Effect of 50 Mev electrons of the ultimate Fermi level in germanium.
Fermi level in n- and p-type Ge after irradiation by 50 Mev electrons determined by temperature dependence of carrier concentration
Bohlke, W. H.↗
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The self-consistent calculation of pseudo-molecule energy levels, construction of energy level correlation diagrams and an automated computation system for SCF-X(Alpha)-SW calculations
The self consistent calculation of the electronic energy levels of noble gas pseudomolecules formed when a metal surface is bombarded by noble gas ions is discussed along with the construction of energy level correlation diagrams as a function of interatomic spacing. The self consistent field x alpha scattered wave (SCF-Xalpha-SW) method is utilized. Preliminary results on the Ne-Mg system are given. An interactive x alpha programming system, implemented on the LeRC IBM 370 computer, is described in detail. This automated system makes use of special PROCDEFS (procedure definitions) to minimize the data to be entered manually at a remote terminal. Listings of the special PROCDEFS and of typical input data are given.
Schlosser, H.↗
The spectrum of cosmic electrons with energies between 6 and 100 GeV
Results are presented for an experimental determination of the spectrum of cosmic electrons with energies between 6 and 100 GeV. The balloon-borne hodoscope and detector are described, and separation of cosmic electrons from the nuclear background is outlined. The spectra of cosmic primary and ground-level secondary electrons are discussed, and the spectral intensities of both types of particles are found to have separate power-law dependences on the electron energy. On the basis of the steepness of the spectrum of cosmic electrons relative to that of nuclei, it is concluded that either the injection spectrum of electrons is steeper than that of nuclei, or the electron spectrum is steepened by Compton/synchotron losses in the examined energy range.
Meegan, C. A.↗
Strong effect of scandium source purity on chemical and electronic properties of epitaxial Sc x Al 1–x N/GaN heterostructures
Epitaxial multilayer heterostructures of Sc x Al 1–x N/GaN with Sc contents x = 0.11–0.45 are found to exhibit significant differences in structural quality, chemical impurity levels, and electronic properties depending on the starting Sc source impurity levels. A higher purity source leads to a 2–3 orders of magnitude reduction in the carbon, oxygen, and fluorine unintentional doping densities in MBE-grown Sc x Al 1–x N/GaN multilayers. Electrical measurements of Sc x Al 1–x N/n + GaN single heterostructure barriers show a 5–7 orders of magnitude reduction in the electrical leakage for films grown with a higher purity Sc source at most Sc contents. The measured chemical and electrical properties of epitaxial Sc x Al 1–x N highlight the importance of the starting Sc source material purity for epitaxial device applications that need these highly piezoelectric and/or ferroelectric transition-metal nitride alloys.
36 MATERIALS SCIENCE↗
Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides
The ability to predict the likelihood of impurity incorporation and their electronic energy levels in semiconductors is crucial for controlling its conductivity, and thus the semiconductor's performance in solar cells, photodiodes, and optoelectronics. The difficulty and expense of experimental and computational determination of impurity levels makes a data-driven machine learning approach appropriate. In this work, we show that a density functional theory-generated dataset of impurities in Cd-based chalcogenides CdTe, CdSe, and CdS can lead to accurate and generalizable predictive models of defect properties. By converting any semiconductor + impurity system into a set of numerical descriptors, regression models are developed for the impurity formation enthalpy and charge transition levels. These regression models can subsequently predict impurity properties in mixed anion CdX compounds (where X is a combination of Te, Se and S) fairly accurately, proving that although trained only on the end points, they are applicable to intermediate compositions. We make machine-learned predictions of the Fermi-level-dependent formation energies of hundreds of possible impurities in 5 chalcogenide compounds, and we suggest a list of impurities which can shift the equilibrium Fermi level in the semiconductor as determined by the dominant intrinsic defects. Machine learning predictions for the dominating impurities compare well with DFT predictions, revealing the power of machine-learned models in the quick screening of impurities likely to affect the optoelectronic behavior of semiconductors.
