Condensed Matter Physics Commons^™

Automating The Determination Of Tight-Binding Representations For Two-Dimensional Ferroelectrics, Joseph Roll

Physics Undergraduate Honors Theses

Two-dimensional (atomically thin) materials have been greatly explored in the last two decades since the exfoliation of graphene in 2004. Since then, many exotic material properties have been shown for these systems; these new properties often arise from certain crystal symmetries or lack thereof. One of interest is ferroelectricity in which a noncentrosymmetric crystal structure can lead to a switchable intrinsic electric dipole in our material. This can then lead to second-harmonic generation in which two photons enter a material at a given frequency and one photon exits the material at double the original frequency. The study presented here makes …

Super P-Sulfur Cathodes For Quasi-Solid-State Lithium-Sulfur-Batteries., Milinda Bharatha Kalutara Koralalage

Electronic Theses and Dissertations

Lithium-Sulfur (Li-S) batteries have become a promising candidate to meet the current energy storage demand, with its natural abundance of materials, high theoretical capacity of 1672 mAhg-1, high energy density of 2600 Whkg-1, low cost and lower environmental impact. Sulfide based solid state electrolytes (SSEs) have received greater attention due to their higher ionic conductivity, compatible interface with sulfur-based cathodes, and lower grain boundary resistance. However, the interface between SSEs and cathodes has become a challenge in all solid-state Li-S batteries due to the rigidity of the participating surfaces. A hybrid electrolyte containing SSE coupled with a small amount of …

Computational Modeling Of Superconductivity From The Set Of Time-Dependent Ginzburg-Landau Equations For Advancements In Theory And Applications, Iris Mowgood

Computational and Data Sciences (PhD) Dissertations

A full review of the research conducted and published during my PhD studies in Computational and Data Sciences at Chapman University, under the advisement of Dr. Armen Gulian, are presented. Using the set of time-dependent Ginzburg-Landau (TDGL) equations with inclusion of the interference current and the non-equilibrium phonon term, we modeled the dynamics of superconductors in various theory revealing states and practical purposes. A review of the history and phenomenon of superconductivity, including modern applications, is introduced. The Josephson effect and associated Josephson junction are discussed for comparison to our analogous results with the 1-D superconducting wire. The mathematics of …

Apparatus And Instrumentation Design For Investigation Of Surface Impact Effects On Superconductivity, Austin Back

All Theses

The effects of ion irradiation on the physical properties of materials make EBITs an invaluable tool for many scientific and engineering fields. Many experiments rely on the use of these lab setups to test for device reliability, explore surface physics phenomena, and replicate the environment for many physical systems that are not readily accessible. We seek to extend the capabilities of these experiments using the CUEBIT and a new sample holder installed in section 3.

This thesis begins by presenting an overview of the CUEBIT and the basic operations of the equipment. This is followed by a brief explanation of …

Exploring Ferroelectric Phenomena In Batio3, Linbo3, And Liznsb: From Extended Oxygen Vacancies To Tri-Stable Polarization And Giant Hyperferroelectricity, Shaohui Qiu

Graduate Theses and Dissertations

This dissertation presents three projects that investigate the complex phenomena of ferroelectricity under different conditions in BaTiO3, LiNbO3, and LiZnSb using first-principles density functional calculations. Extended defects in ferroelectric solids play a crucial role in reducing the lifetime and performance of ferroelectric devices by causing fatigue, domain pinning, and aging. Thus, understanding their impact is of critical importance for the development of reliable and high-performance ferroelectric devices. In addition, hyperferroelectricity is an intriguing phenomenon that has attracted much attention in recent years. Despite the existence of depolarization field, spontaneous polarization persists under an open-circuit boundary condition (OCBC), making hyperferroelectric materials …

Magnetic Properties Of Polycrystalline Spinel Oxides From Solid State Reaction, Camden Olds

Honors Program: Senior Projects (Public)

Spinel crystal materials of nickel, cobalt, and iron oxides have seen abundant research for their strong conductivity, ferromagnetic and ferroelectric properties, and their catalytic uses. These can be synthesized by a number of means. This project explores the use of the solid state synthesis method, which benefits from simplicity, of this family of materials, looking for interesting phase shift lines in the triangle between of varying compositions of these three metals.

