Condensed Matter Physics Commons^™

Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani

Makara Journal of Science

Humidity sensors are pivotal in numerous sectors, such as environmental monitoring, industrial automation, and health-care. This study presents the fabrication and detailed evaluation of an advanced humidity sensor using ethyl cellulose (EC)-coated LaFe_0.925Ti_0.075O₃ (LFTO) perovskite nanoparticles synthesized via the sol-gel method. The LFTO nanopar-ticles exhibited a mesoporous structure with an enhanced surface area, which significantly improved their moisture adsorption capabilities. The innovative application of EC coating addresses critical substrate adhesion issues, enhancing mechanical stability without compromising sensor sensitivity. Comprehensive performance evaluations revealed minimal hysteresis (

First-Principles Study Of Uranium Mononitride, Roy Noe Herrera Navarro

Open Access Theses & Dissertations

This thesis presents a first-principles investigation of uranium mononitride (UN), withemphasis on the connection between uranium 5f electron correlation and defect stability. Electronic-structure calculations were performed within density functional theory using the Vienna Ab initio Simulation Package. Exchange-correlation effects were treated within the generalized gradient approximation, and a Hubbard correction was applied to the uranium 5f manifold. The adopted Hubbard parameter was motivated by first-principles linear-response analysis and considered in the broader context of DFT+DMFT descriptions of correlated uranium systems, including recent interpretations of UN as a Hund-metal system. Bulk UN was studied in unit-cell and 2 x 2 x …

Mechanisms Of Dendritic Shorting In Lithium Metal Batteries With Li7la3zr2o12 Solid Electrolytes, Lukas Karapin-Springorum

Pomona Senior Theses

Energy storage will play a crucial role in efforts to mitigate the effects of climate change caused by greenhouse gas emissions from human activity. Lithium metal batteries using solid electrolytes like Li₇La₃Zr₂O₁₂ have higher energy density than lithium-ion batteries, which may enable a more rapid and complete electrification of transportation. However, lithium metal batteries suffer from undesirable short-circuiting when metallic lithium deposits connect the two electrodes. It has been debated whether these lithium dendrites generally grow directionally from the anode or are generated by the reduction of lithium ions inside the solid electrolyte, …

Towards The Electronic Response Of Carbon-Based Van Der Waals Heterostructures In A Diamond Anvil Cell, George Thomas Foskaris

UNLV Theses, Dissertations, Professional Papers, and Capstones

The nanoscale regime of materials has been at the forefront of research and interest in condensed matter physics for many years. In a merger of the fields of two-dimensional (2D) materials and high pressure physics, we present an investigation of the electronic response of carbon-based, van der Waals (vdW) heterostructures in a diamond anvil cell (DAC). Combining these fields presents us with the ability to study the characteristics of such systems both optically, and through electrical transport. Properties such as conductance, band structure, and layer number are considered. The samples in this study are assembled using exfoliation and stacking techniques …

Pressure-Induced Phase Transition And Electronic Structure Changes In Equiatomic Fev, Homero Reyes Pulido

Open Access Theses & Dissertations

Classical molecular dynamics methods can accurately describe a broad set of many-atomssystems. Although more economical, the results given by this framework lack the precision capable of density functional theory (DFT). Therefore, the structural stability of the B2 phase of a body-centered-cubic iron-vanadium (FeV) alloy using DFT on the electronic structure level is analyzed to verify and further explain classical results obtained by our group in this same alloy. Using Quantum Espresso and Phonopy for the computational simulations, the plotted band structure, electronic density of states (eDOS), phonon dispersions, charge density, and Fermi surfaces for various compressed unit cells are presented. …

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 …

Investigation Of Topological Phonons In Acoustic Metamaterials, Wenting Cheng

Dissertations

Topological acoustics is a recent and intense area of research. It merges the knowledge of mathematical topology, condensed matter physics, and acoustics. At the same time, it has been pointed out that quasiperiodicity can greatly enhance the periodic table of topological systems. Because quasiperiodic patterns have an intrinsic global degree of freedom, which exists in the topological space called the hull of a pattern, where the shape traced in this topological space is called the phason. The hull augments the physical space, which opens a door to the physics of the integer quantum Hall effect (IQHE) in arbitrary dimensions. In …

Evolution Of The Magnetic Properties On Van Der Waals Layered Magnets Via Pressure And Proton Irradiation, Rubyann Olmos

Open Access Theses & Dissertations

Probing the magnetism in quasi two-dimensional materials has the potential in driving their properties towards future use in spin electronic based devices. Studying such layered magnets will enable the scientific community to uncover tunable exotic phases such as superconductivity, quantum paramagnetism, etc. This work examines the influence of two types of external perturbations, namely, the pressure and proton irradiation, on the magnetic properties of several compounds in the van der Waals crystal family.

