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Description
Carrier lifetime is one of the few parameters which can give information about the low defect densities in today's semiconductors. In principle there is no lower limit to the defect density determined by lifetime measurements. No other technique can easily detect defect densities as low as 10-9 - 10-10 cm-3 in a simple, contactless room temperature measurement. However in practice, recombination lifetime τr measurements such as photoconductance decay (PCD) and surface photovoltage (SPV) that are widely used for characterization of bulk wafers face serious limitations when applied to thin epitaxial layers, where the layer thickness is smaller than the minority carrier diffusion length Ln. Other methods such as microwave photoconductance decay (µ-PCD), photoluminescence (PL), and frequency-dependent SPV, where the generated excess carriers are confined to the epitaxial layer width by using short excitation wavelengths, require complicated configuration and extensive surface passivation processes that make them time-consuming and not suitable for process screening purposes. Generation lifetime τg, typically measured with pulsed MOS capacitors (MOS-C) as test structures, has been shown to be an eminently suitable technique for characterization of thin epitaxial layers. It is for these reasons that the IC community, largely concerned with unipolar MOS devices, uses lifetime measurements as a "process cleanliness monitor." However when dealing with ultraclean epitaxial wafers, the classic MOS-C technique measures an effective generation lifetime τg eff which is dominated by the surface generation and hence cannot be used for screening impurity densities. I have developed a modified pulsed MOS technique for measuring generation lifetime in ultraclean thin p/p+ epitaxial layers which can be used to detect metallic impurities with densities as low as 10-10 cm-3. The widely used classic version has been shown to be unable to effectively detect such low impurity densities due to the domination of surface generation; whereas, the modified version can be used suitably as a metallic impurity density monitoring tool for such cases.
ContributorsElhami Khorasani, Arash (Author) / Alford, Terry (Thesis advisor) / Goryll, Michael (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2013
Description
In the interest of expediting future pilot line start-ups for solar cell research, the development of Arizona State University's student-led pilot line at the Solar Power Laboratory is discussed extensively within this work. Several experiments and characterization techniques used to formulate and optimize a series of processes for fabricating diffused-junction, screen-printed silicon solar cells are expounded upon. An experiment is conducted in which the thickness of a PECVD deposited anti-reflection coating (ARC) is varied across several samples and modeled as a function of deposition time. Using this statistical model in tandem with reflectance measurements for each sample, the ARC thickness is optimized to increase light trapping in the solar cells. A response surface model (RSM) experiment is conducted in which 3 process parameters are varied on the PECVD tool for the deposition of the ARCs on several samples. A contactless photoconductance decay (PCD) tool is used to measure the dark saturation currents of these samples. A statistical analysis is performed using JMP in which optimum deposition parameters are found. A separate experiment shows an increase in the passivation quality of the a-SiNx:H ARCs deposited on the solar cells made on the line using these optimum parameters. A RSM experiment is used to optimize the printing process for a particular silver paste in a similar fashion, the results of which are confirmed by analyzing the series resistance of subsequent cells fabricated on the line. An in-depth explanation of a more advanced analysis using JMP and PCD measurements on the passivation quality of 3 aluminum back-surface fields (BSF) is given. From this experiment, a comparison of the means is conducted in order to choose the most effective BSF paste for cells fabricated on the line. An experiment is conducted in parallel which confirms the results via Voc measurements. It is shown that in a period of 11 months, the pilot line went from producing a top cell efficiency of 11.5% to 17.6%. Many of these methods used for the development of this pilot line are equally applicable to other cell structures, and can easily be applied to other solar cell pilot lines.
ContributorsPickett, Guy (Author) / Bowden, Stuart (Thesis advisor) / Honsberg, Christiana (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2014
Description
Due to the ever increasing relevance of finer machining control as well as necessary reduction in material waste by large area semiconductor device manufacturers, a novel bulk laser machining method was investigated. Because the cost of silicon and sapphire substrates are limiting to the reduction in cost of devices in both the light emitting diode (LED) and solar industries, and the present substrate wafering process results in >50% waste, the need for an improved ingot wafering technique exists.
The focus of this work is the design and understanding of a novel semiconductor wafering technique that utilizes the nonlinear absorption properties of band-gapped materials to achieve bulk (subsurface) morphological changes in matter using highly focused laser light. A method and tool was designed and developed to form controlled damage regions in the bulk of a crystalline sapphire wafer leaving the surfaces unaltered. The controllability of the subsurface damage geometry was investigated, and the effect of numerical aperture of the focusing optic, energy per pulse, wavelength, and number of pulses was characterized for a nanosecond pulse length variable wavelength Nd:YAG OPO laser.
