Physics Commons^™

Rbd2po4: Room Temprature Synthesis, Chemical And Structural Stablity Upon Heating, Masoud Mollaee

Open Access Theses & Dissertations

Monoclinic RbD2PO4 polycrystals were synthesized via the room temperature crystallization of RbH2PO4 dissolved in D2O. Powder x-ray diffraction (XRD) data collected at T=25 ºC indicate that this deuterated compound crystallizes in space group P21/m with unit cell parameters a=7.688í?, b=6.192í?, c=4.781í? and β=109.02°, and is isomorphic with the intermediate-temperature phase of its hydrogenated counterpart rubidium dihydrogen phosphate (RDP). We found no evidence of previously reported [Phase Transitions 80, 17 (2007)] polymorphic phase transition in rubidium dideuterium phosphate (DRDP) upon heating from room temperature to 210 ºC. All lattice parameters vary smoothly within this temperature range, demonstrating that the P21/m phase …

Two-Photon Microscopy Of Nanoparticles And Biotissues, Judith Noemi Rivera

Open Access Theses & Dissertations

Biomedical Imaging is an important tool in medical research and clinical practice. From understanding the fundamental processes involved in our biological makeup to its use in diagnostics in helping determine what ails us, the advancements in imaging and microscopy have helped shape our view of the world and nature. Microscopy in particular is often used to study the smallest of cells and their dynamical properties while attempting to minimally change the sample being studied. My research objective is largely divided into two parts. The first part consists of designing a video-rate raster scanning two-photon microscope that is faster than current …

Organic Photovoltaics: A Charge Transfer Perspective In The Study Of Donor-Acceptor Systems, Marco Olguin

Open Access Theses & Dissertations

The present research involves the study of donor-acceptor (D/A) dyad complexes from a charge transfer energy perspective. The aim is to provide insight and predictive understanding into the charge transfer processes of the molecular-level components in donor-acceptor based organic solar cells using computational methods to describe photochemical processes at the quantum mechanical level within the Density Functional Theory (DFT) approximation. Predictive understanding is anchored in reproducing experimental results, wherein the present work a perturbative excited-state DFT method is described in detail and shown to give Charge Transfer (CT) energies in excellent agreement with benchmark experimental data. With an accurate excited …

Surface Plasmon Polaritons And Waveguide Modes At Structured And Inhomogeneous Surfaces, Javier Polanco

Open Access Theses & Dissertations

In chapter 1, properties of a p-polarized surface plasmon polariton are studied, propagating circumferentially around a portion of a cylindrical interface between vacuum and a metal, a situation investigated earlier by M. V. Berry (J. Phys. A: Math. Gen. 8, (1975) 1952). When the metal is convex toward the vacuum this mode is radiative and consequently is attenuated as it propagates on the cylindrical surface. An approximate analytic solution of the dispersion relation for this wave is obtained by an approach different from the one used by Berry, and plots of the real and imaginary parts of its wave number …

Upgrades To Nrlmol Code, Luis Basurto

Open Access Theses & Dissertations

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure code in order to enhance its performance by increasing its flexibility by: a) Utilizing dynamically allocated arrays, b) Executing in a parallel environment sections of the program that were previously executed in a serial mode, c) Exploring simultaneous concurrent executions of the program through the use of an already existing MPI environment; thus enabling the simulation of larger systems than it is currently capable of performing. Also developed was a graphical user interface that will allow less experienced users to start performing electronic structure calculations by aiding …

Structural, Optical And Electrical Properties Of Yttrium-Doped Hafnium Oxide Nanocrystalline Thin Films, Abhilash Kongu