Pressure has been found to induce structural and magnetic phase transitions in many of these materials. Using hydrostatic pressure as a disorderless approach to manipulate the interlayer …

Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey

Graduate Theses and Dissertations

The demand for energy-efficient devices has been growing rapidly due to the need for data-driven technologies and the global energy crisis. As device size approaches the atomic scale, the miniaturization of electronic devices may stop in the near future unless fundamentally new materials or device concepts are developed. The emergent topological materials with exotic properties show remarkable robustness against crystal lattice defects, which are promising for next-generation technology. These materials host exotic properties such as high mobility, large magnetoresistance, chiral anomaly, and surface Fermi arcs, etc. Among various topological materials, the ZrSiS-family materials exhibit two types of Dirac states, which …

Investigation Of Topological Phonons In Discrete Mechanical Metamaterials, Kai Qian

Dissertations

The study of topological mechanical metamaterials is a new emerging field that focuses on the topological properties of artificial mechanical structures. Inspired by topological insulators, topological mechanism has attracted intensive attention in condensed matter physics and successfully connected the quantum mechanical descriptions of electrons with the classical descriptions of phonons. It has led to experiments of mechanical metamaterials possessing topological characteristics, such as topologically protected conducting edges or surfaces without back-scattering. This dissertation presents a new experimental approach for mechanically engineering topological metamaterials based on patterning magnetically coupled spinners in order to localize the propagation of vibrations and evaluate different …

A Study Of The Frustrated Honeycomb Battery Material Na2ni2teo6, Nathan Christopher Episcopo

Open Access Theses & Dissertations

The P2-type layered hexagonal compound Na2Ni2TeO6 with Ni2+ on a honeycomb lattice was synthesized by the standard solid-state route. Structural characterization chemical phase purity was confirmed by Rietveld refinement of laboratory and synchrotron data. The crystal structure refines well in the P63/mcm space group. Single crystal growth trials using the self-flux-melt method were conducted with limited success. The magnetic transition temperature pertaining to Ni2+ lattice was confirmed by analysis of specific heat capacity to be . The magnetic susceptibility remains largely unchanged in magnetic field of and external pressure of . There is an almost linear response in isothermal magnetization …

Study Of Static And Dynamical Properties Of Complex Antiferroelectrics Materials, Kinnary Yogeshbhai Patel

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of the static and dynamical properties of the complex antiferroelectric materials using Effective Hamiltonian method and First principles calculations. In chapter 3, a novel elemental interatomic coupling in perovskite materials which bilinearly couples the antiferroelectric displacements of cations with the rotations of the oxygen octahedra. This new coupling explains a very complex crystal structure of prototypical antiferroelectric PbZrO3. My explanation provides a unified description of many other complex antipolar crystal structures in variety of perovskite materials, including the occurrence of incommensurate phases in some of them. In chapter 4, results and analysis …

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging to …

Exploration Of Novel Ferroelectric Systems: Determination Of The Underlying Mechanisms, Sizhan Liu

Dissertations

Modern environmental and sustainability issues, as well as the growing demand for applications in sensing and data storage, require the discovery and development of new functional materials. Ferroelectrics and multiferroics are materials that have played a central role in this arena. Because the central function of ferroelectrics is governed by spontaneous polarization response, understanding both the electronic and atomic response to external stimuli is important. In this work, a broad set of model systems were explored to determine the fundamental mechanisms involved in the formation of the ferroelectric phase.

