testing using our baseline ALD process yielded minimal (but not quite zero) passivation of both GaInP and Si surfaces. Dielectric passivation is well-known to be highly process sensitive; given the unoptimized nature of the process used, this work was deemed inconclusive. The final outlook with respect to feasibility of Ga 2 O 3 as a PV-oriented TCO is, ultimately, still uncertain. The work performed in this project confirmed the optical properties and deposition methods, but the achieved electrical properties do not meet technological needs; literature reports in recent years are somewhat inconsistent and potentially untrustworthy, but generally appear to be in line with our results. At the very least it is clear that, should Ga 2 O 3 still be under consideration for PV TCO and/or selective contact applications, a significant amount of optimization and study is still needed.

14 SOLAR ENERGY↗

Quantifying Optical Loss of High-Voltage Degradation Modes in PV Modules Using Spectral Analysis [Slides]

The direct current bias for photovoltaic (PV) modules interconnected in series-strings may include both high voltage negative ("HV-") and positive ("HV+") polarity with respect to the electrical ground. Multiple degradation modes, resulting in quantifiable optical loss, were found to occur during HV-/HV+ sequential stress, including: corrosion of the external glass surface, encapsulant delamination (at its interfaces with the glass and the PV cell), internal haze formation (resulting from a chemical interaction between the glass and the encapsulant), corrosion and migration of the gridlines, and corrosion of the silicon nitride (SixNy) antireflective coating on the cell. The effects of these separate modes were examined using monolithic (e.g., glass or PV cell) and laminated-coupon (glass/encapsulant/glass or glass/encapsulant/cell/encapsulant/backsheet) specimens. Characterizations during and after unbiased accelerated testing at 85 degrees C/85% relative humidity included: spectrophotometry, optical microscopy, electron microscopy, and ellipsometry. For some module components (i.e., the glass and the SixNy coating), the optical performance was determined through iterative analysis of empirical measurements. Concentrating on just their spectral effect, a novel model was then developed to estimate the transfer of light to the PV cell and the return of light from the PV module with simultaneous degradation mechanisms, which was compared to a mini-module previously subjected to HV-/HV+ stress. The model suggests one-third of the current loss observed for the mini-module can be attributed to the optical degradation of the packaging materials. The dominant degradation modes include encapsulant delamination and corrosion of the SixNy coating. Recommendations are given so that the optical model may be improved relative to accelerated testing and validated relative to field aging.

14 SOLAR ENERGY↗

Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations

This paper presents a large-scale ab initio simulation study of amorphous silicon hydride (a-Si 1-x H x ) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by combining accelerated molecular dynamics (MD) simulations with first-principles density-functional calculations. The accelerated MD scheme relied on classical metadynamics, which enabled the development of 2600+ high-quality structural models of a-Si 1-x H x , with system sizes ranging from 150 to 6,000 atoms and hydrogen concentrations vary from 6 to 20 at. %. The resulting amorphous networks were found to be completely free from any coordination defects and that they all exhibited a pristine band-gap in their electronic spectrum. The microstructural properties of hydrogen distributions were examined with great emphasis on the presence of isolated and clustered environments of hydrogen atoms. The results were compared with a suite of experimental data obtained from x-ray diffraction, infrared spectroscopy, spectroscopic ellipsometry and nuclear magnetic resonance studies.

36 MATERIALS SCIENCE↗

Understanding spectral dependance of laser-induced damage precursors in dielectric materials (Full report_23-ERD-006)

