Engineering Physics Commons^™

First-Principles Study Of Doping Effects On Ferroelectricity And On Rashba Spin Splitting, Zegnet Yimer Muhammed

Graduate Theses and Dissertations

In this dissertation, we have thoroughly studied the effect of chemical and charge dopingon ferroelectrics (PbTiO3 and BaTiO3) and Rashba type semiconductor (BiTeI). In the first project, We investigate the polar instability and soft modes in electron-doped PbTiO3 using linear-response density functional calculations. Because, metallicity and ferroelectric-like polar distortion are mutually non-compatible, and their coexistence in the same system is an intriguing subject of fundamental interest in the field of structure phase transition. However, it is unclear what mechanism may extend the limit of metallicity that allows polar distortion. We find that ferroelectric instability can remarkably sustain up to an …

Development Of Deep Shear Wave Velocity Profiles And An Approach To Generate Site Signature Consistent Pseudo Shear Wave Velocity Profiles In The Mississippi Embayment, Ashraf Kamal Himel

Graduate Theses and Dissertations

This dissertation details the development of a surface wave method (SWM) technique to generate deep shear wave velocity profiles (VS profiles), applying this technique at 24 sites across the Mississippi embayment and developing an approach to generate pseudo site signature consistent VS profiles from velocity functions and fundamental frequency. In the presented SWM technique, active and passive source surface wave measurements are inverted along with fundamental frequency to develop a site signature consistent VS profile. Multiple transformation methods, including MSPAC, HRFK and FK are used to resolve experimental dispersion data from surface wave measurements. SWM VS profile at the Central …

Quantum Dots In Two-Dimensional Tungsten Diselenide, Jeb Allen Michael Stacy

Graduate Theses and Dissertations

This work focuses on the investigation of single and double quantum dots in two-dimensional transition metal dichalcogenide tungsten diselenide (WSe_2) as a means to evaluate the valley degree of freedom as a potential qubit and ambipolar tungsten diselenide monolayers as single photon sources. Gate-defined quantum dots in monolayer and bilayer WSe_2 were fabricated and characterized. Single dot devices are gated from above and below the WSe_2 to accumulate a hole gas. Temperature dependence of Coulomb-blockade peak height is consistent with single-level transport. Excited-state transport in the quantum dot is shown for both monolayer and bilayer devices. Magnetic field dependence of …

Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …

Materials Design For Energy Applications Using Ab- Initio Calculations, Hind Hemaidee Alqurashi

Graduate Theses and Dissertations

The structural, dynamical, electronic, and thermoelectric properties of rock-salt and wurtzite Cd1-xZnxO alloys, VTiRhZ (Al, Ga, In, Si, Ge, Sn) and ZrTiRhZ (Ge, Sn) quaternary Heusler alloys (QHAs) were investigated using density functional theory (DFT) and semi-classical Boltzmann transport theory. From these calculations, the alloys were identified as potential materials for future thermoelectric applications. Furthermore, the magnetic and spin-polarization properties of these QHAs were investigated. The total magnetic moments were found to be integer values for all QHAs. In addition, all studied QHAs except VTiRhAl possess a half-metallic behavior with a 100% spin-polarization. The half-metallic ferromagnetic behavior makes them promising …

Design, Fabrication, And Characterization Of An Array Of Graphene Based Variable Capacitors, Millicent Nkirote Gikunda

Graduate Theses and Dissertations

Since it was first isolated and characterized in 2004, graphene has shown the potential for a technological revolution. This is due to its amazing physical properties such as high electrical conductivity, high thermal conductivity, and extreme flexibility. Freestanding graphene membranes naturally possesses an intrinsic rippled structure, and these ripples are in constant random motion even room temperatures. Occasionally, the ripples undergo spontaneous buckling (change of curvature from concave to convex and vice versa) and the potential energy associated with this is a double well potential. This movement of graphene is a potential source of vibrational energy.