Open Access Theses & Dissertations

Hafnium oxide (HfO2) has emerged as the most promising high-k dielectric for Metal-Oxide-Semiconductor (MOS) devices and has been highlighted as the most suitable dielectric materials to replace silicon oxide because of its comprehensive performance. In the present research, yttrium-doped HfO2 (YDH) thin films were fabricated using RF magnetron sputter deposition onto Si (100) and quartz with a variable thickness. Cross-sectional scanning electron microscopy coupled with Filmetrics revealed that film thickness values range from 700 A° to 7500 A°. Electrical properties such as AC Resistivity and current-voltage (I-V) characteristics of YDH films were studied. YDH films that were relatively thin (<1500 A°) crystallized in monoclinic phase while thicker films crystallized in cubic phase. The band gap (Eg) of the films was calculated from the optical measurements. The band gap was found to be ∼5.60 eV for monoclinic while it is ∼6.05 eV for cubic phase of YDH films. Frequency dependence of the electrical resistivity (ρac) and the total conductivity of the films were measured. Resistivity decreased (by three orders of magnitude) with increasing frequency from 100 Hz to 1 MHz, attributed due to the hopping mechanism in YDH films. Whereas, while ρac∼1Ω-m at low frequencies (100 Hz), it decreased to ∼ 104 Ω-cm at higher frequencies (1 MHz). Aluminum (Al) metal electrodes were deposited to fabricate a thin film capacitor with YDH layer as dielectric film thereby employing Al-YDH-Si capacitor structure. The results indicate that the capacitance of the films decrease with increasing film thickness. A detailed analysis of the electrical characteristics of YDH films is presented.

Crystal Structure, Phase, And Optical Properties Of Yttrium-Doped Hafnium Oxide Nanocrystalline Thin Films, Alejandro Ortega

Open Access Theses & Dissertations

Yttrium-doped hafnium oxide (YDH) nanocrystalline films were produced by sputter-deposition at various substrate times and temperatures, to produce YDH films in a wide range of thicknesses, dYDH∼25 to 1100 nm. The deposition was made onto optical grade quartz and sapphire substrates. Samples deposited on sapphire were subject to post-deposition annealing (PDA) at various times (3-24 hr) and temperatures (1100 - 1500 °C). The effect of d[special characters omitted]YDH on the crystal structure, surface/interface morphology and optical properties of YDH films was investigated. X-ray diffraction analyses revealed the formation of monoclinic phase for relatively thin films (<150nm). The evolution towards stabilized cubic phase with increasing dYDH [special characters omitted]is observed. The scanning electron microscopy results indicate the dense, columnar structure of YDH films as a function of dYDH. Spectrophotometry analyses indicate that the grown YDH films are transparent and exhibit interference fringes. The band gap was found to be ∼ 5.60 eV for monoclinic YDH films while distinct separation and an increase in band gap to 6.03 eV is evident with increasing dYDH and formation cubic YDH films. The PDA films band gaps were found to be between 5.31 and 5.72 eV, all of which exhibit secondary gaps. A correlation between growth conditions, annealing, phase evolution, and optical properties of the YDH nanocrystalline thin films is established.

Size-Dependent Transitions In Grafted Polymer Brushes, Courtney Bosse

Open Access Theses & Dissertations

ABSTRACT

Finding probabilities in order to solve for the most likely configuration of a grafted polymer chain is easily calculated by solving a random walk problem, starting form a given point (the surface). A property of the random walk is used to describe the partition function of a polymer in terms of a sum over possible loops configurations, which simplifies tremendously the problem of calculating the partition function of the grafted polymer. Instead of solving the non-interacting random walk that has been well studied in the theory of the probability, the focus is on the problem of self-interacting random walks, …

Quark Fluctuations In A Chiral Model In The Presence Of A Magnetic Field, Lidens Cheng

Open Access Theses & Dissertations

Understanding the nature of the chiral and deconfinement phase transitions, the location of the critical point, and the properties in its vicinity are among the most important problems in the field of QCD. The purpose of this thesis is to use the two-flavor Nambu-Jona-Lasinio model in the presence of a magnetic field at the chiral limit to study the phase boundary where the spontaneously broken chiral symmetry is restored. At small chemical potential, the phase boundary exhibits a second-order phase transition. On the other hand, at large chemical potential and appropriate coupling constant, the phase boundary exhibits a first-order phase …