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Progress made in the study of defect characterization of silicon dendritic web ribbon is presented. Chemical etching is used combined with optical microscopy, as well as the electron beam induced current (EBIC) technique. Thermal annealing effect on carrier lifetime is examined.
Single-crystal hexagonal boron nitride (hBN) is used extensively in many two-dimensional electronic and quantum devices, where defects significantly impact performance. Therefore, characterizing and engineering hBN defects are crucial for advancing these technologies. Here, we examine the capture and emission dynamics of defects in hBN by utilizing low-frequency noise (LFN) spectroscopy in hBN-encapsulated and graphene-contacted MoS 2 field-effect transistors (FETs). The low disorder of this heterostructure allows the detection of random telegraph signals (RTS) in large device dimensions of 100 μm 2 at cryogenic temperatures. Analysis of gate bias- and temperature-dependent LFN data indicate that RTS originates from a single trap species within hBN. By performing multi-space density functional theory (MS-DFT) calculations on a gated defective hBN/MoS 2 heterostructure model, we assign substitutional carbon atoms in boron sites as the atomistic origin of RTS. This study demonstrates the utility of LFN spectroscopy combined with MS-DFT analysis on a low-disorder all-vdW FET as a powerful means for characterizing the atomistic defects in single-crystal hBN.
As the c-Si based solar cell efficiencies are approaching over 26%, it is becoming critical to characterize the low concentrations of the defects – as low as 10^10-10^11 cm-3 (for e.g., iron contamination in high-lifetime Ga-doped wafers3 and n-type wafers), and further reduce them. Also, atomistic level understanding of the mechanisms of the low concentration process-induced-defects and reliability limiting defects (such as light and elevated temperature induced degradation, surface passivation degradation) is needed to design the mitigation strategies. The conventional characterization techniques are limited due to their detection limitations. Some of the techniques based on lifetime spectroscopies can still be used for low concentration characterization however, they are based on estimations and theoretical models and hence, indirect and cannot fully reveal information about the microscopic mechanism of the defects. Thus, we present the application of an ultrasensitive magnetic resonance-based technique for the direct spectroscopic detection of the defects in Si PV - electrically detected magnetic resonance (EDMR). In this work, we aim to focus on establishing a process flow for fabrication of minicells with (miniature replica of the larger-area cells) and setting up the routine for EDMR measurements on them with the EDMR instrumentation capability at NREL. For the EDMR measurements, sample size is limited by the dimensions of sample holder tube (width less than 3.2 mm, active area - 20 mm). Thus, we have designed c-Si based minicells with polysilicon (poly-Si) passivated contacts same as the larger-area cells that we fabricate in our group at NREL. We also modified our minicell process flow for fabricating the textured minicells for preserving the texture during processing and taking care of the laser-ablation edge damage which can significantly affect the performance of such small devices. We have achieved comparable performance on these newly fabricated minicells as that of our 4 cm2 devices with same structure (comparable VOC, JSC, FF). We also conducted EDMR measurements on the minicells and observed a distinct EDMR signal at g-value ~2.005 at temperatures 30K and above, as shown in Fig. 2. We associate this signal to the presence of silicon dangling bonds based on the g-value. We also observed an EDMR signal at g-value ~1.998 at temperature ~5K. The origin of this signal is still being investigated. Thus, we show the proof of concept of minicells and EDMR measurements with which we now aim to study some of the unknown defects in silicon solar cell devices.
In this study, an ultrasonic guided wave scan system was used to characterize various microstructural and flaw conditions in two types of ceramic matrix composites, SiC/SiC and C/SiC. Rather than attempting to isolate specific lamb wave modes to use for characterization (as is desired for many types of guided wave inspection problems), the guided wave scan system utilizes the total (multi-mode) ultrasonic response in its inspection analysis. Several time and frequency-domain parameters are calculated from the ultrasonic guided wave signal at each scan location to form images. Microstructural and defect conditions examined include delamination, density variation, cracking, and pre/ post-infiltration. Results are compared with thermographic imaging methods. Although the guided wave technique is commonly used so scanning can be eliminated, applying the technique in the scanning mode allows a more precise characterization of defect conditions.
Leaky Lamb Wave (LLW) propagation in composite materials has been studied extensively since it was first observed in 1982. The wave is induced using a pitch-catch arrangement and the plate wave modes are detected by identifying minima in the reflected spectra to obtain the dispersion data.
