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At least 775 records · Page 43

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DOE OSTI2016

Room temperature luminescence and ferromagnetism of AlN:Fe

AlN:Fe polycrystalline powders were synthesized by a modified solid state reaction (MSSR) method. Powder X-ray diffraction and transmission electron microscopy results reveal the single phase nature of the doped samples. In the doped AlN samples, Fe is in Fe{sup 2+} state. Room temperature ferromagnetic behavior is observed in AlN:Fe samples. Two photoluminescence peaks located at about 592 nm (2.09 eV) and 598 nm (2.07 eV) are observed in AlN:Fe samples. Our results suggest that AlN:Fe is a potential material for applications in spintronics and high power laser devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Valley splitting of single-electron Si MOS quantum dots

Here, silicon-based metal-oxide-semiconductor quantum dots are prominent candidates for high-fidelity, manufacturable qubits. Due to silicon's band structure, additional low-energy states persist in these devices, presenting both challenges and opportunities. Although the physics governing these valley states has been the subject of intense study, quantitative agreement between experiment and theory remains elusive. Here, we present data from an experiment probing the valley states of quantum dot devices and develop a theory that is in quantitative agreement with both this and a recently reported experiment. Through sampling millions of realistic cases of interface roughness, our method provides evidence that the valley physics between the two samples is essentially the same.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Optimizing Charge-coupled Device Readout Enabled by the Floating-gate Amplifier

Multiple-Amplifier Sensing (MAS) charge-coupled devices (CCDs) have recently been shown to be promising silicon detectors that meet noise sensitivity requirements for next generation Stage-5 spectroscopic surveys and potentially, future space-based imaging of extremely faint objects on missions such as the Habitable Worlds Observatory. Building upon the capability of the Skipper CCD to achieve deeply sub-electron noise floors, MAS CCDs utilize multiple floating-gate amplifiers along the serial register to increase the readout speed by a factor of the number of output nodes compared to a Skipper CCD. We introduce and experimentally demonstrate on a 16-channel prototype device new readout techniques that exploit the MAS CCD’s floating-gate amplifiers to optimize the correlated double sampling by resetting once per line instead of once per pixel. With this new mode, we find an optimal filter to subtract the noise from the signal during read out. We also take advantage of the MAS CCD’s structure to tune the read time by independently changing integration times for the signal and reference level. Together with optimal weighted averaging of the 16 outputs, these approaches enable us to reach a sub-electron noise of 0.9 e − rms pix −1 at 19 μs pix −1 for a single charge measurement per pixel—simultaneously giving a 30% faster readout time and 10% lower read noise compared to performance previously evaluated without these techniques.

Lin, Kenneth W. (ORCID:0000000189672281)↗

DOE OSTI2020

Understanding Measurement Artifacts Causing Inherent Cation Gradients in Depth Profiles of Perovskite Photovoltaics with TOF-SIMS

Time-of-flight secondary-ion mass spectrometry (TOF-SIMS) is one of the few techniques that can obtain chemical information from the hybrid organic-inorganic perovskite solar cells (PSCs) in one dimension (standard depth profiling), two dimensions (high-resolution 100-nm imaging), as well as three dimensions (tomography combining high-resolution imaging with depth profiling). We have very recently developed thermo-mechanical methods to cleave perovskite samples at the back transparent conducting oxide/PSC interface. This allowed for depth-profiling from the back of the device to the front. The resultant profiles answered the lingering question of the apparent A-site cation gradient typically seen in TOF-SIMS depth profiles. In fact, this gradient is a measurement artifact due to beam damage that the community should be informed of as TOF-SIMS data become more commonly employed. Methods of mitigating this artifact by altering the measurement conditions are also presented.

