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This thesis focuses on the theoretical work done to determine thermodynamic properties of a chalcopyrite thin-film material for use as a photovoltaic material in a tandem device. The material of main focus here is ZnGeAs2, which was chosen for the relative abundance of constituents, favorable photovoltaic properties, and good lattice

This thesis focuses on the theoretical work done to determine thermodynamic properties of a chalcopyrite thin-film material for use as a photovoltaic material in a tandem device. The material of main focus here is ZnGeAs2, which was chosen for the relative abundance of constituents, favorable photovoltaic properties, and good lattice matching with ZnSnP2, the other component in this tandem device. This work is divided into two main chapters, which will cover: calculations and method to determine the formation energy and abundance of native point defects, and a model to calculate the vapor pressure over a ternary material from first-principles. The purpose of this work is to guide experimental work being done in tandem to synthesize ZnGeAs2 in thin-film form with high enough quality such that it can be used as a photovoltaic. Since properties of photovoltaic depend greatly on defect concentrations and film quality, a theoretical understanding of how laboratory conditions affect these properties is very valuable. The work done here is from first-principles and utilizes density functional theory using the local density approximation. Results from the native point defect study show that the zinc vacancy (VZn) and the germanium antisite (GeZn) are the more prominent defects; which most likely produce non-stoichiometric films. The vapor pressure model for a ternary system is validated using known vapor pressure for monatomic and binary test systems. With a valid ternary system vapor pressure model, results show there is a kinetic barrier to decomposition for ZnGeAs2.
ContributorsTucker, Jon R (Author) / Van Schilfgaarde, Mark (Thesis advisor) / Newman, Nathan (Committee member) / Adams, James (Committee member) / Arizona State University (Publisher)
Created2011
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Description
Microwave dielectrics are widely used to make resonators and filters in telecommunication systems. The production of thin films with high dielectric constant and low loss could potentially enable a marked reduction in the size of devices and systems. However, studies of these materials in thin film form are very sparse.

Microwave dielectrics are widely used to make resonators and filters in telecommunication systems. The production of thin films with high dielectric constant and low loss could potentially enable a marked reduction in the size of devices and systems. However, studies of these materials in thin film form are very sparse. In this research, experiments were carried out on practical high-performance dielectrics including ZrTiO4-ZnNb2O6 (ZTZN) and Ba(Co,Zn)1/3Nb2/3O3 (BCZN) with high dielectric constant and low loss tangent. Thin films were deposited by laser ablation on various substrates, with a systematical study of growth conditions like substrate temperature, oxygen pressure and annealing to optimize the film quality, and the compositional, microstructural, optical and electric properties were characterized. The deposited ZTZN films were randomly oriented polycrystalline on Si substrate and textured on MgO substrate with a tetragonal lattice change at elevated temperature. The BCZN films deposited on MgO substrate showed superior film quality relative to that on other substrates, which grow epitaxially with an orientation of (001) // MgO (001) and (100) // MgO (100) when substrate temperature was above 500 oC. In-situ annealing at growth temperature in 200 mTorr oxygen pressure was found to enhance the quality of the films, reducing the peak width of the X-ray Diffraction (XRD) rocking curve to 0.53o and the χmin of channeling Rutherford Backscattering Spectrometry (RBS) to 8.8% when grown at 800oC. Atomic Force Microscopy (AFM) was used to study the topography and found a monotonic decrease in the surface roughness when the growth temperature increased. Optical absorption and transmission measurements were used to determine the energy bandgap and the refractive index respectively. A low-frequency dielectric constant of 34 was measured using a planar interdigital measurement structure. The resistivity of the film is ~3×1010 ohm·cm at room temperature and has an activation energy of thermal activated current of 0.66 eV.
ContributorsLi, You (Author) / Newman, Nathan (Thesis advisor) / Alford, Terry (Committee member) / Singh, Rakesh (Committee member) / Arizona State University (Publisher)
Created2013
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Description
The study of high energy particle irradiation effect on Josephson junction tri-layers is relevant to applications in space and radioactive environments. It also allows us to investigate the influence of defects and interfacial intermixing on the junction electrical characteristics. In this work, we studied the influence of 2MeV Helium ion