The performance of high-energy laser systems is constrained by laser-induced damage in dielectric coatings, particularly those containing hafnium oxide (HfO 2 ). While thresholds at fundamental Nd harmonics are well studied, the spectral dependence of damage initiation—especially under dual-wavelength irradiation—remains poorly characterized. This project provides the first systematic investigation of wavelength-dependent laser damage in hafnia coatings, focusing on nanoscale precursors such as craze lines, nanobubbles, stoichiometric variations, nodules, and controlled crystallization. Coatings were fabricated via ion beam sputtering and electron-beam deposition and characterized using spectrophotometry, ellipsometry, AFM, GI-XRD, RBS, PCI absorption, and fs/ns laser damage testing. Results show that craze lines, benign under infrared light, strongly initiate damage under UV due to wavelength-selective field intensification. Substituting xenon for argon suppresses nanobubbles and improves UV thresholds by up to 32%. Oxygen modulation reveals that fully oxidized films maximize UV resistance, though at the cost of porosity and stress in multilayers. HfO 2 –SiO 2 composites resist crystallization and defects while achieving ppm-level absorption and elevated thresholds, whereas full crystallization of HfO 2 enhances LIDT by reducing defects and improving thermal transport. Collectively, these findings link photon energy, defect states, and bandgap collapse, providing a predictive framework for wavelength-dependent laser damage. The outcomes directly inform the design of durable, multi-wavelength coatings for facilities such as NIF, MEC, HAPLS, and DPAL, advancing the readiness of next-generation optics.

36 MATERIALS SCIENCE↗

Ionically Paired Layer-by-Layer Hydrogels: Water and Polyelectrolyte Uptake Controlled by Deposition Time

Despite intense recent interest in weakly bound nonlinear (“exponential”) multilayers, the underlying structure-property relationships of these films are still poorly understood. This study explores the effect of time used for deposition of individual layers of nonlinearly growing layer-by-layer (LbL) films composed of poly(methacrylic acid) (PMAA) and quaternized poly-2-(dimethylamino)ethyl methacrylate (QPC) on film internal structure, swelling, and stability in salt solution, as well as the rate of penetration of invading polyelectrolyte chains. Thicknesses of dry and swollen films were measured by spectroscopic ellipsometry, film internal structure—by neutron reflectometry (NR), and degree of PMAA ionization—by Fourier-transform infrared spectroscopy (FTIR). The results suggest that longer deposition times resulted in thicker films with higher degrees of swelling (up to swelling ratio as high as 4 compared to dry film thickness) and stronger film intermixing. The stronger intermixed films were more swollen in water, exhibited lower stability in salt solutions, and supported a faster penetration rate of invading polyelectrolyte chains. These results can be useful in designing polyelectrolyte nanoassemblies for biomedical applications, such as drug delivery coatings for medical implants or tissue engineering matrices.

36 MATERIALS SCIENCE↗

Synthesis of epitaxial TaO$_2$ thin films on Al$_2$O$_3$ by suboxide molecular-beam epitaxy and thermal laser epitaxy

Tantalum dioxide (TaO2) is a metastable tantalum compound. Here, we report the epitaxial stabilization of TaO2 on Al2O3 (1-102) (r-plane sapphire) substrates using suboxide molecular-beam epitaxy (MBE) and thermal laser epitaxy (TLE), demonstrating single-oriented, monodomain growth of anisotropically strained thin films. Microstructural investigation is performed using synchrotron X-ray diffraction and scanning transmission electron microscopy. The tetravalent oxidation state of tantalum is confirmed using X-ray absorption and photoemission spectroscopy as well as electron energy-loss spectroscopy. Optical properties are investigated via spectroscopic ellipsometry and reveal a 0.3 eV Mott gap of the tantalum 5d electrons. Density-functional theory and group theoretical arguments are used to evaluate the limited stability of the rutile phase and reveal the potential to unlock a hidden metal-insulator transition concomitant with a structural phase transition to a distorted rutile phase, akin to NbO2. Our work expands the understanding of tantalum oxides and paves the way for their integration into next-generation electronic and photonic devices.

FOS: Physical sciences↗

Metalorganic chemical vapor deposition and characterization of (Al,Si)O dielectrics for GaN–based devices

In this study, we report on the growth and electrical characterization of (Al,Si)O dielectrics grown by metalorganic chemical vapor deposition (MOCVD) using trimethylaluminum, oxygen, and silane as precursors. The growth rates, refractive indices, and composition of (Al,Si)O films grown on Si(001) were determined from ellipsometry and XPS measurements. Crystallinity and electrical properties of (Al,Si)O films grown in situ on c-plane GaN were characterized using grazing incidence X-ray diffraction and capacitance–voltage with current–voltage measurements, respectively. Si concentration in the films was found to be tunable by varying the trimethylaluminum and/or oxygen precursor flows. The Si incorporation suppressed the formation of crystalline domains, leading to amorphous films that resulted in reduced interfacial trap density, low gate leakage and ultra-low hysteresis in (Al,Si)O/n-GaN MOS-capacitors.