14 SOLAR ENERGY↗

DOE OSTI2018

Characterization of Uranium Ore Concentrate Chemical Composition via Raman Spectroscopy

Uranium Ore Concentrate (UOC, often called yellowcake) is a generic term that describes the initial product resulting from the mining and subsequent milling of uranium ores en route to production of the U-compounds used in the fuel cycle. Depending on the mine, the ore, the chemical process, and the treatment parameters, UOC composition can vary greatly. With the recent advent of handheld spectrometers, we have chosen to investigate whether either commercial off-the-shelf (COTS) handheld devices or laboratory-grade Raman instruments might be able to i) identify UOC materials, and ii) differentiate UOC samples based on chemical composition and thus suggest the mining or milling process. Twenty-eight UOC samples were analyzed via FT-Raman spectroscopy using both 1064 nm and 785 nm excitation wavelengths. These data were also compared with results from a newly developed handheld COTS Raman spectrometer using a technique that lowers background fluorescence signal. Initial chemometric analysis was able to differentiate UOC samples based on mine location. Additional compositional information was obtained from the samples by performing XRD analysis on a subset of samples. The compositional information was integrated with chemometric analysis of the spectroscopic dataset allowing confirmation that class identification is possible based on compositional differences between the UOC samples, typically involving species such as U3O8, α-UO2(OH)2, UO4•2H2O (metastudtite), K(UO2)2O3, etc. While there are clearly excitation λ sensitivities, especially for dark samples, Raman analysis coupled with chemometric data treatment can nicely differentiate UOC samples based on composition and even mine origin.

Su, Yin-Fong↗

DOE OSTI2016

TU-FG-BRB-01: Dual Energy CT Proton Stopping Power Ratio Calibration and Validation with Animal Tissues

Purpose: The conversion of Hounsfield Unit (HU) to proton stopping power ratio (SPR) is a main source of uncertainty in proton therapy. In this study, the SPRs of animal tissues were measured and compared with prediction from dual energy CT (DECT) and single energy CT (SECT) calibrations. Methods: A stoichiometric calibration method for DECT was applied to predict the SPR using CT images acquired at 80 kVp and 140 kVp. The dual energy index was derived based on the HUs of the paired spectral images and used to calculate the SPRs of the materials. Tissue surrogates with known chemical compositions were used for calibration, and animal tissues (pig brain, liver, kidney; veal shank, muscle) were used for validation. The materials were irradiated with proton pencil beams, and SPRs were deduced from the residual proton range measured using a multi-layer ion chamber device. In addition, Gafchromic EBT3 films were used to measure the distal dose profiles after irradiation through the tissue samples and compared with those calculated by the treatment planning system using both DECT and SECT predicted SPRs. Results: The differences in SPR between DECT prediction and measurement were −0.31±0.36% for bone, 0.47±0.42% for brain, 0.67±0.15% for liver, 0.51±0.52% for kidney, and −0.96±0.15% for muscle. The corresponding results using SECT were 3.1±0.12%, 1.90±0.45%, −0.66±0.11%, 2.33±0.21%, and −1.70±0.17%. In the film measurements, average distances between film and calculated distal dose profiles were 0.35±0.12 mm for DECT calibration and −1.22±0.12 mm for SECT calibration for a beam with a range of 15.79 cm. Conclusion: Our study indicates that DECT is superior to SECT for proton SPR prediction and has the potential to reduce the range uncertainty to less than 2%. DECT may permit the use of tighter distal and proximal range uncertainty margins for treatment, thereby increasing the precision of proton therapy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

An Assessment of Critical Dimension Small Angle X-ray Scattering Metrology for Advanced Semiconductor Manufacturing