Nickel cobaltite and other related spinels were synthesized from two different solid state approaches and characterized using XRD and SQUID magnetometry. The range 0.5-0.6 of molar ratios of nickel …

Understanding And Tuning Magnetism In Van Der Waals Magnetic Compounds, Rabindra Basnet

Graduate Theses and Dissertations

The recently discovered two-dimensional (2D) magnetism has attracted intensive attention due to possible magnetic phenomenon arising from 2D magnetism and their promising potential for spintronics applications. The advances in 2D magnetism have motivated the study of layered magnetic materials, and further enhanced our ability to tune their magnetic properties. Among various layered magnets, tunable magnetism has been widely investigated in metal thiophosphates MPX3. It is a class of magnetic van der Waals (vdW) materials with antiferromagnetic ordering persisting down to atomically thin limit. Their magnetism originates from the localized moments due to 3d electrons in transition metal ions. So, their …

Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Hydrogen was predicted to be a high-temperature superconductor at near-megabar conditions in 1968,[1] but only recently was been experimentally observed.[2] This is due to the extraneous metrological constraint of requiring 5 megabars of pressure to stabilize. A more practical approach for synthesis of high-temperature superconductors has been pro-posed through the use of hydride compounds. Recently, a surge of rare earth hydrides have achieved critical superconducting transition temperatures (T_C ) close to room temperature.[3, 4, 5, 6] However, due to limitations of the necessary instrumentation to achieve megabar pressures, many techniques traditionally used to measure stoichiometry are unavailable.Three works presented in …

Methods For Preparing And Characterizing Granular Materials For Electron Yield Measurements, Tom Keaton

All Graduate Plan B and other Reports, Spring 1920 to Spring 2023

This work presents a systematic study on sample preparation methods and accuracy of electron yield (EY) measurements of highly insulating, granular materials. EY measurements of highly insulating materials, especially those with high EY, are challenging due to the effects of sample charging even for very low fluence electron probe beams. EY measurements of particulates are complicated by: (i) roughness effects from particulate size, shape, coverage, and compactness; (ii) particle adhesion; (iii) substrate contributions; and (iv) electrostatic repulsion and potential barriers from charged particles and substrates. Numerous methods were explored to rigidly affix particles on conducting substrates at varying coverages for …

Response Of The Isothermal Mode Grüneisen Tensor Across Phase Boundaries, Jasmine K. Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

The assumptions for the 1912 Grüneisen parameter are reviewed, particularly in the cases of anisotropy, high temperatures, and across phase boundaries. Two main case studies are shown: β-Sn, and Cd. The main techniques of this work involve resistively heated diamond anvil cells with both optical Raman spectroscopy and x-ray diffraction. It is found in Sn that the isothermal mode Grüneisen tensor along increasing isotherms diverges from the single-valued temperature aggregate at the onset of melt, and this is proposed to use as a method of exploring melt phase boundaries in other systems. This method is examined once again on another …

Designing Noncentrosymmetric Multifunctional Materials, Ebube Oyeka

All Dissertations

Noncentrosymmetric (NCS) materials with crystal lattices lacking spatial inversion symmetry display a wide range of exciting functionalities. This dissertation covers two classes of functional NCS materials: magnetic skyrmion-host compounds and multifunctional materials. Magnetic skyrmion and multifunctional materials combining optical and magnetic responses are providing avenues for developing and optimizing the performance of electronic devices that can have uses in memory storage, laser technology, medicine, sensors, etc. The formation of skyrmions is driven by asymmetric Dzyaloshinskii–Moriya (DM) interaction facilitated by broken spatial inversion symmetry and large spin-orbit coupling (SOC), while multiple functionalities arise when spin carriers and optical chromophores are optimally …

Tailoring The Polyurethane Foam/Rgo/Batio3 Pressure Sensor For Human Activities, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Analog Cosmology And Superfluidity In Atomic Gases And Electronic Materials, Anshuman Bhardwaj

