Physical Sciences and Mathematics 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 …