Simultaneous migration of planar transistors to FinFET architectures, the introduction of a plurality of materials to ensure suitable electrical characteristics, and the establishment of reliable multiple patterning lithography schemes to pattern sub-10 nm feature sizes imposes formidable challenges to current in-line dimensional metrologies. Because the shape of a FinFET channel cross-section immediately influences the electrical characteristics, the evaluation of 3D device structures requires measurement of parameters beyond traditional critical dimension (CD), including their sidewall angles, top corner rounding and footing, roughness, recesses and undercuts at single nanometer dimensions; thus, metrologies require sub-nm and approaching atomic level measurement uncertainty. Synchrotron critical dimension small angle X-ray scattering (CD-SAXS) has unique capabilities to non-destructively monitor the cross-section shape of surface structures with single nanometer uncertainty and can perform overlay metrology to sub-nm uncertainty. In this dissertation, we perform a systematic experimental investigation using CD-SAXS metrology on a hierarchy of semiconductor 3D device architectures including, high-aspect-ratio contact holes, H2 annealed Si fins, and a series of grating type samples at multiple points along a FinFET fabrication process increasing in structural intricacy and ending with fully fabricated FinFET. Comparative studies between CD-SAXS metrology and other relevant semiconductor dimensional metrologies, particularly CDSEM, CD-AFM and TEM are used to determine physical limits of CD-SAXS approach for advanced semiconductor samples. CD-SAXS experimental tradeoffs, advice for model-dependent analysis and thoughts on the compatibility with a semiconductor manufacturing environment are discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2016

Novel Applications of the Multi-Beam SEM [Abstract Only]

The Zeiss Multi-Beam Scanning Electron Microscope (MultiSEM) was used to image a wide array samples using non-standard operating conditions. The ability of this new, high-throughput imaging technique to produce high-quality images was assessed during this one year LDRD. In addition to exploring new imaging conditions, sample preparation techniques, coupled with theoretical simulations, were explored to optimize the MultiSEM images. To obtain details about the devices imaged, as well as the experimental details, please refer to the classified report from the project manager, Bradley Gabel, or the Cyber IA lead, Justin Ford.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Ultrafast Dynamics of Molecules on Surfaces Studied with Time-Resolved XUV Photoelectron Spectroscopy (Final Report)

In this project we set out to make technical advances in time-resolved photoemission from surfaces and study molecule-surface charge transfer processes. Combining a novel light source developed at Stony Brook with a new type of time-of-flight photoemission electron microscope (TOF k-mic) developed in Mainz, Germany, we achieved the former goal. Our light source, based on cavity-enhanced high harmonic generation at 61 MHz repetition rate, enables ultrafast time-resolved photoemission experiments to be conducted with orders of magnitude higher photocurrents than otherwise possible. Critically, this provides the high dynamic range necessary to study perturbatively excited samples, such that one can study the intrinsic dynamics of electrons and holes as they would occur in a device. Combining our light source with the TOF k-mic, we’ve achieved an overall improvement in data rate of time- and angle-resolved photoemission (tr-ARPES) of approximately four orders of magnitude over the previous state-of-the-art using kHz-repetition rate sources and conventional hemispherical electron analyzers. This new instrument is now being used in experiments on 2D materials and organic semiconductors.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Centrifugal Microfluidic Platform for Rapid, Multiplexed Detection of TB and HIV Biomarkers in Whole Blood Samples

Infection with Mycobacterium Tuberculosis represents a significant threat to people with immune disorders, such as HIV-positive individuals, and can result in significant health complications or death if not diagnosed and treated early. We present a centrifugal microfluidic platform for multiplexed detection of tuberculosis and HIV biomarkers in human whole blood with minimal sample preparation and a sample-to-answer time of 30 minutes. This multiplexed assay was developed for the detection of two M.tuberculosis secreted proteins, whose secretion represents an active and ongoing infection, as well as detection of HIV p24 protein and human anti-p24 antibodies. The limit of detection for this multiplex assay is in the pg/mL range for both HIV and M.tuberculosis proteins, making this assay potentially useful in the clinical diagnosis of both HIV and Tuberculosis proteins indicative of active infection. Antigen detection for the HIV assay sensitivity was 89%, the specificity 85%. Serological detection had 100% sensitivity and specificity for the limited sample pool. The centrifugal microfluidic platform presented here offers the potential for a portable, fast and inexpensive multiplexed diagnostic device that can be used in resource-limited settings for diagnosis of TB and HIV.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

