Wide bandgap (WBG) semiconductors GaN (3.4 eV), Ga2O3 (4.8 eV) and AlN (6.2 eV), have gained considerable interests for energy-efficient optoelectronic and electronic applications in solid-state lighting, photovoltaics, power conversion, and so on. They can offer unique device performance compared with traditional semiconductors such as Si. Efficient GaN based light-emitting diodes (LEDs) have increasingly displaced incandescent and fluorescent bulbs as the new major light sources for lighting and display. In addition, due to their large bandgap and high critical electrical field, WBG semiconductors are also ideal candidates for efficient power conversion.

In this dissertation, two types of devices are demonstrated: optoelectronic and electronic devices. Commercial polar c-plane LEDs suffer from reduced efficiency with increasing current densities, knowns as “efficiency droop”, while nonpolar/semipolar LEDs exhibit a very low efficiency droop. A modified ABC model with weak phase space filling effects is proposed to explain the low droop performance, providing insights for designing droop-free LEDs. The other emerging optoelectronics is nonpolar/semipolar III-nitride intersubband transition (ISBT) based photodetectors in terahertz and far infrared regime due to the large optical phonon energy and band offset, and the potential of room-temperature operation. ISBT properties are systematically studied for devices with different structures parameters.

In terms of electronic devices, vertical GaN p-n diodes and Schottky barrier diodes (SBDs) with high breakdown voltages are homoepitaxially grown on GaN bulk substrates with much reduced defect densities and improved device performance. The advantages of the vertical structure over the lateral structure are multifold: smaller chip area, larger current, less sensitivity to surface states, better scalability, and smaller current dispersion. Three methods are proposed to boost the device performances: thick buffer layer design, hydrogen-plasma based edge termination technique, and multiple drift layer design. In addition, newly emerged Ga2O3 and AlN power electronics may outperform GaN devices. Because of the highly anisotropic crystal structure of Ga2O3, anisotropic electrical properties have been observed in Ga2O3 electronics. The first 1-kV-class AlN SBDs are demonstrated on cost-effective sapphire substrates. Several future topics are also proposed including selective-area doping in GaN power devices, vertical AlN power devices, and (Al,Ga,In)2O3 materials and devices.

The objective of this thesis is to achieve a detailed understanding of the loss mechanisms in SHJ solar cells. The working principles of these cells and what affects the cell operation, e.g. the IV characteristics at the maximum power point (MPP) and the correspondingly ll factor (FF) are investigated. Dierent loss sources are analyzed separately, and the weight of each in the total loss at the MPP are evaluated. The total series resistance is measured and then compared with the value obtained through summation over each of its components. In other words, series resistance losses due to recombination, vertical and lateral carrier transport, metalization, etc, are individually evaluated, and then by adding all these components together, the total loss is calculated. The concept of ll factor and its direct dependence on the loss mechanisms at the MPP of the device is explained, and its sensitivity to nearly every processing step of the cell fabrication is investigated. This analysis provides a focus lens to identify the main source of losses in SHJ solar cells and pave the path for further improvements in cell efficiency.

In this thesis, we provide a detailed understanding of the FF concept; we explain how it can be directly measured; how it can be calculated and what expressions can better approximate its value and under what operating conditions. The relation between FF and cell operating condition at the MPP is investigated. We separately analyzed the main FF sources of losses including recombination, sheet resistance, contact resistance and metalization. We study FF loss due to recombination and its separate components which include the Augur, radiative and SRH recombination is investigated. We study FF loss due to contact resistance and its separate components which include the contact resistance of dierent interfaces, e.g. between the intrinsic and doped a-Si layers, TCO and a-Si layers. We also study FF loss due to lateral transport and its components that including the TCO sheet resistance, the nger and the busbars resistances.

