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- Creators: Newman, Nathan
- Creators: Barrett, The Honors College
Description
The chemical, structural, and electrical properties of niobium-silicon, niobium-germanium, and YBCO-dielectric interfaces are characterized. Reduction in the concentration of interfacial defects in these structures can improve the performance of (i) many devices including low-loss coplanar, microstrip, and stripline microwave resonators used in next-generation cryogenic communication, sensor, and quantum information technologies and (ii) layers used in device isolation, inter-wiring dielectrics, and passivation in microwave and Josephson junction circuit fabrication.
Methods were developed to synthesize amorphous-Ge (a-Ge) and homoepitaxial-Si dielectric thin-films with loss tangents of 1–2×10 -6 and 0.6–2×10 -5 at near single-photon powers and sub-Kelvin temperatures (≈40 mK), making them potentially a better choice over undoped silicon and sapphire substrates used in quantum devices. The Nb/Ge interface has 20 nm of chemical intermixing, which is reduced by a factor of four using 10 nm Ta diffusion layers. Niobium coplanar resonators using this structure exhibit reduced microwave losses.
The nature and concentration of defects near Nb-Si interfaces prepared with commonly-used Si surface treatments were characterized. All samples have H, C, O, F, and Cl in the Si within 50 nm of the interface, and electrically active defects with activation energies of 0.147, 0.194, 0.247, 0.339, and 0.556 eV above the valence band maximum (E vbm ), with concentrations dominated by a hole trap at E vbm +0.556 eV (presumably Nb Si ). The optimum surface treatment is an HF etch followed by an in-situ 100 eV Ar ion mill. RCA etches, and higher energy ion milling processes increase the concentration of electrically active defects.
A thin SrTiO 3 buffer layer used in YBa 2 Cu 3 O 7-δ superconductor/high-performance Ba(Zn 1/3 Ta 2/3 )O 3 and Ba(Cd 1/3 Ta 2/3 )O 3 microwave dielectric trilayers improves the structural quality of the layers and results in 90 K superconductor critical temperatures. This advance enables the production of more compact high-temperature superconductor capacitors, inductors, and microwave microstrip and stripline devices.
Methods were developed to synthesize amorphous-Ge (a-Ge) and homoepitaxial-Si dielectric thin-films with loss tangents of 1–2×10 -6 and 0.6–2×10 -5 at near single-photon powers and sub-Kelvin temperatures (≈40 mK), making them potentially a better choice over undoped silicon and sapphire substrates used in quantum devices. The Nb/Ge interface has 20 nm of chemical intermixing, which is reduced by a factor of four using 10 nm Ta diffusion layers. Niobium coplanar resonators using this structure exhibit reduced microwave losses.
The nature and concentration of defects near Nb-Si interfaces prepared with commonly-used Si surface treatments were characterized. All samples have H, C, O, F, and Cl in the Si within 50 nm of the interface, and electrically active defects with activation energies of 0.147, 0.194, 0.247, 0.339, and 0.556 eV above the valence band maximum (E vbm ), with concentrations dominated by a hole trap at E vbm +0.556 eV (presumably Nb Si ). The optimum surface treatment is an HF etch followed by an in-situ 100 eV Ar ion mill. RCA etches, and higher energy ion milling processes increase the concentration of electrically active defects.
A thin SrTiO 3 buffer layer used in YBa 2 Cu 3 O 7-δ superconductor/high-performance Ba(Zn 1/3 Ta 2/3 )O 3 and Ba(Cd 1/3 Ta 2/3 )O 3 microwave dielectric trilayers improves the structural quality of the layers and results in 90 K superconductor critical temperatures. This advance enables the production of more compact high-temperature superconductor capacitors, inductors, and microwave microstrip and stripline devices.
ContributorsKopas, Cameron Joseph (Author) / Newman, Nathan (Thesis advisor) / Alford, Terry L. (Committee member) / Carpenter, Ray W (Committee member) / Williams, Peter (Committee member) / Arizona State University (Publisher)
Created2020
Description
Realization of efficient, high-bandgap photovoltaic cells produced using economically viable methods is a technological advance that could change the way we generate and use energy, and thereby accelerate the development of human civilization. There is a need to engineer a semiconductor material for solar cells, particularly multijunction cells, that has high (1.6-2.0 eV) bandgap, has relatively inactive defects, is thermodynamically stable under normal operating conditions with the potential for cost-effective thin-film growth in mass production.This work focuses on a material system made of gallium, indium, and phosphorus – the ternary semiconductor GaInP. GaInP based photovoltaic cells in single-crystal form have demonstrated excellent power conversion efficiency, however, growth of single-crystal GaInP is prohibitively expensive. While growth of polycrystalline GaInP is expected to lower production costs, polycrystalline GaInP is also expected to have a high density of electronically active defects, about which little is reported in scientific literature. This work presents the first study of synthesis, and structural and optoelectronic characterization of polycrystalline GaInP thin films.