A novel model was developed to describe the geometry of laser induced morphological changes in the bulk of semiconducting materials for nanosecond pulse lengths. The beam propagation aspect of the model was based on ray-optics, and the full Keldysh multiphoton photoionization theory in conjuncture with Thornber's and Drude's models for impact ionization were used to describe high fluence laser light absorption and carrier generation ultimately resulting in permanent material modification though strong electron-plasma absorption and plasma melting. Although the electron-plasma description of laser damage formation is usually reserved for extremely short laser pulses (<20 ps), this work shows that it can be adapted for longer pulses of up to tens of nanoseconds.
In addition to a model describing damage formation of sub-band gap energy laser light in semiconducting and transparent crystalline dielectrics, a novel nanosecond laser process was successfully realized to generate a thin plane of damage in the bulk of sapphire wafers. This was accomplished using high numerical aperture optics, a variable wavelength nanosecond laser source, and three-dimensional motorized precision stage control.
The focus of this work is the design and understanding of a novel semiconductor wafering technique that utilizes the nonlinear absorption properties of band-gapped materials to achieve bulk (subsurface) morphological changes in matter using highly focused laser light. A method and tool was designed and developed to form controlled damage regions in the bulk of a crystalline sapphire wafer leaving the surfaces unaltered. The controllability of the subsurface damage geometry was investigated, and the effect of numerical aperture of the focusing optic, energy per pulse, wavelength, and number of pulses was characterized for a nanosecond pulse length variable wavelength Nd:YAG OPO laser.
A novel model was developed to describe the geometry of laser induced morphological changes in the bulk of semiconducting materials for nanosecond pulse lengths. The beam propagation aspect of the model was based on ray-optics, and the full Keldysh multiphoton photoionization theory in conjuncture with Thornber's and Drude's models for impact ionization were used to describe high fluence laser light absorption and carrier generation ultimately resulting in permanent material modification though strong electron-plasma absorption and plasma melting. Although the electron-plasma description of laser damage formation is usually reserved for extremely short laser pulses (<20 ps), this work shows that it can be adapted for longer pulses of up to tens of nanoseconds.
In addition to a model describing damage formation of sub-band gap energy laser light in semiconducting and transparent crystalline dielectrics, a novel nanosecond laser process was successfully realized to generate a thin plane of damage in the bulk of sapphire wafers. This was accomplished using high numerical aperture optics, a variable wavelength nanosecond laser source, and three-dimensional motorized precision stage control.
ContributorsLeBeau, James (Author) / Bowden, Stuart (Thesis advisor) / Honsberg, Christiana (Committee member) / Bertoni, Mariana (Committee member) / Cotter, Jeffrey (Committee member) / Arizona State University (Publisher)
Created2015
Description
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.
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.
ContributorsGuo, Da (Author) / Vasileska, Dragica (Thesis advisor) / Sankin, Igor (Committee member) / Goodnick, Stephen (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2017
Fill Factor Loss Mechanisms: Analysis and Basic Understanding in Silicon Hetero-junction Solar Cells
Description
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.
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.
ContributorsLeilaeioun, Mohammadmehdi (Ashling) (Author) / Goodnick, Stephen (Thesis advisor) / Goryll, Michael (Thesis advisor) / Bertoni, Mariana (Committee member) / Bowden, Stuart (Committee member) / Stuckelberger, Michael (Committee member) / Arizona State University (Publisher)
Created2018
Description
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.
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.
ContributorsShi, Jianwei (Author) / Holman, Zachary (Thesis advisor) / Bowden, Stuart (Committee member) / Bertoni, Mariana (Committee member) / Goodnick, Stephen (Committee member) / Arizona State University (Publisher)
Created2018
Description
High photoluminescence (PL) quantum yields reported from amorphous (a-Si) and crystalline (c-Si) nanoparticles have opened up lots of possibilities for use of silicon in optical applications such as light emitting diodes (LEDs), photonics and solar cells with added processing and cost benefits. However, the PL response and the mechanisms behind it are highly dependent on the matrix in which the nanoparticles are grown and on the growth method. While, the bottom-up approach for deposition of free standing nanoparticles seem to be perfectly suited for large area deposition for LED and solar cell applications, the dominant growth techniques (laser ablation and pyrolysis) have been shown to suffer from limitations in control over size distribution of nanoparticles and the requirement of equipment capable of withstanding high temperature. This led to the exploration of plasma based synthesis methods in this work.
Towards this effort, the development and automation of a novel tool “Anny” for synthesis of silicon nanoparticles using non-thermal plasma chamber is reported. These nanoparticles are then accelerated due to choked flow through a nozzle leading to substrate independent deposition. The nanoparticle properties are characterized against precursor gas flow rates and RF power to identify the optimum growth conditions for a stable, continuous deposition. It is found that amorphous nanoparticles offer a wide variety of chamber conditions for growth with a high throughput, stable plasma for continuous, long term operations.