NLR HPC Eagle Node Power Data

Power time series captured from all Eagle nodes using iLO (Integrated Lights Out) The Eagle HPC operated at NLR from 2019 through 2024. Eagle was a 2,000-node, 8-petaflop system. This dataset is a comprehensive time series of instantaneous snapshots of power usage at 1 minute intervals from all nodes at the node level. Data provided in compressed Hive dataset/Parquet format. iLO Power Time Series Fields ts: Timestamp dv: Device / Node - Rack and Unit - r103u17 == r(ack)103u(nit)17 vl: Value - Value in watts (instantaneous value at sampling time) day month year

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

System and method for optical fiber based image acquisition suitable for use in turbine engines

A system and a method for image acquisition suitable for use in a turbine engine are disclosed. Light received from a field of view in an object plane is projected onto an image plane through an optical modulation device and is transferred through an image conduit to a sensor array. The sensor array generates a set of sampled image signals in a sensing basis based on light received from the image conduit. Finally, the sampled image signals are transformed from the sensing basis to a representation basis and a set of estimated image signals are generated therefrom. The estimated image signals are used for reconstructing an image and/or a motion-video of a region of interest within a turbine engine.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Arbitrary electron dose waveforms for electron microscopy

A device may include an electron source, a detector, and a deflector. The electron source may be directed toward a sample area. The detector may receive an electron signal or an electron-induced signal. A deflector may be positioned between the electron source and the sample. The deflector may modulate an intensity of the electron source directed to the sample area according to an electron dose waveform having a continuously variable temporal profile.

Bloom, Ruth Shewmon↗

DOE OSTI2023

Arbitrary electron dose waveforms for electron microscopy

Bloom, Ruth Shewmon↗

DOE OSTI2024

Thermal Transport and Mechanical Stress Mapping of a Compression Bonded GaN/Diamond Interface for Vertical Power Devices

Bonding diamond to the back side of gallium nitride (GaN) electronics has been shown to improve thermal management in lateral devices; however, engineering challenges remain with the bonding process and characterizing the bond quality for vertical device architectures. Here, in this study, integration of these two materials is achieved by room-temperature compression bonding centimeter-scale GaN and a diamond die via an intermetallic bonding layer of Ti/Au. Recent attempts at GaN/diamond bonding have utilized a modified surface activation bonding (SAB) method, which requires Ar fast atom bombardment immediately followed by bonding within the same tool under ultrahigh vacuum (UHV) conditions. The method presented here does not require a dedicated SAB tool yet still achieves bonding via a room-temperature metal–metal compression process. Imaging of the buried interface and the total bonding area is achieved via transmission electron microscopy (TEM) and confocal acoustic scanning microscopy (C-SAM), respectively. The thermal transport quality of the bond is extracted from spatially resolved frequency-domain thermoreflectance (FDTR) with the bonded areas boasting a thermal boundary conductance of >100 MW/m 2 ·K. Additionally, Raman maps of GaN near the GaN–diamond interface reveal a low level of compressive stress, <80 MPa, in well-bonded regions. FDTR and Raman were coutilized to map these buried interfaces and revealed some poor thermally bonded areas bordered by high-stress regions, highlighting the importance of spatial sampling for a complete picture of bond quality. Overall, this work demonstrates a novel method for thermal management in vertical GaN devices that maintains low intrinsic stresses while boasting high thermal boundary conductances.