25 ENERGY STORAGE↗

Changes in optical properties of the Surveyor 3 camera

The measurements made to analyze changes in the camera's optical performance involved the following areas: (1) spectral reflectance (specular), (2) gonioreflectance, (3) ellipsometry, (4) spectral transmission, (5) contrast and modulation transfer, and (6) photography (macro and micro).

Rennilson, J.↗

Adhesion, friction, wear, and lubrication research by modern surface science techniques.

The field of surface science has undergone intense revitalization with the introduction of low-energy electron diffraction, Auger electron spectroscopy, ellipsometry, and other surface analytical techniques which have been sophisticated within the last decade. These developments have permitted submono- and monolayer structure analysis as well as chemical identification and quantitative analysis. The application of a number of these techniques to the solution of problems in the fields of friction, lubrication, and wear are examined in detail for the particular case of iron; and in general to illustrate how the accumulation of pure data will contribute toward the establishment of physiochemical concepts which are required to understand the mechanisms that are operational in friction systems. In the case of iron, LEED, Auger and microcontact studies have established that hydrogen and light-saturated organic vapors do not establish interfaces which prevent iron from welding, whereas oxygen and some oxygen and sulfur compounds do reduce welding as well as the coefficient of friction. Interpretation of these data suggests a mechanism of sulfur interaction in lubricating systems.

Keller, D. V., Jr.↗

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.↗

The Gaertner L119 ellipsometer and its use in the measurement of thin films

An introduction to the study of ellipsometry is presented, with special attention given to the Gaertner model L119 ellipsometer and the techniques of measuring thin films with this instrument. Values obtained from the ellipsometer are analyzed by a computer program for a determination of optical constants and thickness of the film.

Linkous, M.↗

Remote sensing of vegetation and soil

Microwave ellipsometry apparatus reflects circularly polarized train of microwaves from vegetation at predetermined angle of incidence to determine ratio of intensities of electric field components and their phase differences. Refractive index given by water content of vegetation and thickness of vegetation layer are computed from formula based on Maxwell's equations.

Schutt, J. B.↗

A study of molecular contamination

Contamination kinetics of typical space materials were studied using several techniques, including ellipsometry. Data were obtained on contaminant deposition rates, sticking coefficients, and reevaporation of the contamination. Materials studied included silicone sealants, a thermal control paint, and a graphite laminate as contaminant sources, and gold coated surfaces, a thermal control paint and a second surface mirror material as the contaminees. Both deposition and reevaporation rates were found to be nonlinear with time, and followed an exponential decay. A hypothesis is presented that the nonlinear behavior was a result of disproportionation of the molecular weight fractions of the polymers. The measured sticking coefficients were found to vary substantially with temperature over narrow ranges. Simulated space radiation was found to reduce the evaporation rates of contaminants by several orders of magnitude.

Allen, T. H.↗

Study of Al with a combined Auger electron spectrometer-ellipsometer system

Auger electron spectroscopy and ellipsometry were applied in order to measure the optical constants and study the surface chemistry of vapor-deposited Al films and high-purity bulk Al surfaces in situ under vacuum. The optical constants measured were compared with the extinction coefficient computed by the free-electron theory. The contamination of the clean Al surface was in the form of a metal oxide film. Auger electron spectroscopic measurements were used to establish the relationship between the Auger peaks of O (513 eV) and aluminum oxide (53 eV) and changes in the measured optical phase and film thickness. The free path length of the Al Auger electrons (67 eV) in the oxide film was determined, and it was shown that the amplitude of these peaks is a linear function of film thickness down to 0.6 A.

Allen, T. H.↗