LSU Doctoral Dissertations

We present a study of analog cosmological models in Bose-Einstein condensates (BEC) and in graphene, and superfluidity in a box-shaped traps. We start by examining the dynamics of a Bose-Einstein condensate (BEC) trapped inside an expanding toroid that can realize an analog inflationary universe. The expanding condensate forces phonons to undergo redshift and damping due to quantum pressure, owing to the thinness of the ring. We predict that such expanding BECs can exhibit spontaneous phonon creation from the vacuum state and show how it would manifest in the atom density and density correlations and discuss connections with the inflationary theory. …

Modeling Excited State Processes In Molecular Aggregates By Constructing An Adaptive Basis For The Hierarchy Of Pure States, Leonel Varvelo

Chemistry Theses and Dissertations

Simulating excitation energy transfer (EET) in molecular materials is of crucial importance for the development of and understanding of materials such as organic photovoltaics and photosynthetic systems and further development of novel materials. The Hierarchy of Pure States (HOPS) is an exact framework for the time evolution of an open quantum system in which a hierarchy of stochastic wave functions are propagated in time. The adaptive HOPS (adHOPS) method achieves size-invariant scaling with the number of simulated molecules for sufficiently large aggregates by using an adaptive basis that moves with the excitation through the material. To demonstrate the power of …

Description Of Reaction And Vibrational Energetics Of Co2-Nh3interaction Using Quantum Computing Algorithms, Manh Tien Nguyen, Yueh-Lin Lee, Dominic Alfonso, Qing Shao, Yuhua Duan

Markey Cancer Center Faculty Publications

CO2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO2. Thus, it is crucial to study the chemical absorption of CO2 by amine-based solvents to better understand and optimize CO2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO2 and a simplified amine-based solvent model—NH3. Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular …

Relevancy Of Pulsed Electroacoustic Measurements For Investigating Spacecraft Charging, Zachary Gibson, J. R. Dennison

Journal Articles

The magnitude and spatial distribution of charge embedded in dielectric materials and the evolution of the charge distributions with time are paramount for the understanding and mitigation of spacecraft charging. Spacecraft materials are charged primarily by incident fluxes of low-energy electrons, with electron fluxes in the 10–50 keV range often responsible for the most deleterious arcing effects. While the pulsed electroacoustic (PEA) method can provide sensitive nondestructive measurements of the internal charge distribution in insulating materials, it has often been limited for spacecraft charging applications by typical spatial resolutions of ≤ 10 μm , with a 10- μm …

Space Environment Effects On The Electron Yields Of Ldef Thermal Control Coatings, Trace Taylor, Matthew Robertson, Heather Allen, Jr Dennison, Michael Guy, Emily Willis

Journal Articles

Space-environment-induced degradation of white thermal control coatings from the Long Duration Exposure Facility (LDEF) was investigated. Much of the exterior of the LDEF was painted with a white thermal control coating, Aeroglaze A276; and most of the interior was coated with a black thermal control coating, Aeroglaze Z306. Outgassing from these coatings and other LDEF materials interacted with the white surface when exposed to sunlight after volatile materials condensed on the LDEF surfaces. Surface morphology was characterized by optical and scanning electron microscopies. Fourier-transform infrared spectroscopy and energy-dispersive x-ray spectroscopy were used to identify the chemical compounds and elements present …

Design And Implementation Of Humidity Sensor Based On Carbon Nitride Modifed With Graphene Quantum Dots, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Comparison Of Pulsed Electroacoustic Measurements And Af-Numit3 Modeling Of Polymers Irradiated With Monoenergetic Electrons, Zachary Gibson, J. R. Dennison, Brian Beecken, Ryan Hoffmann

Journal Articles

Successful spacecraft design and charging mitigation techniques require precise and accurate knowledge of charge deposition profiles. This paper compares models of charge deposition and transport using a venerable deep dielectric charging code, AF-NUMIT3, with direct measurements of charge profiles via pulsed electroacoustic (PEA) measurements. Eight different simulations were performed for comparison to PEA experiments of samples irradiated by 50 or 80 keV monoenergetic electrons in vacuum and at room temperature. Two materials, polyether-ether ketone (PEEK) and polytetrafluoroethylene (PTFE), were chosen for their very low conductivities so that minimal charge migration would occur between irradiation and PEA measurements. PEEK was found …

Synthesis And Characterization Of Nonstoichiometric Cobalt/ Cnts Nano Composites For Multifunctional Applications, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Revealing The Three-Dimensional Magnetic Texture With Machine Learning Models, Shihua Zhao

Dissertations, Theses, and Capstone Projects

Revealing three-dimensional (3D) magnetic textures with vector field electron tomography (VFET) is essential in studying novel magnetic materials with topologically protected spin textures potentially being used in the next-generation semiconductor industry. In this dissertation, we use machine learning (ML) models to reconstruct 3D magnetic textures from electron holography (EH) data.