In this dissertation, we …

Sigesn Light-Emitting Devices: From Optical To Electrical Injection, Yiyin Zhou

Graduate Theses and Dissertations

Si photonics is a fast-developing technology that impacts many applications such as data centers, 5G, Lidar, and biological/chemical sensing. One of the merits of Si photonics is to integrate electronic and photonic components on a single chip to form a complex functional system that features compact, low-cost, high-performance, and reliability. Among all building blocks, the monolithic integration of lasers on Si encountered substantial challenges. Si and Ge, conventional epitaxial material on Si, are incompetent for light emission due to the indirect bandgap. The current solution compromises the hybrid integration of III-V lasers, which requires growing on separate smaller size substrates …

Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa

Graduate Theses and Dissertations

This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …

Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi

Graduate Theses and Dissertations

Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of …

Computational Modeling Of Black Phosphorus Terahertz Photoconductive Antennas Using Comsol Multiphysics With Experimental Comparison Against A Commercial Lt-Gaas Emitter, Jose Isaac Santos Batista

Graduate Theses and Dissertations

This thesis presents computational models of terahertz (THz) photoconductive antenna (PCA) emitter using COMSOL Multiphysics commercial package. A comparison of the computer simulated radiated THz signal against that of an experimentally measured signal of commercial reference LT-GaAs emitter is presented. The two-dimensional model (2D) aimed at calculating the photoconductivity of a black phosphorus (BP) PCA at two laser wavelengths of 780 nm and 1560 nm. The 2D model was applied to the BP PCA emitter and the LT-GaAs devices to compare their simulated performance in terms of the photocurrent and radiated THz signal pulse. The results showed better performance of …

Structural And Electronic Properties Of Few-Layer Monochalcogenides, Brandon Joel Miller

Graduate Theses and Dissertations

This work discusses a new class of materials with novel properties that have only recently begun being studied. These materials are two-dimensional group IV-VI monochalcogenides, so named because they are formed from group IV (carbon group) and group VI (chalcogens) elements. These materials display several interesting physical properties such as ferroelasticity and ferroelectricity, and the contents within Chapters Two, Three, and Four concern a collaborative effort between theory and experiment between our group at the University of Arkansas and Dr. Kai Chang at the Max Planck Institute of Microstructure Physics in Halle, Germany in studying these properties. This thesis is …

Memory Module Design For High-Temperature Applications In Sic Cmos Technology, Affan Abbasi

Graduate Theses and Dissertations

The wide bandgap (WBG) characteristics of SiC play a significant and disruptive role in the power electronics industry. The same characteristics make this material a viable choice for high-temperature electronics systems. Leveraging the high-temperature capability of SiC is crucial to automotive, space exploration, aerospace, deep well drilling, and gas turbines. A significant issue with the high-temperature operation is the exponential increase in leakage current. The lower intrinsic carrier concentration of SiC (10-9 cm-3) compared to Si (1010 cm-3) leads to lower leakage over temperature. Several researchers have demonstrated analog and digital circuits designed in SiC. However, a memory module is …

Interfacial Contact With Noble Metal - Noble Metal And Noble Metal - 2d Semiconductor Nanostructures Enhance Optical Activity, Ricardo Raphael Lopez Romo

Graduate Theses and Dissertations

Noble metal nanoparticles and two-dimensional (2D) transition metal dichalcogenide (TMD) crystals offer unique optical and electronic properties that include strong exciton binding, spin-orbital coupling, and localized surface plasmon resonance. Controlling these properties at high spatiotemporal resolution can support emerging optoelectronic coupling and enhanced optical features. Excitation dynamics of these optical properties on physicochemically bonded mono- and few-layer TMD crystals with metal nanocrystals and two overlapping spherical metal nanocrystals were examined by concurrently (i) DDA simulations and (ii) far-field optical transmission UV-vis spectroscopic measurements. Initially, a novel and scalable method to unsettle van der Waals bonds in bulk TMDs to prepare …

Studies Of Initial Growth Of Gan On Inn, Alaa Alnami

Graduate Theses and Dissertations

III-nitride materials have recently attracted much attention for applications in both the microelectronics and optoelectronics. For optoelectronic devices, III-nitride materials with tunable energy band gaps can be used as the active region of devices to enhance the absorption or emission. A such material is indium nitride (InN), which along with gallium nitride (GaN) and aluminum nitride (AlN) embody the very real promise of forming the basis of a broad spectrum, a high efficiency solar cell. One of the remaining complications in incorporating InN into a solar cell design is the effects of the high temperature growth of the GaN crystal …