Understanding atomic-level changes in structure is important for improving the properties …

First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman

McKelvey School of Engineering Graduate Student Theses & Dissertations

Ceramic materials display a wide variety of valuable properties, such as ferroelectricity, superconductivity, and magnetic ordering, due to the partially covalent bonds which connect the cations and anions. While many breakthroughs have been made by mixing multiple cations on a sublattice, the equivalent mixed-anion ceramics have not received nearly as much attention, despite the key role the anion plays in the materials’ properties. There is great potential for functional ceramics design using anion engineering, which aims to tune the materials properties by adding and removing different types of anions in existing classes of ceramic materials. In this dissertation, I present …

Synthesis Of Graphene Using Plasma Etching And Atmospheric Pressure Annealing: Process And Sensor Development, Andrew Robert Graves

Graduate Theses, Dissertations, and Problem Reports (ETD)

Having been theorized in 1947, it was not until 2004 that graphene was first isolated. In the years since its isolation, graphene has been the subject of intense, world-wide study due to its incredibly diverse array of useful properties. Even though many billions of dollars have been spent on its development, graphene has yet to break out of the laboratory and penetrate mainstream industrial applications markets. This is because graphene faces a ‘grand challenge.’ Simply put, there is currently no method of manufacturing high-quality graphene on the industrial scale. This grand challenge looms particularly large for electronic applications where the …

Development Of Software Tools And Experimental In Situ Electron Spin Resonance For Characterizing The Magnetic And Electrocatalytic Properties Of Transition Metal Chalcogenide Crystals, Jose Armando Delgado

Open Access Theses & Dissertations

Studying the magnetic properties and crystal defects of transition metal chalcogenide crystals is of paramount importance for utilizing them for next generation spintronics devices and hydrogen evolution reaction catalysts. Hydrothermally grown transition metal chalcogenide nanocrystals (MoS2, Ru2S3, Rh2S3, Co2S8) were chosen as catalysts for the hydrogen evolution reaction due to their low dimensionality and previous utilization as catalysts for hydrodesulfurization. The relationship between crystal defect sites and catalytic activity must be discerned to maximize the efficiency of hydrogen production during the hydrogen evolution reaction. ESR spectroscopy was utilized as a spin sensitive technique to study the defects and local changes …

Equation Of State Of H2o Ice Using Melt-Recrystallization, Zachary Michael Grande

UNLV Theses, Dissertations, Professional Papers, and Capstones

The recent surge in exoplanet discoveries due to advancements in astrophysical technology and analysis has brought the reliability of early equation of state measurements into question as they are the limiting factor when modeling composition of these planets. H2O content is among the most important for the search of habitable planets as well as in understanding planetary dynamics and atmosphere formation. Over the last three decades the equation of state of H2O has been investigated with various techniques but, has suffered from anisotropic strain and poor powder statistics resulting in a large discrepancy in equation of state fits. At pressures …

Current-Driven Production Of Vortex-Antivortex Pairs In Planar Josephson Junction Arrays And Phase Cracks In Long-Range Order, Francisco Estellés-Duart, Miguel Ortuño, Andrés M. Somoza, Valerii M. Vinokur, Alex Gurevich

Physics Faculty Publications

Proliferation of topological defects like vortices and dislocations plays a key role in the physics of systems with long-range order, particularly, superconductivity and superfluidity in thin films, plasticity of solids, and melting of atomic monolayers. Topological defects are characterized by their topological charge reflecting fundamental symmetries and conservation laws of the system. Conservation of topological charge manifests itself in extreme stability of static topological defects because destruction of a single defect requires overcoming a huge energy barrier proportional to the system size. However, the stability of driven topological defects remains largely unexplored. Here we address this issue and investigate numerically …

Impedance Spectroscopy Studies Of Yttria Stabilized Zirconia Under Extreme Conditions, Quinlan Blaine Smith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Yttria Stabilized Zirconia (YSZ) is of interest for many industries. Varying amounts of Yttria (Y2O3) can be doped into Zirconia (ZrO2) to create materials with specific characteristics. For instance, 3mol% YSZ (3YSZ) is known to be a super hard material and is used as a coating on drill tips and as an abrasive. Eight mol% YSZ (8YSZ) is commonly used as a solid electrolyte in Solid Oxide Fuel Cells because of its good ionic conducting abilities and stability at high temperatures. In this thesis project, a novel experimental setup was created and used to study the ionic conductivity of (3 …

High-Pressure Properties Of Several Narrow Bandgap Semiconductors From First-Principles Calculations, Andrew Michael Alvarado