Raman↗

DOE OSTI2017

Phase stability in Ag-Cu-In-Ga metal precursors for (Ag,Cu)(In,Ga)Se 2 thin films

The addition of Ag to Cu-Ga-In precursors for reaction to form (AgCu)(InGa)Se 2 has shown benefits including improved adhesion, greater process tolerance and potential for improved device performance. In this study, metal precursors were sputtered with a Cu-Ga/In/Ag-Ga sequence with Ag/(Cu+Ag) = 0.25 and (Ag+Cu)/(Ga+In) = 0.90. These precursor layers are shown to be unstable, with a phase evolution during storage at room temperature revealed by x-ray diffraction (XRD). This behavior was studied in samples annealed in the temperature range of 60–150 °C or stored for up to 90 days. XRD analyses indicated the formation of (Ag 1-x Cu x )In 2 with Cu content of 28% and 36% for samples annealed at 100 °C and 150 °C, respectively. Energy dispersive x-ray spectroscopy and XRD analyses on selenized samples showed a uniform distribution of Ag and Cu through the films and a Ga accumulation near the back interface. Solar cells fabricated from the selenized films showed improved device performance in V OC and FF as a result of the precursor anneal.

(Ag,Cu)(In,Ga)Se2↗

DOE OSTI2018

Luminescence methodology to determine grain-boundary, grain-interior, and surface recombination in thin-film solar cells

We determine the grain-boundary (GB) recombination velocity, S GB , and grain-interior (GI) lifetime, t GI , parameters in superstrate CdS/CdTe thin-film solar cell technology by combining cathodoluminescence (CL) spectrum imaging and time-resolved photoluminescence (TRPL) measurements. We consider critical device formation stages, including after CdTe deposition, CdCl 2 treatment, and Cu diffusion. CL image analysis methods extract GB and GI intensities and grain size for hundreds of grains per sample. Concurrently, a three-dimensional CL model is developed to simulate the GI intensity as a function of t GI , S GB , grain size, and the surface recombination velocity, S surf . TRPL measurements provide an estimate of S surf for the CL model. A fit of GI intensity vs. grain size data with the CL model gives a self-consistent and representative set of S GB and t GI values for the samples: S GB (t GI ) = 2.6 x 10 6 cm/s (68-250 ps), S GB (t GI ) = 4.1 x 10 5 cm/s (1.5-3.3 ns), and S GB (t GI ) = 5.5 x 10 5 cm/s (1.0-3.8 ns) for as-deposited, CdCl 2 -treated, and CdCl 2- A nd Cu-treated samples, respectively. Thus, we find that the CdCl2 treatment both helps to passivate GBs and significantly increase the GI lifetime. Subsequent Cu diffusion increases GB recombination slightly and has nuanced effects on the GI lifetime. Finally, as a partial check on the S GB and t GI values, they are input to a Sentaurus device model, and the simulated performance is compared to the measured performance. The methodology developed here can be applied broadly to CdTe and CdSeTe thin-film technology and to other thin-film solar cell materials including Cu(In 1-x Ga x )Se 2 , Cu 2 ZnSnS 4 , and perovskites.

14 SOLAR ENERGY↗

DOE OSTI2013

Phonon and thermal properties of exfoliated TaSe{sub 2} thin films

We report on the phonon and thermal properties of thin films of tantalum diselenide (2H-TaSe{sub 2}) obtained via the “graphene-like” mechanical exfoliation of crystals grown by chemical vapor transport. The ratio of the intensities of the Raman peak from the Si substrate and the E{sub 2g} peak of TaSe{sub 2} presents a convenient metric for quantifying film thickness. The temperature coefficients for two main Raman peaks, A{sub 1g} and E{sub 2g}, are −0.013 and −0.0097 cm{sup −1}/{sup o}C, respectively. The Raman optothermal measurements indicate that the room temperature thermal conductivity in these films decreases from its bulk value of ∼16 W/mK to ∼9 W/mK in 45-nm thick films. The measurement of electrical resistivity of the field-effect devices with TaSe{sub 2} channels shows that heat conduction is dominated by acoustic phonons in these van der Waals films. The scaling of thermal conductivity with the film thickness suggests that the phonon scattering from the film boundaries is substantial despite the sharp interfaces of the mechanically cleaved samples. These results are important for understanding the thermal properties of thin films exfoliated from TaSe{sub 2} and other metal dichalcogenides, as well as for evaluating self-heating effects in devices made from such materials.

36 MATERIALS SCIENCE↗