Predicting The Mechanical Properties Of Nanocomposites Reinforced With 1-D, 2-D And 3-D Nanomaterials, Scott Edward Muller

Graduate Theses and Dissertations

Materials with features at the nanoscale can provide unique mechanical properties and increased functionality when included as part of a nanocomposite. This dissertation utilizes computational methods at multiple scales, including molecular dynamics (MD) and density functional theory (DFT), and the coupled atomistic and discrete dislocation multiscale method (CADD), to predict the mechanical properties of nanocomposites possessing nanomaterials that are either 1-D (carbyne chains), 2-D (graphene sheets), or 3-D (Al/amorphous-Si core-shell nanorod).

The MD method is used to model Ni-graphene nanocomposites. The strength of a Ni-graphene nanocomposite is found to improve by increasing the gap between the graphene sheet and a …

Characterization Of Hydride Vapor Phase Epitaxy Grown Gan Substrates For Future Iii-Nitride Growth, Alaa Ahmad Kawagy

Graduate Theses and Dissertations

The aim of this research is to investigate and characterize the quality of commercially obtained gallium nitride (GaN) on sapphire substrates that have been grown using hydride vapor phase epitaxy (HVPE). GaN substrates are the best choice for optoelectronic applications because of their physical and electrical properties. Even though HVPE GaN substrates are available at low-cost and create the opportunities for growth and production, these substrates suffer from large macro-scale defects on the surface of the substrate.

In this research, four GaN on sapphire substrates were investigated in order to characterize the surface defects and, subsequently, understand their influence on …

Feedforward And Feedback Signals In The Olfactory System, Srimoy Chakraborty

Graduate Theses and Dissertations

The conglomeration of myriad activities in neural systems often results in prominent oscillations. The primary goal of the research presented in this thesis was to study effects of sensory stimulus on the olfactory system of rats, focusing on the olfactory bulb (OB) and the anterior piriform cortex (aPC). Extracellular electrophysiological measurements revealed distinct frequency bands of oscillations in OB and aPC. However, how these oscillatory fluctuations help the animal to process sensory input is not clearly understood. Here we show high frequency oscillations in olfactory bulb carry feedforward signals to anterior piriform cortex whereas feedback from the aPC is predominantly …

Quasi-Particle Band Structure And Excitonic Effects In One-Dimensional Atomic Chains, Eesha Sanjay Andharia

Graduate Theses and Dissertations

The high exciton binding energy in one dimensional (1D) nano-structures makes them prominent for optoelectronic device applications, making it relevant to theoretically investigate their electronic and optical properties. Many-body effects that are not captured by the conventional density functional theory (DFT) have a huge impact in such selenium and tellurium single helical atomic chains. This work goes one step beyond DFT to include the electron self-energy effects within the GW approximation to obtain a corrected quasi-particle electronic structure. Further, the Bethe-Salpeter equation was solved to obtain the absorption spectrum and to capture excitonic effects. Results were obtained using the Hyberstein-Louie …

Exfoliation, Synthesis, And Characterization Of Nanoscale Te, Takayuki Hironaka

Graduate Theses and Dissertations

Since the experimental discovery of graphene, two dimensional materials have enjoyed more attention and emphasis in academic research than nanowires, but the latter are an important area of study for creating 1D materials, or single atom chains, the next generation materials for advancing electronic devices. Atomically thin layers can be generated from 2D materials with weak bonds in one direction, and by applying this concept to one dimensional weakly bonded materials, we hypothesize that single atom chains with atomic-scale diameters may be produced. Tellurium (Te) and selenium (Se) have lattices consisting of spiral chains oriented along the c-axis, and each …

Fabrication And Characterization Of Electrochemical Glucose Sensors, Mohammed Marie

Graduate Theses and Dissertations

Electrochemical sensors based on the nanostructure of the semiconductor materials are of tremendous interest to be utilized for glucose monitoring. The sensors, based on the nanostructure of the semiconductor materials, are the third generations of the glucose sensors that are fast, sensitive, and cost-effect for glucose monitoring.