In addition, this work models the best performance of polycrystalline solar cells achievable with a given grain size with grain-boundary/surface recombination velocity as a variable parameter. The effects of defect characteristics at the surface and layer properties such as doping and thickness on interface recombination velocity are also modeled.
Recombination velocities at the free surface of single-crystal GaInP and after deposition of various dielectric layers on GaInP are determined experimentally using time-resolved photoluminescence decay measurements. In addition, experimental values of bulk lifetime and surface recombination velocity in well-passivated single crystal AlInP-GaInP based double heterostructures are also measured for comparison to polycrystalline material systems.
A novel passivation method – aluminum-assisted post-deposition treatment or Al-PDT – was developed which shows promise as a general passivation and material improvement technique for polycrystalline thin films. In the GaInP system, this aluminum post-deposition treatment has demonstrated improvement in the minority carrier lifetime to 44 ns at 80 K. During development of the passivation process, aluminum diffusivity in GaInP was measured using TEM-EDS line scans. Introduction, development, and refinement of this novel passivation mechanism in polycrystalline GaInP could initiate the development of a new family of passivation treatments, potentially improving the optoelectronic response of other polycrystalline compound semiconductors as well.
ContributorsChikhalkar, Abhinav (Author) / King, Richard R (Thesis advisor) / Honsberg, Christiana (Committee member) / Newman, Nathan (Committee member) / Tongay, Sefaattin (Committee member) / Arizona State University (Publisher)
Created2021
Description
In materials science, developing GeSn alloys is major current research interest concerning the production of efficient Group-IV photonics. These alloys are particularly interesting because the development of next-generation semiconductors for ultrafast (terahertz) optoelectronic communication devices could be accomplished through integrating these novel alloys with industry-standard silicon technology. Unfortunately, incorporating a maximal amount of Sn into a Ge lattice has been difficult to achieve experimentally. At ambient conditions, pure Ge and Sn adopt cubic (α) and tetragonal (β) structures, respectively, however, to date the relative stability and structure of α and β phase GeSn alloys versus percent composition Sn has not been thoroughly studied. In this research project, computational tools were used to perform state-of-the-art predictive quantum simulations to study the structural, bonding and energetic trends in GeSn alloys in detail over a range of experimentally accessible compositions. Since recent X-Ray and vibrational studies have raised some controversy about the nanostructure of GeSn alloys, the investigation was conducted with ordered, random and clustered alloy models.
By means of optimized geometry analysis, pure Ge and Sn were found to adopt the alpha and beta structures, respectively, as observed experimentally. For all theoretical alloys, the corresponding αphase structure was found to have the lowest energy, for Sn percent compositions up to 90%. However at 50% Sn, the correspondingβ alloy energies are predicted to be only ~70 meV higher. The formation energy of α-phase alloys was found to be positive for all compositions, whereas only two beta formation energies were negative. Bond length distributions were analyzed and dependence on Sn incorporation was found, perhaps surprisingly, not to be directly correlated with cell volume. It is anticipated that the data collected in this project may help to elucidate observed complex vibrational properties in these systems.
By means of optimized geometry analysis, pure Ge and Sn were found to adopt the alpha and beta structures, respectively, as observed experimentally. For all theoretical alloys, the corresponding αphase structure was found to have the lowest energy, for Sn percent compositions up to 90%. However at 50% Sn, the correspondingβ alloy energies are predicted to be only ~70 meV higher. The formation energy of α-phase alloys was found to be positive for all compositions, whereas only two beta formation energies were negative. Bond length distributions were analyzed and dependence on Sn incorporation was found, perhaps surprisingly, not to be directly correlated with cell volume. It is anticipated that the data collected in this project may help to elucidate observed complex vibrational properties in these systems.