The mechanical properties of additive and traditionally manufactured alloys are largely dependent on the characteristics and distribution of dislocation cell networks that develop during the fabrication process. This work demonstrates the ability to quantitatively characterize these dislocation structures by high angular resolution electron backscatter diffraction analysis using a direct electron detector. The defect structures are characterized in terms of the geometrically necessary dislocation density and the associated Burgers vector and line direction. Furthermore, the results are discussed in terms of potential defect formation mechanisms.
The native defect-related optical properties of ZnGeP2 are studied by steady-state and time-resolved photoluminescence. ZnGeP2 crystals grown from the vapor phase by high pressure physical vapor transport (HPVT) and from the melt by gradient freezing (GF) show a broad infrared emission with peak position at 1.2 eV with a decay time constant of a few micro-s and a faster recombination center peaked at 1.68 eV. The decay transient for the emission at 1.2 eV exhibits features of classical donor-acceptor recombination and is linked to close-pairs that are tentatively associated with germanium-on-zinc antisite donors and zinc vacancy acceptors. Higher energetic luminescence structures at 1.6eV and 1.7eV are revealed after annealing of the ZnGeP2 crystals and are associated with the formation zinc and phosphorous vacancies in the near surface region. ZnGeP2 crystals grown by HPVT from zinc and phosphorus supersaturated vapor compositions show additional emission structure at 1.8 eV and a sharp donor-acceptor emission at 1.778 eV that is related to the presence of additional donor states.
The evolution of defects due to high‐pressure annealing of magnesium ion‐implanted epitaxial GaN grown on high‐quality GaN substrates is investigated. Changes in the implant‐induced strain are quantified as a function of annealing temperature and time. After annealing at 1300 °C for 10 min, the implant‐induced strain is fully relieved and accompanied by the presence of extended defects such as basal plane stacking faults and prismatic loops. Approximately one‐third of the original implant‐induced strain remains after annealing at 700 °C, and 5% of the original strain remains at 1000 °C for 100 min. In all cases, nearly all of the recovered strain occurs within first few minutes of annealing. A prominent increase in the asymmetric (104) triple axis X‐ray rocking curve full width at 0.01 maximum (FW0.01M) is observed after annealing at 1300 °C for 10 min. After annealing at 1300 °C for 100 min, a subsequent decrease in FW0.01M is correlated with a reduction of the extended defect density from 4 × 10 8 to 3 × 10 7 cm −2 , determined through transmission electron microscope (TEM) measurements. Further reduction in the density of the extended defects by optimizing annealing temperature and time is expected to improve the performance of GaN‐based vertical power devices.
Abstract Fatigue initiation in additively manufactured samples/parts often occurs at processed-induced defects such as lack-of-fusion (LoF), keyhole, or other morphological/microstructural defects that have unique characteristics and measurable qualities. Attempts at identifying and minimizing such defects have utilized optimized processing conditions along with in situ and ex situ characterization that includes metallography and/or X-ray computed tomography (XCT). This paper highlights the benefits of using fracture surface analyses to detect and quantify defects that may not be detected by metallography/XCT due to sectioning and resolution limits. In addition to using manual quantification of fatigue initiating LoF and keyhole defects on fracture surfaces, image-based machine learning using convolutional neural networks such as U-Net were also used to automate the process. Statistical analyses were used to identify the extreme cases of defects that initiated and accelerated fatigue and to model the distribution of defect size and shape characteristics to distinguish the type of defect. Initial results show agreement between trained machine learning models and ground truth data in defect segmentation, and the distributions of defect characteristics are distinguishable to particular process-induced defect types.
An EBIC study of the cross section of silicon dendritic web ribbon has revealed that recombination-active structural defects are mainly concentrated in the inner part of the ribbon, particularly at and near the twin plane, whereas the material near the surface has significantly fewer defects. An analysis of the distribution of etch pits due to slip dislocations created by shear stress indicates that a minimum in the dislocation density is frequently observed in the ribbon adjacent to the dendrite.
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When this project began, CIGS and ACIGS solar cells were still well below the Shockley-Queisser efficiency limit for their bandgaps. Literature review from showed that JSC and FF were ~90% of the ideal values depending on the growth, but that VOC was only around 75% of the ideal value, which provided a clear objective to improve CIGS VOC. In polycrystalline CIGS, semiconductor defects (traps) have been shown by many studies to have detrimental impacts on device performance. Thus, the goal of this project was to investigate the sources and impacts of defects in CIGS, model their impact on device performance to predict efficiency improvements, and develop effective mitigation strategies to reduce the overall trap concentrations of these traps.