The quantum confinement model for crystalline and spatial confinement models for amorphous nanoparticles in our size regime (6-8nm) are suggested for free standing nanoparticles and we report a high PL output from well passivated amorphous nanoparticles.
The PL output and its dependence on stability of surface hydrogen passivation is explored using Fourier Transform Infrared spectroscopy (FTIR). It is shown that the amorphous nanoparticles have a better and more stable passivation compared to crystalline nanoparticles grown under similar conditions. Hence, we show a-Si nanoparticles as exciting alternatives for optical applications to c-Si nanoparticles.
Towards this effort, the development and automation of a novel tool “Anny” for synthesis of silicon nanoparticles using non-thermal plasma chamber is reported. These nanoparticles are then accelerated due to choked flow through a nozzle leading to substrate independent deposition. The nanoparticle properties are characterized against precursor gas flow rates and RF power to identify the optimum growth conditions for a stable, continuous deposition. It is found that amorphous nanoparticles offer a wide variety of chamber conditions for growth with a high throughput, stable plasma for continuous, long term operations.
The quantum confinement model for crystalline and spatial confinement models for amorphous nanoparticles in our size regime (6-8nm) are suggested for free standing nanoparticles and we report a high PL output from well passivated amorphous nanoparticles.
The PL output and its dependence on stability of surface hydrogen passivation is explored using Fourier Transform Infrared spectroscopy (FTIR). It is shown that the amorphous nanoparticles have a better and more stable passivation compared to crystalline nanoparticles grown under similar conditions. Hence, we show a-Si nanoparticles as exciting alternatives for optical applications to c-Si nanoparticles.
ContributorsGarg, Prateek (Author) / Holman, Zachary C (Thesis advisor) / Zhang, Yong H (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2015
Description
A basic theory and terminology that comprehensively applies to all different types
of contacts in silicon solar cells has, thus far, been elusive. While the well established diode model has been applied to many of the complex contacts, the theory is not adequate to intuitively describe the characteristics of novel contacts. This thesis shows that the many desirable characteristics of contacts that are discussed in the literature—carrier selectivity, passivation, and low majority carrier conductance, key among them—originate from the resistance to electrons and holes in the contact. These principles are applied to describe a few popular contact technologies in order to pave the path to envisioning novel contacts. Metrics for contact performance is introduced to quantify each of the above characteristics using the two carrier resistances. The the validity of the proposed metrics is explored using extensive PC-1D simulations.
of contacts in silicon solar cells has, thus far, been elusive. While the well established diode model has been applied to many of the complex contacts, the theory is not adequate to intuitively describe the characteristics of novel contacts. This thesis shows that the many desirable characteristics of contacts that are discussed in the literature—carrier selectivity, passivation, and low majority carrier conductance, key among them—originate from the resistance to electrons and holes in the contact. These principles are applied to describe a few popular contact technologies in order to pave the path to envisioning novel contacts. Metrics for contact performance is introduced to quantify each of the above characteristics using the two carrier resistances. The the validity of the proposed metrics is explored using extensive PC-1D simulations.
ContributorsKoswatta, Priyaranga L (Author) / Holman, Zachary C (Thesis advisor) / King, Richard (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2016
Description
Layers of intrinsic hydrogenated amorphous silicon and amorphous silicon carbide
were prepared on a polished, intrinsic crystalline silicon substrate via plasma-enhanced chemical vapor deposition to simulate heterojunction device relevant stacks of various materials. The minority carrier lifetime, optical band gap and FTIR spectra were observed at incremental stages of thermal annealing. By observing the changes in the lifetimes the sample structure responsible for the most thermally robust surface passivation could be determined. These results were correlated to the optical band gap and the position and relative area of peaks in the FTIR spectra related to to silicon-hydrogen bonds in the layers. It was found that due to an increased presence of hydrogen bonded to silicon at voids within the passivating layer, hydrogenated amorphous silicon carbide at the interface of the substrate coupled with a hydrogenated amorphous silicon top layer provides better passivation after high temperature annealing than other device structures.
were prepared on a polished, intrinsic crystalline silicon substrate via plasma-enhanced chemical vapor deposition to simulate heterojunction device relevant stacks of various materials. The minority carrier lifetime, optical band gap and FTIR spectra were observed at incremental stages of thermal annealing. By observing the changes in the lifetimes the sample structure responsible for the most thermally robust surface passivation could be determined. These results were correlated to the optical band gap and the position and relative area of peaks in the FTIR spectra related to to silicon-hydrogen bonds in the layers. It was found that due to an increased presence of hydrogen bonded to silicon at voids within the passivating layer, hydrogenated amorphous silicon carbide at the interface of the substrate coupled with a hydrogenated amorphous silicon top layer provides better passivation after high temperature annealing than other device structures.