ContributorsLiberman-Martin, Zoe Elise (Author) / Chizmeshya, Andrew (Thesis director) / Sayres, Scott (Committee member) / Wolf, George (Committee member) / School of Mathematical and Statistical Sciences (Contributor) / School of Molecular Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
Description
With renewable energy on the rise, researchers have turned their funding and their focus towards new solar cell technologies, and perovskites are a major source of interest. This class of materials is particularly interesting due to their quick, simple synthesis as well as their physical and electrical superiority when compared to current silicon-based solar cells. Through this thesis, we will explore the synthesis of various types of perovskites and their subsequent characterization, which includes optical microscopy, photoluminescence spectroscopy, Raman microscopy, and X-ray diffraction. Analyzing two different perovskites both before and after a two-week period of storage revealed that while synthesis is indeed experiment-friendly, these materials have a concerning lack of stability even in ideal conditions.
ContributorsBuzas, Benjamin Joseph (Author) / Tongay, Sefaattin (Thesis director) / Muhich, Christopher (Committee member) / Materials Science and Engineering Program (Contributor, Contributor) / Barrett, The Honors College (Contributor)
Created2020-05
Description
Hyperspectral imaging is a novel technology which allows for the collection of reflectance spectra of a sample in-situ and at a distance. A rapidly developing technology, hyperspectral imaging has been of particular interest in the field of art characterization, authentication, and conservation as it avoids the pitfalls of traditional characterization techniques and allows for the rapid and wide collection of data never before possible. It is hypothesized that by combining the power of hyperspectral imaging with machine learning, a new framework for the in-situ and automated characterization and authentication of artworks can be developed. This project, using the CMYK set of inks, began the preliminary development of such a framework. It was found that hyperspectral imaging and machine learning as a combination show significant potential as an avenue for art authentication, though further progress and research is needed to match the reliability of status quo techniques.
ContributorsChowdhury, Tanzil Aziz (Author) / Newman, Nathan (Thesis director) / Tongay, Sefaattin (Committee member) / School of Politics and Global Studies (Contributor) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2020-05
Description
This paper investigates Surface Mechanical Attrition Treatment (SMAT) and the influence of treatment temperature and initial sample surface finish on the corrosion resistance of 7075-T651 aluminum alloy. Ambient SMAT was performed on AA7075 samples polished to 80-grit initial surface roughness. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) tests were used to characterize the corrosion behavior of samples before and after SMAT. Electrochemical tests indicated an improved corrosion resistance after application of SMAT process. The observed improvements in corrosion properties are potentially due to microstructural changes in the material surface induced by SMAT which encouraged the formation of a passive oxide layer. Further testing and research are required to understand the corrosion related effects of cryogenic SMAT and initial-surface finish as the COVID-19 pandemic inhibited experimentation plans.
ContributorsDeorio, Jordan Anthony (Author) / Solanki, Kiran (Thesis director) / Rajagopalan, Jagannathan (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2020-05
Description
Non-Destructive Testing (NDT) is integral to preserving the structural health of materials. Techniques that fall under the NDT category are able to evaluate integrity and condition of a material without permanently altering any property of the material. Additionally, they can typically be used while the material is in active use instead of needing downtime for inspection.
The two general categories of structural health monitoring (SHM) systems include passive and active monitoring. Active SHM systems utilize an input of energy to monitor the health of a structure (such as sound waves in ultrasonics), while passive systems do not. As such, passive SHM tends to be more desirable. A system could be permanently fixed to a critical location, passively accepting signals until it records a damage event, then localize and characterize the damage. This is the goal of acoustic emissions testing.
When certain types of damage occur, such as matrix cracking or delamination in composites, the corresponding release of energy creates sound waves, or acoustic emissions, that propagate through the material. Audio sensors fixed to the surface can pick up data from both the time and frequency domains of the wave. With proper data analysis, a time of arrival (TOA) can be calculated for each sensor allowing for localization of the damage event. The frequency data can be used to characterize the damage.
In traditional acoustic emissions testing, the TOA combined with wave velocity and information about signal attenuation in the material is used to localize events. However, in instances of complex geometries or anisotropic materials (such as carbon fibre composites), velocity and attenuation can vary wildly based on the direction of interest. In these cases, localization can be based off of the time of arrival distances for each sensor pair. This technique is called Delta T mapping, and is the main focus of this study.
The two general categories of structural health monitoring (SHM) systems include passive and active monitoring. Active SHM systems utilize an input of energy to monitor the health of a structure (such as sound waves in ultrasonics), while passive systems do not. As such, passive SHM tends to be more desirable. A system could be permanently fixed to a critical location, passively accepting signals until it records a damage event, then localize and characterize the damage. This is the goal of acoustic emissions testing.