Glucose sensors based on pure zinc oxide nanorods (NRs) grown on different substrates, such ITO, FTO, and Si/SiO2/Au, were investigated in this research. Silicon nanowire (NW)- based glucose sensors were also studied. First, an enzyme-based glucose sensor was fabricated out of glass/ITO/ZnO NRs/BSA/GOx/nafion membrane. The sensor was tested amperometrically at different glucose concentrations. …

Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack

Graduate Theses and Dissertations

Bijels are a relatively new class of soft materials that have many potential applications in the technology areas of energy, medicine, and environmental sustainability. They are formed by the arrest of binary liquid spinodal decomposition by a dispersion of solid colloidal nanoparticles. This dissertation presents an in-depth simulation study of Bijels constrained to thin-film geometries and in the presence of electric fields. We validate the computational model by comparing simulation results with previous computational modeling and experimental research. In the absence of suspended particles, we demonstrate that the model accurately captures the rich kinetics associated with diffusion-based surface-directed spinodal decomposition. …

Characterization Of Nanoparticles Using Solid State Nanopores, Santoshi Nandivada

Graduate Theses and Dissertations

Solid state nanopores are widely used in detection of highly charged biomolecules like DNA and proteins. In this study, we use a solid state nanopore based device to characterize spherical nanoparticles to estimate their size and electrical charge using the principle of resistive pulse technique. The principle of resistive pulse technique is the method of counting and sizing particles suspended in a fluid medium, which are electrophoretically driven through a channel and produce current blockage signals due to giving rise to a change in its initial current. This change in current is denoted as a current blockage or as a …

Photoluminescence Measurement On Low-Temperature Metal Modulation Epitaxy Grown Gan, Yang Wu

Graduate Theses and Dissertations

A low-temperature photoluminescence (PL) study was conducted on low-temperature metal modulation epitaxy (MME) grown GaN. By comparing the PL signal from high temperature grown GaN buffer layers, and MME grown cap layers on top of the buffer layers, it was found that MME grown GaN cap has a significantly greater defect-related emission. The band edge PL from MME grown GaN found to be 3.51eV at low temperature. The binding energy of the exciton in GaN is determined to be 21meV through temperature dependence analysis. A PL peak at 3.29eV was found in the luminescence of the MME grown cap layer, …

Experimental And Computational Studies Of Cortical Neural Network Properties Through Signal Processing, Wesley Patrick Clawson

Graduate Theses and Dissertations

Previous studies, both theoretical and experimental, of network level dynamics in the cerebral cortex show evidence for a statistical phenomenon called criticality; a phenomenon originally studied in the context of phase transitions in physical systems and that is associated with favorable information processing in the context of the brain. The focus of this thesis is to expand upon past results with new experimentation and modeling to show a relationship between criticality and the ability to detect and discriminate sensory input. A line of theoretical work predicts maximal sensory discrimination as a functional benefit of criticality, which can then be characterized …

Atom-Based Geometrical Fingerprinting Of Conformal Two-Dimensional Materials, Mehrshad Mehboudi

Graduate Theses and Dissertations

The shape of two-dimensional materials plays a significant role on their chemical and physical properties. Two-dimensional materials are basic meshes that are formed by mesh points (vertices) given by atomic positions, and connecting lines (edges) between points given by chemical bonds. Therefore the study of local shape and geometry of two-dimensional materials is a fundamental prerequisite to investigate physical and chemical properties. Hereby the use of discrete geometry to discuss the shape of two-dimensional materials is initiated.

The local geometry of a surface embodied in 3D space is determined using four invariant numbers from the metric and curvature tensors which …

Multi-Physics Modeling Of Terahertz And Millimeter-Wave Devices, Mohammad Ali Khorrami

Graduate Theses and Dissertations

In recent years, there have been substantial efforts to design and fabricate millimeter-wave and terahertz (THz) active and passive devices. Operation of microwave and photonic devices in THz range is limited due to limited maximum allowable electron velocity at semiconductor materials, and large dimensions of optical structures that prohibit their integration into nano-size packages, respectively. In order to address these issues, the application of surface plasmons (SPs) is mostly suggested to advance plasmonic devices and make this area comparable to photonics or electronics.

In this research, the feasibility of implementing THz and millimeter-wave plasmonic devices inside different material platforms including: …