36 MATERIALS SCIENCE↗
Metallic line defect in wide-bandgap transparent perovskite BaSnO 3
A line defect with metallic characteristics has been found in optically transparent BaSnO 3 perovskite thin films. The distinct atomic structure of the defect core, composed of Sn and O atoms, was visualized by atomic-resolution scanning transmission electron microscopy (STEM). When doped with La, dopants that replace Ba atoms preferentially segregate to specific crystallographic sites adjacent to the line defect. The electronic structure of the line defect probed in STEM with electron energy-loss spectroscopy was supported by ab initio theory, which indicates the presence of Fermi level–crossing electronic bands that originate from defect core atoms. These metallic line defects also act as electron sinks attracting additional negative charges in these wide-bandgap BaSnO 3 films.
36 MATERIALS SCIENCE↗
Techno-economic Analysis of Novel PV Plant Designs for Extreme Cost Reductions
A techno-economic analysis is underway examining the cost and performance of future large-scale photovoltaic (PV) plant components, including bifacial modules, tandem modules, increased plant voltage architectures, and module-level power electronics. Integration of these components into PV plant designs is compared with current PV technologies based on levelized cost of electricity (LCOE). Baseline models are developed and validated against recorded PV plant performance data. Expected cost and performance data of future PV technologies are incorporated into the baseline models. An evolutionary algorithm is utilized to optimize PV plant configuration, technology combination, and LCOE. This paper focuses on the bifacial module analysis.
14 SOLAR ENERGY↗
New Polarizability Functions for Calculating Atomic Hydrogen S State Spectral Lines in Exact Agreement with NIST Measurements
This paper presents a new approach to calculating atomic hydrogen energy levels which is simple, fast and accurate. One advantage of this new approach is the ability to explicitly incorporate the polarizability resulting from a scattering event between a hydrogen atom and a photon. The polarizability effect is small but significant, producing exact S state spectral energies. The general calculational approach is applicable to both atomic hydrogen and multi-electron energy levels. Although motivated by the multi-electron case for chemistry applications, the focus of this paper will be calculations that are specific to atomic hydrogen which include the polarizability.
74 ATOMIC AND MOLECULAR PHYSICS↗
A Reliable, Cost-Effective Transformerless Medium-Voltage Inverter for Grid Integration of Combined Solar and Energy Storage
The goal of this project is to utilize an innovative holistic power electronic inverter design approach, which can leverage best-in-class silicon carbide (SiC) power modules, novel multi-level power electronic circuits, high frequency transformers, switching sequence based control and co-designed electro-thermal management methods, to realize a 300 kW transformerless medium-voltage (MV) inverter system. The system cost of the inverter is considered as a primary design objective alongside high power density, efficiency, low electromagnetic interference (EMI) and long lifespan. This design-oriented research activity, especially the proposed multi-objective optimization approach, will have broad impacts in holistic power electronic system design methods and in technologies that can be commercialized into a wide variety of wide bandgap power electronic applications.
14 SOLAR ENERGY↗
Polymerized small molecular acceptor based all-polymer solar cells with an efficiency of 16.16% via tuning polymer blend morphology by molecular design
All-polymer solar cells (all-PSCs) based on polymerized small molecular acceptors (PSMAs) have made significant progress recently. Here, we synthesize two A-DA’D-A small molecule acceptor based PSMAs of PS-Se with benzo[c][1,2,5]thiadiazole A’-core and PN-Se with benzotriazole A’-core, for the studies of the effect of molecular structure on the photovoltaic performance of the PSMAs. The two PSMAs possess broad absorption with PN-Se showing more red-shifted absorption than PS-Se and suitable electronic energy levels for the application as polymer acceptors in the all-PSCs with PBDB-T as polymer donor. Cryogenic transmission electron microscopy visualizes the aggregation behavior of the PBDB-T donor and the PSMA in their solutions. In addition, a bicontinuous-interpenetrating network in the PBDB-T:PN-Se blend film with aggregation size of 10~20 nm is clearly observed by the photoinduced force microscopy. The desirable morphology of the PBDB-T:PN-Se active layer leads its all-PSC showing higher power conversion efficiency of 16.16%.