The study of high energy particle irradiation effect on Josephson junction tri-layers is relevant to applications in space and radioactive environments. It also allows us to investigate the influence of defects and interfacial intermixing on the junction electrical characteristics. In this work, we studied the influence of 2MeV Helium ion irradiation with doses up to 5.2×1016 ions/cm2 on the tunneling behavior of Nb/Al/AlOx/Nb Josephson junctions. Structural and analytical TEM characterization, combined with SRIM modeling, indicates that over 4nm of intermixing occurred at the interfaces. EDX analysis after irradiation, suggests that the Al and O compositions from the barrier are collectively distributed together over a few nanometers. Surprisingly, the IV characteristics were largely unchanged. The normal resistance, Rn, increased slightly (<20%) after the initial dose of 3.5×1015 ions/cm2 and remained constant after that. This suggests that tunnel barrier electrical properties were not affected much, despite the significant changes in the chemical distribution of the barrier's Al and O shown in SRIM modeling and TEM pictures. The onset of quasi-particle current, sum of energy gaps (2Δ), dropped systematically from 2.8meV to 2.6meV with increasing dosage. Similarly, the temperature onset of the Josephson current dropped from 9.2K to 9.0K. This suggests that the order parameter at the barrier interface has decreased as a result of a reduced mean free path in the Al proximity layer and a reduction in the transition temperature of the Nb electrode near the barrier. The dependence of Josephson current on the magnetic field and temperature does not change significantly with irradiation, suggesting that intermixing into the Nb electrode is significantly less than the penetration depth.
ContributorsZhang, Tiantian (Author) / Newman, Nathan (Thesis advisor) / Rowell, John M (Committee member) / Singh, Rakesh K. (Committee member) / Chamberlin, Ralph (Committee member) / Wang, Robert (Committee member) / Arizona State University (Publisher)
Created2012
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Description
Electron Paramagnetic Resonance (EPR) has facilitated great scientific advancements in many fields, like material science, engineering, medicine, biology, and health. EPR provided the ability to investigate samples on molecular level to detect chemical composition and identify harmful substances like free radicals. This thesis aims to explore current health and diagnostics

Electron Paramagnetic Resonance (EPR) has facilitated great scientific advancements in many fields, like material science, engineering, medicine, biology, and health. EPR provided the ability to investigate samples on molecular level to detect chemical composition and identify harmful substances like free radicals. This thesis aims to explore current health and diagnostics EPR research and investigate the free radical content in related paramagnetic centers. Examining paramagnetic diagnostic markers of Cancer, Sicklecell disease, oxidative stress, and food oxidation. After exploring current literature on EPR, an experiment is designed and conducted to test seven different coffee samples (Turkish coffee, Espresso Coffee, European Coffee, Ground Arabic Coffee, American Coffee, Roasted Arabic Coffee, and Green Arabic Coffee), using Bruker ELEXSYS E580 spectrometer at x-band and under both room temperature (298 K) and low temperature (106 -113 K). Several microwave powers (1, mW, 0.25 mW, 0.16 mW, 0.06 mW, 0.04 mW) and different modulation frequency (10 G, 5 G, 3 G) are used. The results revealed average g-value was 2.009, highest linewidth was 16.312. Espresso coffee had the highest concentration of radicals, and green Arabic coffee beans had the lowest. Obtained spectra showed signals of Reactive Oxygen Species (ROS) radicals; believed to be result of natural oxidation process, as well as trace amounts of Fe3+ and other transition metals impurities, likely to be naturally found in coffee or resulting from the process of coffee production.
ContributorsMaki, Husain (Author) / Newman, Nathan (Thesis advisor) / Alford, Terry (Committee member) / Chamberlin, Ralph (Committee member) / Arizona State University (Publisher)
Created2022
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Description
In this project, current-voltage (I-V) and Deep Level Transient Spectroscopy (DLTS) measurements are used to (a) characterize the electrical properties of Nb/p-type Si Schottky barriers, (b) identify the concentration and physical character of the electrically active defects present in the depletion region, and (c) use thermal processing to reduce the

In this project, current-voltage (I-V) and Deep Level Transient Spectroscopy (DLTS) measurements are used to (a) characterize the electrical properties of Nb/p-type Si Schottky barriers, (b) identify the concentration and physical character of the electrically active defects present in the depletion region, and (c) use thermal processing to reduce the concentration or eliminate the defects. Barrier height determinations using temperature-dependent I-V measurements indicate that the barrier height decreases from 0.50 eV to 0.48 eV for anneals above 200 C. The electrically-active defect concentration measured using DLTS (deep level transient spectroscopy) drops markedly after anneals at 250 C.