Achieving high efficiency in solar cells requires optimal photovoltaics materials for light absorption and as with any electrical device—high-quality contacts. Essentially, the contacts separate the charge carriers—holes at one terminal and electrons at the other—extracting them to an external circuit. For this purpose, the development of passivating and carrier-selective contacts that enable low interface defect density and efficient carrier transport is critical for making high-efficiency solar cells. The recent record-efficiency n-type silicon cells with hydrogenated amorphous silicon (a-Si:H) contacts have demonstrated the usefulness of passivating and carrier-selective contacts. However, the use of a-Si:H contacts should not be limited in just n-type silicon cells.

In the present work, a-Si:H contacts for crystalline silicon and cadmium telluride (CdTe) solar cells are developed. First, hydrogen-plasma-processsed a-Si:H contacts are used in n-type Czochralski silicon cell fabrication. Hydrogen plasma treatment is used to increase the Si-H bond density of a-Si:H films and decrease the dangling bond density at the interface, which leads to better interface passivation and device performance, and wider temperature-processing window of n-type silicon cells under full spectrum (300–1200 nm) illumination. In addition, thickness-varied a-Si:H contacts are studied for n-type silicon cells under the infrared spectrum (700–1200 nm) illumination, which are prepared for silicon-based tandem applications.

Second, the a-Si:H contacts are applied to commercial-grade p-type silicon cells, which have much lower bulk carrier lifetimes than the n-type silicon cells. The approach is using gettering and bulk hydrogenation to improve the p-type silicon bulk quality, and then applying a-Si:H contacts to enable excellent surface passivation and carrier transport. This leads to an open-circuit voltage of 707 mV in p-type Czochralski silicon cells, and of 702 mV, the world-record open-circuit voltage in p-type multi-crystalline silicon cells.

Finally, CdTe cells with p-type a-Si:H hole-selective contacts are studied. As a proof of concept, p-type a-Si:H contacts enable achieving the highest reported open-circuit voltages (1.1 V) in mono-crystalline CdTe devices. A comparative study of applying p-type a-Si:H contacts in poly-crystalline CdTe solar cells is performed, resulting in absolute voltage gain of 53 mV over using the standard tellurium contacts.

Solar panels need to be both cost effective and environmentally friendly to compete with traditional energy forms. Photovoltaic recycling has the potential to mitigate the harm of waste, which is often landfilled, while putting material back into the manufacturing process. Out of many, three methods show much promise: Full Recovery End-of-Life Photovoltaic (FRELP), mechanical, and sintering-based recycling. FRELP recycling has quickly gained prominence in Europe and promises to fully recover the components in a solar cell. The mechanical method has produced high yields of valuable materials using basic and inexpensive processes. The sintering method has the potential to tap into a large market for feldspar. Using a levelized cost of electricity (LCOE) analysis, the three methods could be compared on an economic basis. This showed that the mechanical method is least expensive, and the sintering method is the most expensive. Using this model, all recycling methods are less cost effective than the control analysis without recycling. Sensitivity analyses were then done on the effect of the discount rate, capacity factor, and lifespan on the LCOE. These results showed that the change in capacity factor had the most significant effect on the levelized cost of electricity. A final sensitivity analysis was done based on the decreased installation and balance of systems costs in 2025. With a 55% decrease in these costs, the LCOE decreased by close to $0.03/kWh for each method. Based on these results, the cost of each recycling method would be a more considerable proportion of the overall LCOE of the solar farm.

Within the context of the Finite-Difference Time-Domain (FDTD) method of simulating interactions between electromagnetic waves and matter, we adapt a known absorbing boundary condition, the Convolutional Perfectly-Matched Layer (CPML) to a background of Drude-dispersive medium. The purpose of this CPML is to terminate the virtual grid of scattering simulations by absorbing all outgoing radiation. In this thesis, we exposit the method of simulation, establish the Perfectly-Matched Layer as a domain which houses a spatial-coordinate transform to the complex plane, construct the CPML in vacuum, adapt the CPML to the Drude medium, and conclude with tests of the adapted CPML for two different scattering geometries.