14 SOLAR ENERGY↗
Strategies to overcome electron-beam issues in liquid phase TEM: Study of chemical processes
Abstract Liquid phase (or liquid cell) transmission electron microscopy (TEM) has become a powerful platform for in situ investigation of various chemical processes at the nanometer or atomic level. The electron beam for imaging can also induce perturbation to the chemical processes. Thus, it has been a concern that the observed phenomena in a liquid cell could deviate from the real-world processes. Strategies have been developed to overcome the electron-beam-induced issues. This article provides an overview of the electron-beam effects, and discusses various strategies in liquid cell TEM study of nucleation, growth, and self-assembly of nanoscale materials, where an electron beam is often used to initiate the reactions, and highly electron-beam-sensitive electrochemical reactions. Graphical abstract
Zheng, Wenjing↗
Semiconductor superlattice photodetectors
Technical progress made in the study of superlattice photoconductors is summarized and papers submitted for publication are listed. Since the quantum-well regions may contain several subbands, each of which may be occupied by electrons depending on the doping concentrations, it is important to include the multi-subbands in calculating the impact ionization rate. The electrons occupying the higher subbands require a smaller amount of energy to get out of the quantum well; thus, those higher level subband electrons contribute significantly to the impact ionization rate. The results of the subbands have been calculated. Results concerning the nonparabolicity effect of the band structure, the effect of the quantum-well size, and the effect of the band-edge discontinuity and doping are also summarized.
Chuang, S. L.↗
Self-consistent Non-LTE Model of Infrared Molecular Emissions and Oxygen Dayglows in the Mesosphere and Lower Thermosphere
We present the new version of the ALI-ARMS (for Accelerated Lambda Iterations for Atmospheric Radiation and Molecular Spectra) model. The model allows simultaneous self-consistent calculating the non-LTE populations of the electronic-vibrational levels of the O3 and O2 photolysis products and vibrational level populations of CO2, N2,O2, O3, H2O, CO and other molecules with detailed accounting for the variety of the electronic-vibrational, vibrational-vibrational and vibrational-translational energy exchange processes. The model was used as the reference one for modeling the O2 dayglows and infrared molecular emissions for self-consistent diagnostics of the multi-channel space observations of MLT in the SABER experiment It also allows reevaluating the thermalization efficiency of the absorbed solar ultraviolet energy and infrared radiative cooling/heating of MLT by detailed accounting of the electronic-vibrational relaxation of excited photolysis products via the complex chain of collisional energy conversion processes down to the vibrational energy of optically active trace gas molecules.
Feofilov, Artem G.↗
Comparison of time-resolved photoluminescence and deep-level transient spectroscopy defect evaluations in an InAs nBn detector subjected to in situ and ex situ 63 MeV proton irradiation
Deep-level transient spectroscopy and temperature-dependent time-resolved photoluminescence experiments are performed on identical InAs nBn photodetector structures as a function of in situ and ex situ 63 MeV proton irradiation to assess their generation and recombination dynamics. Pre-irradiation, the n-type InAs absorbing region, exhibits a steadily increasing minority carrier lifetime with increasing temperature, providing evidence that excited minority carriers may be recombining via shallow defect levels. From deep-level transient spectroscopy, two features are found between 10 and 275 K: a low temperature broad “shoulder,” which suggests emission from multiple shallow electron defect levels with energies <29 meV and a high temperature minimum occurring at ∼230 K with an activation energy of 539 meV, which suggests a defect in the barrier layer in the device. Two similar nBn detectors are then subjected to 63 MeV proton irradiation in step doses and measured between steps. One experiment is performed in situ with an nBn held at ∼10 K during dosing, and the other experiment is performed ex situ with a similar nBn held at room temperature for dosing. The ex situ dosing results in an evaluation of the defect introduction rate that is three to four times lower than in situ due to partial annealing of the proton-induced displacement damage at room temperature. The results of these two experiments are then compared with the dose-dependent recombination rate analysis, resulting in an estimated recombination defect cross section of 1.6 × 10 −13 cm 2 for the shallow shoulder defect.