We can feed the EH data, a series of two-dimensional (2D) phasemaps, into a neural network (NN) architecture directly or feed the EH data into a conventional VFET and then feed the reconstructed results into a NN. Thus, perceptive NN, either a simple convolutional neural network (CNN) or Unet architecture, …

Magnetic Interactions In Open-Shell Conjugated Polymers, Michael Steelman

Dissertations

Most materials are closed shell in which every electron participates in a bond, resulting in unremarkable magnetometry signatures and functionalities. While rare, modern technologies rely on magnetic materials in which unpaired electrons are localized to inorganic atomic centers. In recent decades, a collection of organic open-shell π-conjugated molecules have shown magnetic ordering, albeit at exceedingly low temperatures; a result of weak noncovalent intermolecular interactions limiting long range electronic exchange. Thus, practically applicable sp orbital magnetism that persists at or above room temperature remains a grand challenge for chemistry and physics. Despite the wide variety of chemical structures afforded by organic …

Architecture Of Heptagonal Metallo-Macrocycles Via Embedding Metal Nodes Into Its Rigid Backbone, A.M.Shashika D. Wijerathna, He Zhao, Qiangqiang Dong, Qixia Bai, Zhiyuan Jiang, Jie Yuan, Jun Wang, Mingzhao Chen, Markus Zirnheld, Rockwell T. Li, Yuan Zhang, Yiming Li, Pingshan Wang

College of Sciences Posters

Metal-organic macrocycles have received increasing attention not only due to their versatile applications such as molecular recognition, compounds encapsulation, anti-bacteria and others, but also for their important role in the study of structure-property relationship at nano scale. However, most of the constructions utilize benzene ring as the backbone, which restricts the ligand arm angle in the range of 60, 120 and 180 degrees. Thus, the topologies of most metallo-macrocycles are limited as triangles and hexagons, and explorations of using other backbones with large angles and the construction of metallo-macrocycles with more than six edges are very rare.

In this study, …

Entropy-Driven Structural Transition From Tetragonal To Cubic Phase: High Thermoelectric Performance Of Cucdinse3 Compound, Tingting Luo, Yihao Hu, Shi Liu, Fanjie Xia, Junhao Qiu, Haoyang Peng, Keke Liu, Quansheng Guo, Xingzhong Li, Dongwang Yang, Xianli Su, Jinsong Wu, Xinfeng Tang

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cu based chalcopyrite is an important class of thermoelectric materials with excellent electronic properties, however, the thermal conductivity is relatively high due to the simple tetragonal structure with highly ordered configuration on cation sites, limiting the thermoelectric performance. Herein, we realize that the modulation of entropy via alloying CdSe achieves the structural transition from tetragonal structure with ordered configuration on cations sites in CuInSe₂ compound to cubic CuCdInSe₃. CuCdInSe₃ crystallizes in a zinc blende (ZnS) structure where Cu, Cd and In cations randomly occupy the Zn site with the occupancy fraction 1/3. This entropy driven order-disorder …

Long-Range And Chaotic Active Mixing Of Swimming Microbes In A Vortex Chain Flow, Nghia Le

Honors Theses

We present experiments studying the motion and active mixing of swimming mi- crobes in laminar, vortex-dominated fluid flows. We are testing a theory that predicts the existence of swimming invariant manifolds (SwIMs) - invisible, one-way barriers blocking the paths of self-propelled tracers in the flow in one direction. We also pro- pose that the SwIMs together can form chute structures in three-dimensional phase space that facilitate cross-vortex transport of the microbes. We also observe evidence of how these structures promote long-range transport at different non-dimensional velocities (microbe’s velocity relative to flow velocity). Long-range transport is quan- tified by measuring the …

New Features In Landyne 5 - A Software Suite For Materials Characterization And Crystallography By Transmission Electron Microscopy, Xing-Zhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Landyne software suite (version 5) includes fifteen standalone computer programs for materials characterization and crystallography by transmission electron microscopy [1]. A launcher interface is provided for users to access all components conveniently. The purpose of this software suite is twofold: i) as research tools to analyze experimental results, ii) as teaching tools to explore the varieties of electron diffraction methods and crystallographic image processing principles.