In recent years, short, pulsed laser ablation has been gaining popularity for machining small-scale test geometries from bulk samples and for efficient serial sectioning. These laser-based techniques are being added to the toolbox in material science, which makes it necessary to understand the changes in the material that occur from the laser–material interaction. Positron annihilation spectroscopy is a unique, nondestructive technique to investigate small defects in materials difficult to investigate by other tools. In this work, Doppler broadening and positron lifetime annihilation spectroscopy are utilized to help quantify the damage in materials treated with short, pulsed lasers. Using a femtosecond laser on single crystal silicon, this manuscript shows that clusters of vacancy-like defects and small voids increase systematically with laser power. Lastly, the damage induced by the laser can also reach to micrometer depths.
Advances in the growth processes of 4H-SiC epitaxial layers have led to the continued expansion of epilayer thickness, allowing for the detection of more penetrative radioactive particles. In this work, we report the fabrication and characterization of high-resolution Schottky barrier radiation detectors on 250 μm thick n-type 4H-SiC epitaxial layers, the highest reported thickness to date. Several 8 × 8 mm 2 detectors were fabricated from a diced 100 mm diameter 4H-SiC epitaxial wafer grown on a conductive 4H-SiC substrate with a mean micropipe density of 0.11 cm -2 From the Mott–Schottky plots, the effective doping concentration was found to be in the range (0.95–1.85) × 10 14 cm -3 , implying that full depletion could be achieved at ~5.7 kV (0.5 MV/cm at the interface). The current-voltage characteristics demonstrated consistently low leakage current densities of 1–3 nA/cm 2 at a reverse bias of -800 V. This resulted in the pulse-height spectra generated using a 241Am alpha source (5486 keV) manifesting an energy resolution of less than 0.5% full width at half maximum (FWHM) for all the detectors at -200 V. The charge collection efficiencies (CCEs) were measured to be 98–99% with no discernable correlation to the energy resolution. A drift-diffusion model fit to the variation of CCE as a function of bias voltage, revealed a minority carrier diffusion length of ~10 μm. Deep level transient spectroscopy measurements on the best resolution detector revealed that the excellent performance was the result of having ultralow concentrations of the order of 1011 cm-3 lifetime limiting defects—Z 1/2 and EH 6/7 .
Abstract Raman spectroscopy is one of the most useful techniques for studying the structure of UO 2 and changes due to specific defects caused by doping, changes in stoichiometry, irradiation, or heating under oxidizing conditions. In this paper, we illustrate several aspects of the application of Raman techniques to the study of UO 2 , including the use of wavelength‐dependent excitation (455, 532, and 785 nm) to assess the effects of doping (Nd, Th, and Zr), ion irradiation, and in situ heating and oxidation (UO 2 to U 3 O 8 ). Additionally, we show examples of how correlative microscopy is possible using electron backscatter diffraction combined with Raman maps of specific vibration bands or of laser‐induced luminescence generated by rare‐earth dopants in the matrix. For each of these applications, we suggest optimal excitation wavelengths that vary depending on the desired data. Blue (455 nm) excitation tends to promote oxidation even at low powers, but because Raman spectra change little with doping, irradiation‐induced changes are easier to observe. Green (532 nm) excitation is optimal for observing electron–phonon resonance effects in UO 2 and offers a good compromise for high‐temperature oxidation experiments, delivering high‐quality spectra for both UO 2 and U 3 O 8 . Infrared (785 nm) excitation is best for observing “defect” bands associated with doping in UO 2 , as changes with irradiation are small. Raman spectroscopy is particularly suited for studying the stability of UO 2 towards oxidation in the presence of dopants simulating fission products, where electron–phonon resonant effects, dopant ion luminescence, and mapping can be used together to investigate structural rearrangement as a function of temperature. These techniques can offer insight into microstructural changes in UO 2 fuels at higher burnups envisioned in future reactors.
Silicon carbide (SiC) divacancies are attractive candidates for spin-defect qubits possessing long coherence times and optical addressability. The high activation barriers associated with SiC defect formation and motion pose challenges for their study by first-principles molecular dynamics. In this work, we develop and deploy machine learning interatomic potentials (MLIPs) to accelerate defect dynamics simulations while retaining ab initio accuracy. We employ an active learning strategy comprising symmetry-adapted collective variable discovery and enhanced sampling to compile configurationally diverse training data, calculation of energies and forces using density functional theory (DFT), and training of an E(3)-equivariant MLIP based on the Allegro model. Here, the trained MLIP reproduces DFT-level accuracy in defect transition activation free energy barriers, enables the efficient and stable simulation of multidefect 216-atom supercells, and permits an analysis of the temperature dependence of defect thermodynamic stability and formation/annihilation kinetics to propose an optimal annealing temperature to maximally stabilize VV divacancies.
Abstract not provided.