Physics Commons^™

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 …

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 …