Carrasco, Rigo A. [Air Force Research Laboratory (↗
Fluence Uniformity Measurements in an Electron Accelerator Used for Irradiation of Extended Area Solar Cells and Electronic Circuits for Space Applications
It is common to have liquid crystal displays and electronic circuit boards with area sizes of the order of 20x20 sq cm on board of satellites and space vehicles. Usually irradiating them at different fluence values assesses the radiation damage in these types of devices. As a result, there is a need for a radiation source with large spatial fluence uniformity for the study of the damage by radiation from space in those devices. Kent State University s Program on Electron Beam Technology has access to an electron accelerator used for both research and industrial applications. The electron accelerator produces electrons with energies in the interval from 1 to 5 MeV and a maximum beam power of 150 kW. At such high power levels, the electron beam is continuously scanned back and forth in one dimension in order to provide uniform irradiation and to prevent damage to the sample. This allows for the uniform irradiation of samples with an area of up to 1.32 sq m. This accelerator has been used in the past for the study of radiation damage in solar cells (1). However in order to irradiate extended area solar cells there was a need to measure the uniformity of the irradiation zone in terms of fluence. In this paper the methodology to measure the fluence uniformity on a sample handling system (linear motion system), used for the irradiation of research samples, along the irradiation zone of the above-mentioned facility is described and the results presented. We also illustrate the use of the electron accelerator for the irradiation of large area solar cells (of the order of 156 sq cm) and include in this paper the electrical characterization of these types of solar cells irradiated with 5 MeV electrons to a total fluence of 2.6 x 10(exp 15) e/sq cm.
Uribe, Roberto M.↗
Interplay of structural fluctuations and charge carrier dynamics is key for high performance of hybrid lead halide perovskites
The ability of methylammonium lead triiodide (MAPbI 3 ) to achieve photoelectric conversion efficiency that is on par with crystalline silicon has led to a surge of interest in perovskite photovoltaics. However, an in-depth understanding of how the ubiquitous coupling between the fast rovibrational movements of the organic cations and the phonon vibrations of the inorganic framework affects the relaxation and recombination of hot carriers remains largely elusive. Access to such knowledge is critical to guide design and increase efficiency of new classes of perovskite solar cells. In this report, we report a time-domain ab initio investigation of temperature dependent excited state dynamics in MAPbI 3 , with particular emphasis on nuclear anharmonic effects. The observed strong anharmonicity is attributed to softness of the material and unusual dynamical coupling between the organic and inorganic components. At an elevated temperature, the hydrogen bonding between MA and iodines is weakened, enhancing rotation of MA cations, which become more dynamically disordered. As a result, thermal vibrations of the inorganic Pb–I sublattice are suppressed, and the lattice anharmonicity is decreased. Thermal fluctuations of the electronic energy levels are found to follow the trend of anharmonic motions of Pb and I atoms, with holes relaxing faster to the band edges than electrons, due to higher density of the hole states. While elevated temperature accelerates intraband carrier cooling, it slows nonradiative carrier recombination. The latter result is important for performance, since solar cells and other devices heat up during operation. The reported signatures of coupled structural dynamics of the organic cations and inorganic framework unravel the interplay between anomalous structural fluctuations and charge carrier dynamics, which is of particular importance for fundamental understanding of the structure–property relationships in hybrid metal halide perovskites.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Electrokinetic Analysis of Poorly Conductive Electrocatalytic Materials
While many factors can influence the activity of the electrochemical interface at atomic and molecular levels, the electron and ion transport have a big impact on the overall electrochemical performance. Here, we investigate how electrical resistance (conductivity) of the electrode affects the measured electrocatalytic activity using the hydrogen evolution reaction as a model reaction. We clearly demonstrate the effect of the poor electronic conductivity of MoS 2 on the electrochemical performance, as both values of the exchange current density as well as the Tafel slope depend on the level of utilization of the active material and the ohmic losses. A quantitative analysis using the composite electrode model is provided, showing the importance of the experimental conditions and good control of electrode/electrolyte system for the proper evaluation and comparison of electrocatalysts’ kinetic parameters.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Evaporated and recrystallized CdS layers.
Evaporated and recrystallized CdS layers, discussing electron mobility, level distribution, capture cross section and techniques of measurement
ELECTRON DISTRIBUTION↗