Scaling of the Metal-Oxide-Semiconductor Field Effect Transistor (MOSFET) towards shorter channel lengths, has lead to an increasing importance of quantum effects on the device performance. Until now, a semi-classical model based on Monte Carlo method for instance, has been sufficient to address these issues in silicon, and arrive at a reasonably good fit to experimental mobility data. But as the semiconductor world moves towards 10nm technology, many of the basic assumptions in this method, namely the very fundamental Fermi’s golden rule come into question. The derivation of the Fermi’s golden rule assumes that the scattering is infrequent (therefore the long time limit) and the collision duration time is zero. This thesis overcomes some of the limitations of the above approach by successfully developing a quantum mechanical simulator that can model the low-field inversion layer mobility in silicon MOS capacitors and other inversion layers as well. It solves for the scattering induced collisional broadening of the states by accounting for the various scattering mechanisms present in silicon through the non-equilibrium based near-equilibrium Green’s Functions approach, which shall be referred to as near-equilibrium Green’s Function (nEGF) in this work. It adopts a two-loop approach, where the outer loop solves for the self-consistency between the potential and the subband sheet charge density by solving the Poisson and the Schrödinger equations self-consistently. The inner loop solves for the nEGF (renormalization of the spectrum and the broadening of the states), self-consistently using the self-consistent Born approximation, which is then used to compute the mobility using the Green-Kubo Formalism.

Thin-film modules of all technologies often suffer from performance degradation over time. Some of the performance changes are reversible and some are not, which makes deployment, testing, and energy-yield prediction more challenging. The most commonly alleged causes of instability in CdTe device, such as “migration of Cu,” have been investigated rigorously over the past fifteen years. As all defects, intrinsic or extrinsic, interact with the electrical potential and free carriers so that charged defects may drift in the electric field and changing ionization state with excess free carriers. Such complexity of interactions in CdTe makes understanding of temporal changes in device performance even more challenging. The goal of the work in this dissertation is, thus, to eliminate the ambiguity between the observed performance changes under stress and their physical root cause by enabling a depth of modeling that takes account of diffusion and drift at the atomistic level coupled to the electronic subsystem responsible for a PV device’s function. The 1D Unified Solver, developed as part of this effort, enables us to analyze PV devices at a greater depth.

In this dissertation, the implementation of a drift-diffusion model defect migration simulator, development of an implicit reaction scheme for total mass conservation, and a couple of other numerical schemes to improve the overall flexibility and robustness of this coupled Unified Solver is discussed. Preliminary results on Cu (with or without Cl-treatment) annealing simulations in both single-crystal CdTe wafer and poly-crystalline CdTe devices show promising agreement to experimental findings, providing a new perspective in the research of improving doping concentration hence the open-circuit voltage of CdTe technology. Furthermore, on the reliability side, in agreement of previous experimental reports, simulation results suggest possibility of Cu depletion in short-circuited cells stressed at elevated temperature. The developed solver also successfully demonstrated that mobile donor migration can be used to explain solar cell performance changes under different stress conditions.

Amorphous materials can be uniformly deposited over a large area at lower cost compared to crystalline semiconductors (Silicon or Germanium). This property along with its high resistivity and wide band-gap found many applications in devices like rectifiers, xerography, xero-radiography, ultrahigh sensitivity optical cameras, digital radiography, and mammography (2D and 3D tomosynthesis). Amorphous selenium is the only amorphous material that undergoes impact ionization where only holes avalanche at high electric fields. This leads to a small excess noise factor which is a very important performance comparison matrix for avalanche photodetectors. Thus, there is a need to model high field avalanche process in amorphous selenium. At high fields, the transport in amorphous selenium changes from low values of activated trap-limited drift mobility to higher values of band transport mobility, via extended states. When the transport shifts from activated mobility with a high degree of localization to extended state band transport, the wavefunction of the amorphous material resembles that of its crystalline counterpart. To that effect, crystalline monoclinic selenium which has the closest resemblance to vapor deposited amorphous selenium has been studied. Modelling a crystalline semiconductor makes calculations simpler. The transport phenomena in crystalline monoclinic selenium is studied by using a bulk Monte Carlo technique to solve the semi-classical Boltzman Transport equation and thus calculate vital electrical parameters like mobility, critical field and mobility variations against temperatures. The band structure and the density of states function for monoclinic selenium was obtained by using an atomistic simulation tool, the Atomistic Toolkit in the Virtual Nano Lab, Quantum Wise, Copenhagen, Denmark. Moreover, the velocity and energy against time characteristics have been simulated for a wide range of electric fields (1-1000 $\frac{kV}{cm}$), which is further used to find the hole drift mobility. The low field mobility is obtained from the slope of the velocity vs. electric field plot. The low field hole mobility was calculated to be 5.51 $\frac{cm^{2}}{Vs}$ at room temperature. The experimental value for low field hole mobility is 7.29 $\frac{cm^{2}}{Vs}$. The energy versus electric field simulation at high fields is used to match the experimental onset of avalanche (754 $\frac{kV}{cm}$) for an ionization threshold energy of 2.1 eV. The Arrhenius plot for mobility against temperature is simulated and compared with published experimental data. The experimental and simulation results show a close match, thus validating the study.