ContributorsJackson, Alec James (Author) / Holman, Zachary (Thesis advisor) / Bertoni, Mariana (Committee member) / Kozicki, Michael (Committee member) / Arizona State University (Publisher)
Created2016
Description
Semiconductor devices often face reliability issues due to their operational con-
ditions causing performance degradation over time. One of the root causes of such
degradation is due to point defect dynamics and time dependent changes in their
chemical nature. Previously developed Unified Solver was successful in explaining
the copper (Cu) metastability issues in cadmium telluride (CdTe) solar cells. The
point defect formalism employed there could not be extended to chlorine or arsenic
due to numerical instabilities with the dopant chemical reactions. To overcome these
shortcomings, an advanced version of the Unified Solver called PVRD-FASP tool was
developed. This dissertation presents details about PVRD-FASP tool, the theoretical
framework for point defect chemical formalism, challenges faced with numerical al-
gorithms, improvements for the user interface, application and/or validation of the
tool with carefully chosen simulations, and open source availability of the tool for the
scientific community.
Treating point defects and charge carriers on an equal footing in the new formalism
allows to incorporate chemical reaction rate term as generation-recombination(G-R)
term in continuity equation. Due to the stiff differential equations involved, a reaction
solver based on forward Euler method with Newton step is proposed in this work.
The Jacobian required for Newton step is analytically calculated in an elegant way
improving speed, stability and accuracy of the tool. A novel non-linear correction
scheme is proposed and implemented to resolve charge conservation issue.
The proposed formalism is validated in 0-D with time evolution of free carriers
simulation and with doping limits of Cu in CdTe simulation. Excellent agreement of
light JV curves calculated with PVRD-FASP and Silvaco Atlas tool for a 1-D CdTe
solar cell validates reaction formalism and tool accuracy. A closer match with the Cu
SIMS profiles of Cu activated CdTe samples at four different anneal recipes to the
simulation results show practical applicability. A 1D simulation of full stack CdTe
device with Cu activation at 350C 3min anneal recipe and light JV curve simulation
demonstrates the tool capabilities in performing process and device simulations. CdTe
device simulation for understanding differences between traps and recombination
centers in grain boundaries demonstrate 2D capabilities.
ditions causing performance degradation over time. One of the root causes of such
degradation is due to point defect dynamics and time dependent changes in their
chemical nature. Previously developed Unified Solver was successful in explaining
the copper (Cu) metastability issues in cadmium telluride (CdTe) solar cells. The
point defect formalism employed there could not be extended to chlorine or arsenic
due to numerical instabilities with the dopant chemical reactions. To overcome these
shortcomings, an advanced version of the Unified Solver called PVRD-FASP tool was
developed. This dissertation presents details about PVRD-FASP tool, the theoretical
framework for point defect chemical formalism, challenges faced with numerical al-
gorithms, improvements for the user interface, application and/or validation of the
tool with carefully chosen simulations, and open source availability of the tool for the
scientific community.
Treating point defects and charge carriers on an equal footing in the new formalism
allows to incorporate chemical reaction rate term as generation-recombination(G-R)
term in continuity equation. Due to the stiff differential equations involved, a reaction
solver based on forward Euler method with Newton step is proposed in this work.
The Jacobian required for Newton step is analytically calculated in an elegant way
improving speed, stability and accuracy of the tool. A novel non-linear correction
scheme is proposed and implemented to resolve charge conservation issue.
The proposed formalism is validated in 0-D with time evolution of free carriers
simulation and with doping limits of Cu in CdTe simulation. Excellent agreement of
light JV curves calculated with PVRD-FASP and Silvaco Atlas tool for a 1-D CdTe
solar cell validates reaction formalism and tool accuracy. A closer match with the Cu
SIMS profiles of Cu activated CdTe samples at four different anneal recipes to the
simulation results show practical applicability. A 1D simulation of full stack CdTe
device with Cu activation at 350C 3min anneal recipe and light JV curve simulation
demonstrates the tool capabilities in performing process and device simulations. CdTe
device simulation for understanding differences between traps and recombination
centers in grain boundaries demonstrate 2D capabilities.
ContributorsShaik, Abdul Rawoof (Author) / Vasileska, Dragica (Thesis advisor) / Ringhofer, Christian (Committee member) / Sankin, Igor (Committee member) / Brinkman, Daniel (Committee member) / Goodnick, Stephen (Committee member) / Bertoni, Mariana (Committee member) / Arizona State University (Publisher)
Created2019