The Landyne suite previously included: PTable, an interactive periodic table of elements; SVAT, a structural visual and analytical tool; SAED and PCED, simulation and analysis of electron diffraction (spot and ring) patterns; QSAED and QPCED, …

Structural, Electronic, And Magnetic Properties Of Cofevge-Based Compounds: Experiment And Theory, Parashu Kharel, Zachary Lehmann, Gavin Baker, Lukas Stuelke, Shah R. Valloppilly, Paul M. Shand, Pavel V. Lukashev

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have carried out a combined theoretical and experimental investigation of both stoichiometric and nonstoichiometric CoFeVGe alloys. In particular, we have investigated CoFeVGe, Co_1.25Fe_0.75VGe, Co_0.75Fe_1.25VGe, and CoFe_0.75VGe bulk alloys. Our first principles calculations suggest that all four alloys show ferromagnetic order, where CoFeVGe, Co_1.25Fe_0.75VGe, and Co_0.75Fe_1.25VGe are highly spin polarized with spin polarization values of over 80%. However, the spin polarization value of CoFe_0.75VGe is only about 60%. We have synthesized all four samples using arc melting and high-vacuum annealing …

Tem Studies Of A New Modulated Structure In Mn2Rusn Alloy And Intermetallic Phases In Fe3+XCo3–XTi2 (X = 0, 1, 2, 3) Alloys, Xing-Zhong Li, Shah R. Valloppilly

Nebraska Center for Materials and Nanoscience: Faculty Publications

Heusler compounds are a remarkable class of intermetallic materials with wide-ranging and tunable properties. The Mn₂RuSn Heusler compound was reported as an L2₁B-type cubic phase, a = 0.62195 nm, distinguishing from the original L2₁ structure (or L2₁A-type). The L2₁B-type structure is a disordered variant of the inverse Heusler structure, XA-type (Prototype-CuHg₂Ti, space group No. 216, F4–3m).

In our recent work [1], we observed a new modulated structure derived from the XA-type structure and its orthogonal domains in the Mn₂RuSn Heusler alloy. The structural characterization was carried out …

Nonequilibrium Dynamics Of Correlated Disordered Systems Under Interaction Quenches, Eric A. Dohner

Legacy Theses & Dissertations (2009 - 2024)

Correlated, disordered lattice fermion systems out of equilibrium have been understudied, at least in part for lack of tools to study them. The development of a new method, the NE-DMFT+CPA, is explicated, for investigating the properties of these systems. This method combines DMFT and the CPA using the Kadanoff-Baym-Keldysh contour-time formalism to study the dynamics of interacting disordered systems out of equilibrium. The method is detailed, then applied to the case of the Anderson-Hubbard model: first to replicate well-known equilibrium results, then to study the case of the model under the effect of an interaction quench. Here the effect of …

Investigating The Structural Properties Of Licoo2 Through Annealing In A Reducing Atmosphere And Characterization Using Raman Spectroscopy And X-Ray Diffraction, Mathew A. Boeser

Graduate Theses/Dissertations

The electrochemical performance of lithium cobalt oxide (LiCoO₂) cathode materials in lithium-ion batteries is strongly influenced by their structural and chemical characteristics. Annealing in a reducing atmosphere is able to modify the crystal structure of LiCoO₂ by inducing oxygen vacancies, ideally enhancing its electrochemical performance. This master's thesis presents an investigation into the effects of low to mid-range annealing temperatures in a reducing atmosphere on bulk LiCoO₂ powder, utilizing Raman spectroscopy and X-ray Diffraction (XRD).