When certain types of damage occur, such as matrix cracking or delamination in composites, the corresponding release of energy creates sound waves, or acoustic emissions, that propagate through the material. Audio sensors fixed to the surface can pick up data from both the time and frequency domains of the wave. With proper data analysis, a time of arrival (TOA) can be calculated for each sensor allowing for localization of the damage event. The frequency data can be used to characterize the damage.
In traditional acoustic emissions testing, the TOA combined with wave velocity and information about signal attenuation in the material is used to localize events. However, in instances of complex geometries or anisotropic materials (such as carbon fibre composites), velocity and attenuation can vary wildly based on the direction of interest. In these cases, localization can be based off of the time of arrival distances for each sensor pair. This technique is called Delta T mapping, and is the main focus of this study.
ContributorsBriggs, Nathaniel (Author) / Chattopadhyay, Aditi (Thesis director) / Papandreou-Suppappola, Antonia (Committee member) / Skinner, Travis (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
Description
Titanium dioxide is an essential material under research for energy and environmental applications, chiefly through its photocatalytic properties. These properties allow it to be used for water-splitting, detoxification, and photovoltaics, in addition to its conventional uses in pigmentation and sunscreen. Titanium dioxide exists in several polymorphic structures, of which the most common are rutile and anatase. We focused on anatase for the purposes of this research, due to its promising results for hydrolysis.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
ContributorsShindel, Benjamin Noam (Author) / Crozier, Peter (Thesis director) / Anwar, Shahriar (Committee member) / Singh, Arunima (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
Description
The possibility of creating inorganic/organic hybrid materials has yet to be fully explored within geopolymer research. Using PDMS as an organic precursor, the surface of sodium and potassium geopolymers of varying precursor composition were functionalized with degraded PDMS oligomers. Both types of geopolymer yielded hydrophobic materials with BET surface area of 0.6475 m2/g and 4.342 m2/g for sodium and potassium geopolymer, respectively. Each respective material also had an oil capacity of 74.75 ± 4.06 weight% and 134.19 ± 4.89 weight%. X-ray diffraction analysis demonstrated that the PDMS functionalized sodium geopolymers had similar crystal structures that matched references for zeolite A and sodalite. The potassium geopolymers were amorphous, but showed consistency in diffraction patterns across different compositions.
ContributorsMaurer, Matthew (Author) / Seo, Don (Thesis director) / Ciota, David (Committee member) / Barrett, The Honors College (Contributor) / Chemical Engineering Program (Contributor)
Created2022-05
Description
The mechanism of loss in high performance microwave dielectrics with complex perovskite structure, including Ba(Zn1/3Ta2/3)O3, Ba(Cd1/3Ta2/3)O3, ZrTiO4-ZnNb2O6, Ba(Zn1/3Nb2/3)O3, and BaTi4O9-BaZn2Ti4O11, has been investigated. We studied materials synthesized in our own lab and from commercial vendors. Then the measured loss tangent was correlated to the optical, structural, and electrical properties of the material. To accurately and quantitatively determine the microwave loss and Electron Paramagnetic Resonance (EPR) spectra as a function of temperature and magnetic field, we developed parallel plate resonator (PPR) and dielectric resonator (DR) techniques. Our studies found a marked increase in the loss at low temperatures is found in materials containing transition metal with unpaired d-electrons as a result of resonant spin excitations in isolated atoms (light doping) or exchange coupled clusters (moderate to high doping) ; a mechanism that differs from the usual suspects. The loss tangent can be drastically reduced by applying static magnetic fields. Our measurements also show that this mechanism significantly contributes to room temperature loss, but does not dominate. In order to study the electronic structure of these materials, we grew single crystal thin film dielectrics for spectroscopic studies, including angular resolved photoemission spectroscopy (ARPES) experiment. We have synthesized stoichiometric Ba(Cd1/3Ta2/3)O3 [BCT] (100) dielectric thin films on MgO (100) substrates using Pulsed Laser Deposition. Over 99% of the BCT film was found to be epitaxial when grown with an elevated substrate temperature of 635 C, an enhanced oxygen pressures of 53 Pa and a Cd-enriched BCT target with a 1 mol BCT: 1.5 mol CdO composition. Analysis of ultra violet optical absorption results indicate that BCT has a bandgap of 4.9 eV.
ContributorsLiu, Lingtao (Author) / Newman, Nathan (Thesis advisor) / Marzke, Robert (Committee member) / Chamberlin, Ralph (Committee member) / Arizona State University (Publisher)
Created2013