A significant increase in leakage currents is almost always observed in near-ideal devices upon annealing. In contrast, non-ideal devices dominated by leakage currents annealed at 150 C to 250 C exhibit a significant decrease in such currents.
ContributorsKrishna Murthy, Madhu (Author) / Newman, Nathan (Thesis advisor) / Goryll, Michael (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2018
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Description
Attaining a sufficiently large critical current density (Jc) in magnetic-barrier Josephson junctions has been one of the greatest challenges to the development of dense low-power superconductor memories. Many experimentalists have used various combinations of superconductor (S) and ferromagnetic (F) materials, with limited success towards the goal of attaining a useful

Attaining a sufficiently large critical current density (Jc) in magnetic-barrier Josephson junctions has been one of the greatest challenges to the development of dense low-power superconductor memories. Many experimentalists have used various combinations of superconductor (S) and ferromagnetic (F) materials, with limited success towards the goal of attaining a useful Jc. This trial-and-error process is expensive and time consuming. An improvement in the fundamental understanding of transport through the ferromagnetic layers and across the superconductor-ferromagnetic interface could potentially give fast, accurate predictions of the transport properties in devices and help guide the experimental studies.

In this thesis, parameters calculated using density functional methods are used to model transport across Nb/0.8 nm Fe/Nb/Nb and Nb/3.8 nm Ni /Nb/Nb Josephson junctions. The model simulates the following transport processes using realistic parameters from density functional theory within the generalized gradient approximation: (a) For the first electron of the Cooper pair in the superconductor to cross the interface- conservation of energy and crystal momentum parallel to the interface (kll). (b) For the second electron to be transmitted coherently- satisfying the Andreev reflection interfacial boundary conditions and crossing within a coherence time, (c) For transmission of the coherent pair through the ferromagnetic layer- the influence of the exchange field on the electrons’ wavefunction and (d) For transport through the bulk and across the interfaces- the role of pair-breaking from spin-flip scattering of the electrons. Our model shows the utility of using realistic electronic-structure band properties of the materials used, rather the mean-field exchange energy and empirical bulk and interfacial material parameters used by earlier workers. [Kontos et al. Phys. Rev Lett, 93(13), 137001. (2004); Demler et al. Phys. Rev. B, 55(22), 15174. (1997)].

The critical current densities obtained from out model for Nb/0.8 nm Fe/Nb is 104 A/cm2 and for Nb/3.8 nm Ni/Nb is 7.1*104 A/cm2. These values fall very close to those observed experimentally- i.e. for Nb/0.8 nm Fe/Nb is 8*103 A/cm2 [Robinson et al" Phys. Rev. B 76, no. 9, 094522. (2007)] and for Nb/3.8 nm of Ni/Nb is 3*104 A/cm2 [Blum et al Physical review letters 89, no. 18, 187004. (2002). This indicates that our approach could potentially be useful in optimizing the properties of ferromagnetic-barrier structures for use in low-energy superconducting memories.
ContributorsKalyana Raman, Dheepak Surya (Author) / Newman, Nathan (Thesis advisor) / Muhich, Christopher L (Committee member) / Ferry, David K. (Committee member) / Arizona State University (Publisher)
Created2018
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Description
This thesis explores the possibility of fabricating superconducting tunnel junctions (STJ) using double angle evaporation using an E-beam system. The traditional method of making STJs use a shadow mask to deposit two films requires the breaking of the vacuum of the main chamber. This technique has given bad results and

This thesis explores the possibility of fabricating superconducting tunnel junctions (STJ) using double angle evaporation using an E-beam system. The traditional method of making STJs use a shadow mask to deposit two films requires the breaking of the vacuum of the main chamber. This technique has given bad results and proven to be a tedious process. To improve on this technique, the E-beam system was modified by adding a load lock and transfer line to perform the multi-angle deposition and in situ oxidation in the load lock without breaking the vacuum of the main chamber. Bilayer photolithography process was used to prepare a pattern for double angle deposition for the STJ. The overlap length could be easily controlled by varying the deposition angles. The low-temperature resistivity measurement and scanning electron microscope (SEM) characterization showed that the deposited films were good. However, I-V measurement for tunnel junction did not give expected results for the quality of the fabricated STJs. The main objective of modifying the E-beam system for multiple angle deposition was achieved. It can be used for any application that requires angular deposition. The motivation for the project was to set up a system that can fabricate a device that can be used as a phonon spectrometer for phononic crystals. Future work will include improving the quality of the STJ and fabricating an STJs on both sides of a silicon substrate using a 4-angle deposition.
ContributorsRana, Ashish (Author) / Wang, Robert Y (Thesis advisor) / Newman, Nathan (Committee member) / Wang, Liping (Committee member) / Arizona State University (Publisher)
Created2019
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Description
Measurements of the geometrical magnetoresistance of a conventional semiconductor, gallium arsenide (GaAs), and a more recently developed semiconductor, iron pyrite (FeS2) were measured in the Corbino disc geometry as a function of magnetic field to determine the carrier mobility (μm). These results were compared with measurements of the Hall mobility