UNLV Theses, Dissertations, Professional Papers, and Capstones

The electronic, thermodynamic, and structural properties of three semiconducting materials, ZnO, InN, and PbS, at high pressure are investigated utilizing first-principles calculations based on density function theory. The first two systems, ZnO and InN, crystalize as hexagonal structures at ambient conditions and transition to a cubic structure at higher pressures. The last system, PbS, is cubic at ambient conditions, but transitions to an orthorhombic structure at higher pressure. At ambient conditions, these materials are well known semiconductors with vast amount of research and a variety of wide ranging applications in electrical devices. However, there is a lack of understanding of …

High Pressure Behavior Of Mullite-Type Oxides: Phase Transitions, Amorphization, Negative Linear Compressibility And Microstructural Implications, Patricia Kalita

UNLV Theses, Dissertations, Professional Papers, and Capstones

Even though mullite occurs rarely in nature, it is perhaps one of the most important phases in both traditional and advanced ceramics. Existing and emerging applications of mullite and mullite-type materials include: high-temperature composites, aerospace materials, ballistic shielding for military applications and even non-linear optical materials. There are many uncertainties regarding the basic physical properties of mullite-type materials, particularly in terms of their high-pressure structural stability and mechanical behavior that are important to address for emerging applications of mullites as engineering materials. This work is the first reported comprehensive investigation of the high –pressure structural behavior of several different mullites …

Influence Of Microstructure On The Propagation Of Fatigue Cracks In Inconel 617, Benjiman Michael Albiston

Boise State University Theses and Dissertations

Inconel 617 is a candidate material for use in the intermediate heat exchanger of the Next Generation Nuclear Plant. Because of the high temperatures and the fluctuations in stress and temperature, the fatigue behavior of the material is important to understand. The goal of this study was to determine the influences of the microstructure during fatigue crack propagation. For this investigation, Inconel 617 compact tension samples, fatigue tested by Julian Benz at the Idaho National Laboratory, were obtained. The testing conditions included two environments at 650 °C (lab air and impure-He) and varied testing parameters including: loading waveform (triangular, trapezoidal), …

Scaling Of The Coercive Field In Ferroelectrics At The Nanoscale, R. V. Gaynutdinov, M. Minnekaev, S. Mitko, A. L. Tolstikhina, A. Zenkevich, Stephen Ducharme, Vladimir M. Fridkin

Stephen Ducharme Publications

The scaling of the coercive field in ferroelectric films at the nanoscale is investigated experimentally. The scaling in the films of copolymer vinylidene fluoride and BaTiO3 with thickness equal by the order of value to the critical domain nucleus size 1–10 nm reveals deviation from the well-known Kay–Dunn law. At this thickness region coercive field does not depend on thickness and coincides with Landau–Ginzburg–Devonshire value.

Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe

Graduate Theses and Dissertations

A first-principles-based effective Hamiltonian scheme which incorporates coupling between ferroelectric (FE) and antiferrodistortive (AFD) motions is applied to Pb(Zr,Ti)O₃ alloys. It validates the existence of two modes of E symmetry (rather than the single E(1TO) soft mode) in the 50-75 cm^-1 range for temperatures smaller than 200 K and for compositions falling within the Rhombohedral R3c phase. Coupling between long-range-ordered FE and AFD motions is shown to be the cause of the additional mode and more insight into its nature is provided. This scheme is further used to reveal a field-induced anticrossing involving FE and AFD degrees of …

Observed Superspin-Glass Behavior In Ni0.5zn0.5fe2o4 Nanoparticles, Antony Adair

Open Access Theses & Dissertations

In this investigation we seek to identify the magnetic behavior of Ni0.5Zn0.5Fe2O4 nanoparticles though AC-susceptibility and DC-magnetization measurements. Powder x-ray diffraction was performed to determine the purity and average diameter ( ~ 9nm) of the particles. Aditionally, structure was confirmed by comparison through the International Centre for Diffraction Data's Powder Diffraction File [52] (PDF # 08-0234).

Zero-field cooled and field cooled DC magnetization measurements (bifurcation and blocking temperature), as well as M(H) hysteresis (below and above the blocking temperature) lead us to initially suggest that the material may in fact be superparamagnetic. However, further investigation of the real AC susceptibility …