In recent years, there has been increased interest in the Indium Gallium Nitride (InGaN) material system for photovoltaic (PV) applications. The InGaN alloy system has demonstrated high performance for high frequency power devices, as well as for optical light emitters. This material system is also promising for photovoltaic applications due to broad range of bandgaps of InxGa1-xN alloys from 0.65 eV (InN) to 3.42 eV (GaN), which covers most of the electromagnetic spectrum from ultraviolet to infrared wavelengths. InGaN’s high absorption coefficient, radiation resistance and thermal stability (operating with temperature > 450 ℃) makes it a suitable PV candidate for hybrid concentrating solar thermal systems as well as other high temperature applications. This work proposed a high efficiency InGaN-based 2J tandem cell for high temperature (450 ℃) and concentration (200 X) hybrid concentrated solar thermal (CSP) application via numerical simulation. In order to address the polarization and band-offset issues for GaN/InGaN hetero-solar cells, band-engineering techniques are adopted and a simple interlayer is proposed at the hetero-interface rather than an Indium composition grading layer which is not practical in fabrication. The base absorber thickness and doping has been optimized for 1J cell performance and current matching has been achieved for 2J tandem cell design. The simulations also suggest that the issue of crystalline quality (i.e. short SRH lifetime) of the nitride material system to date is a crucial factor limiting the performance of the designed 2J cell at high temperature. Three pathways to achieve ~25% efficiency have been proposed under 450 ℃ and 200 X. An anti-reflection coating (ARC) for the InGaN solar cell optical management has been designed. Finally, effective mobility model for quantum well solar cells has been developed for efficient quasi-bulk simulation.

Semiconductor nanowires have the potential to emerge as the building blocks of next generation field-effect transistors, logic gates, solar cells and light emitting diodes. Use of Gallium Nitride (GaN) and other wide bandgap materials combines the advantages of III-nitrides along with the enhanced mobility offered by 2-dimensional confinement present in nanowires. The focus of this thesis is on developing a low field mobility model for a GaN nanowire using Ensemble Monte Carlo (EMC) techniques. A 2D Schrödinger-Poisson solver and a one-dimensional Monte Carlo solver is developed for an Aluminum Gallium Nitride/Gallium Nitride Heterostructure nanowire. A GaN/AlN/AlGaN heterostructure device is designed which creates 2-dimensional potential well for electrons. The nanowire is treated as a quasi-1D system in this work. A self-consistent 2D Schrödinger-Poisson solver is designed which determines the subband energies and the corresponding wavefunctions of the confined system. Three scattering mechanisms: acoustic phonon scattering, polar optical phonon scattering and piezoelectric scattering are considered to account for the electron phonon interactions in the system. Overlap integrals and 1D scattering rate expressions are derived for all the mechanisms listed. A generic one-dimensional Monte Carlo solver is also developed. Steady state results from the 1D Monte Carlo solver are extracted to determine the low field mobility of the GaN nanowires.