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First-Principles-Based Modeling Of Energy Converting Properties Of Conventional And Emerging Ferroelectrics, Maggie Kingsland

USF Tampa Graduate Theses and Dissertations

Ferroelectric materials are a type of multifunctional material that exhibit spontaneous polarization reversable by the application of an electric field. They are used in many technologies such as ferroelectric RAM (FeRAM), piezoelectric devices, RFID chips, and capacitors. However, the most commonly used ferroelectrics are often made with rare, expensive elements and are not environmentally friendly. For example, many prototypical ferroelectrics contain elements such as lead, zirconium, and titanium. As technology grows more advanced, there is a need to discover or manufacture cheaper ferroelectrics and to make them less impactful on human health and the earth as a whole. We set …

The Role Of Partial Surface Charge Compensation In The Properties Of Ferroelectric And Antiferroelectric Thin Films, Elena Glazkova

USF Tampa Graduate Theses and Dissertations

Ferroelectric and antiferroelectric ultrathin films have attracted a lot of attention recently due to their remarkable properties and their potential to allow for device miniaturization in numerous applications. However, when the ferroelectric films are scaled down, it brings about an unavoidable depolarizing field. A partial surface charge compensation allows to control the residual depolarizing field and manipulate the properties of ultrathin ferroelectric films. In this dissertation we take advantage of atomistic first-principles-based simulations to expand our understanding of the role of the partial surface charge compensation in the properties of ferroelectric and antiferroelectric ultrathin films.

The application of our computational …

Thinking Nature, "Pierre Maupertuis And The Charge Of Error Against Fermat And Leibniz", Richard Samuel Lamborn

USF Tampa Graduate Theses and Dissertations

The purpose of this dissertation is to defend Pierre Fermat and Gottfried Wilhelm Leibniz against the charge of error made against them by Pierre Maupertuis that they errantly applied final causes to physics. This charge came in Maupertuis’ 1744 speech to the Paris Academy of Sciences, later published in different versions, entitled Accord Between Different Laws Which at First Seemed Incompatible. It is in this speech that Maupertuis lays claim to one of the most important discoveries in the history of physics and science, The Principle of Least Action. From the date of this speech up until the end …

Magneto-Optical Kerr Eect Study Of Magnetic Anisotropy In Soft Ferromagnets, Tatiana Marie Eggers

USF Tampa Graduate Theses and Dissertations

The continued progress of modern information technology relies on understanding the influence of magnetic anisotropy on magnetic thin films. In this work, two sources of magnetic anisotropy are examined in two different soft ferromagnets: a uniaxial anisotropy induced during the fabrication of Ni₈₀Fe₂₀ and exchange anisotropy, or exchange bias, which occurs at the interface of Ni₇₇Fe₁₄Cu₅Mo₄/Fe₅₀Mn₅₀ bilayer. A home-built Magneto-optical Kerr effect magnetometer is used to measure the magnetic response of the soft ferromagnetic films and details of its construction are also discussed. A simple model …

The Soft Mode Driven Dynamics Of Ferroelectric Perovskites At The Nanoscale: An Atomistic Study, Kevin Mccash

USF Tampa Graduate Theses and Dissertations

The discovery of ferroelectricity at the nanoscale has incited a lot of interest in perovskite ferroelectrics not only for their potential in device application but also for their potential to expand fundamental understanding of complex phenomena at very small size scales. Unfortunately, not much is known about the dynamics of ferroelectrics at this scale. Many of the widely held theories for ferroelectric materials are based on bulk dynamics which break down when applied to smaller scales. In an effort to increase understanding of nanoscale ferroelectric materials we use atomistic resolution computational simulations to investigate the dynamics of polar perovskites. Within …

Raman Spectroscopy Of Inas/Gaas Quantum Dots Patterned By Nano-Indentation, Lindsay K. Hussey

USF Tampa Graduate Theses and Dissertations

Patterns of InAs/GaAs quantum dots (QDs) grown by the combination of nanoindentation technique and molecular beam epitaxy were studied. The resulting QDs tend to preferentially nucleate on indented areas rather than other regions. We studied the strain on the indentations, regions surrounding the indents, and non-indented areas. The QD LO mode for the patterned areas shifts by 7 cm-1 when compared to the non-patterned area. The biaxial strain in the indented areas producing this shift is four times larger than that in non-indented areas, explaining the QD preferential formation within these areas. This larger strain suggests that QDs on the …

Assessing The Role Of Filler Atoms In Skutterudites And Synthesis And Characterization Of New Filled Skutterudites, Grant E. Fowler

USF Tampa Graduate Theses and Dissertations

For the past decade interest in skutterudites has been significant as a potentially viable material for thermoelectrics. One way to improve the effectiveness of these materials is to lower their thermal conductivity. Lattice thermal conductivity of a series of La- and Yb-filled skutterudite antimonides (with varying filling fraction) has been modeled with different phonon scattering parameters using the debye approximation. It was found that filler atoms both increase point defect scattering and resonance scattering. Subsequently, the thermal conductivity of partially-filled skutterudites AxCo4Sb12, where A = La, Eu and Yb, is analyzed using the Debye model in order to correlate the …

Coge1.5Se1.5 : Structural And Transport Properties Characterization, Randolph Ertenberg

USF Tampa Graduate Theses and Dissertations

Skutterudites have been of great interest for thermoelectric applications over the last ten years. Scientific interest has focused on the unique transport properties Skutterudites possess due to the unique crystal structure. Technical interest has grown since it was discovered that some compounds rival the current best thermoelectric materials. To further the understanding of this material system, and optimize its thermoelectric properties, the synthesis and characterization of polycrystalline n- and ptype CoGe1.5Se1.5 was undertaken. Structural, morphological, chemical, electrical, thermal and magnetic properties were studied. These data are compared to those of the binary Skutterudite CoSb3. The results of this study show …