Measurements of the geometrical magnetoresistance of a conventional semiconductor, gallium arsenide (GaAs), and a more recently developed semiconductor, iron pyrite (FeS2) were measured in the Corbino disc geometry as a function of magnetic field to determine the carrier mobility (μm). These results were compared with measurements of the Hall mobility (μH) made in the Van der Pauw configuration. The scattering coefficient (ξ), defined as the ratio between magnetoresistance and Hall mobility (μm/μH), was determined experimentally for GaAs and natural pyrite from 300 K to 4.2 K. The effect of contact resistance and heating on the measurement accuracy is discussed.
ContributorsRavi, Aditya (Author) / Newman, Nathan (Thesis advisor) / Singh, Rakesh (Committee member) / Ferry, David K. (Committee member) / Arizona State University (Publisher)
Created2016
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Description
Pyrite is a 0.95 eV bandgap semiconductor which is purported to have great potential in widespread, low–cost photovoltaic cells. A thorough material selection process was used in the design of a pyrite sequential vapor deposition chamber aimed at reducing and possibly eliminating contamination during thin film growth. The design process

Pyrite is a 0.95 eV bandgap semiconductor which is purported to have great potential in widespread, low–cost photovoltaic cells. A thorough material selection process was used in the design of a pyrite sequential vapor deposition chamber aimed at reducing and possibly eliminating contamination during thin film growth. The design process focused on identifying materials that do not produce volatile components when exposed to high temperatures and high sulfur pressures. Once the materials were identified and design was completed, the ultra–high vacuum growth system was constructed and tested.

Pyrite thin films were deposited using the upgraded sequential vapor deposition chamber by varying the substrate temperature from 250°C to 420°C during deposition, keeping sulfur pressure constant at 1 Torr. Secondary Ion Mass Spectrometry (SIMS) results showed that all contaminants in the films were reduced in concentration by orders of magnitude from those grown with the previous system. Characterization techniques of Rutherford Back–scattering Spectrometry (RBS), X–Ray Diffraction (XRD), Raman Spectroscopy, Optical Profilometry and UV/Vis/Near–IR Spectroscopy were performed on the deposited thin films. The results indicate that stoichiometric ratio of S:Fe, structural–quality (epitaxy), optical roughness and percentage of pyrite in the deposited thin films improve with increase in deposition temperature. A Tauc plot of the optical measurements indicates that the pyrite thin films have a bandgap of 0.94 eV.
ContributorsWalimbe, Aditya (Author) / Newman, Nathan (Thesis advisor) / Alford, Terry (Committee member) / Singh, Rakesh (Committee member) / Arizona State University (Publisher)
Created2016
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Description
A series of Molybdenum-Copper bilayers were studied for use in 120mK superconducting transition edge sensors for spectrometer applications. The Transition temperature (TC) was tuned to the desired temperature using the proximity effect, by adjusting the thickness of a normal copper layer in direct contact with the superconducting molybdenum layer

A series of Molybdenum-Copper bilayers were studied for use in 120mK superconducting transition edge sensors for spectrometer applications. The Transition temperature (TC) was tuned to the desired temperature using the proximity effect, by adjusting the thickness of a normal copper layer in direct contact with the superconducting molybdenum layer in a proximitized bilayer structure. The bilayers have a fixed normal metal thickness dCu=1250 Å, on top of a variable superconductor thickness 650 Å ≤ dMo ≤ 1000 Å. Material characterization techniques including X-ray Diffraction (XRD), Rutherford Backscattering Spectroscopy (RBS), Atomic Force Microscopy (AFM), and 4-point electrical characterization are used to characterize the films. Film TC are compared with the results of the Usadel proximity theory. The results of RBS analysis demonstrated that some Argon-contamination is observed at the Mo film-substrate interface, which correlates with bilayer surface roughness (as observed with AFM), reduced crystalline quality (via XRD Rocking Curve), and a deviation from the theoretical expected TC for a bilayer. The Argon contamination is presumably the cause of interface roughness, reducing the interface transmission coefficient in the Usadel model, and producing the discrepancy from the expected TC.
ContributorsKopas, Cameron (Author) / Newman, Nathan (Thesis advisor) / Singh, Rakesh (Committee member) / Chamberlin, Ralph (Committee member) / Arizona State University (Publisher)
Created2014