Condensed Matter Physics Commons^™

0th Order Solutions Of The Wavefunctions For The Quantum Elliptical Box And Microstrip Antenna, Nishtha Tikalal

Honors Undergraduate Theses

For a quantum particle confined to a two-dimensional elliptical box or electromagnetic wave in a microstrip antenna, geometrical and boundary condition interplay result in a spectrum of spatial patterns. Due to the asymmetrical nature of the ellipse, we are faced with continuous symmetry reductions, leaving both degenerate and nondegenerate solutions. Here, we present a complete derivation of an analytical solution and visualizations of the fundamental wavefunctions for both Dirichlet and Neumann boundary conditions respectively corresponding to the quantum elliptical box and the elliptical microstrip antenna.

We demonstrate that the eigenmodes, governed by eccentricity, directly correspond to the modal field distributions …

Photocarrier Dynamics In Dielectric And Metal-Dielectric Nanocatalysts In Ambient And Operando Conditions, Sunil Gyawali

Graduate Theses, Dissertations, and Problem Reports (ETD)

Photocatalysis, a promising method for solar-to-chemical energy conversion, relies on sunlight to generate excited charge carriers in catalysts with sufficient lifetimes and mobilities to drive photoreactions. Thin-film semiconductors are essential for reducing charge recombination and enhancing mobility but suffer from a low surface-to-volume ratio problems, resulting in a reduced absorption coefficient and limiting solar-energy-conversion efficiency. Nanostructures address these limitations by enhancing light absorption and surface reactivity. However, efficient photocatalysis also requires that the semiconductor’s band edges align with the redox potential of the desired photoreaction, limiting light absorption to just some of the whole solar spectrum. In hybrid and composite …

Novel Phenomena In Chiral And Disordered Crystals, Zachary Louis Romestan

Graduate Theses, Dissertations, and Problem Reports (ETD)

The concept of symmetry is central to our understanding of the physical world. Core symmetries—comprising time reversal, charge conjugation, spatial inversion, and rotation—are integral in maintaining essential conservation laws. They also play a critical role in the manifestation of new quantum phases that arise when these symmetries are disrupted. At the heart of contemporary research in condensed matter physics is the exploration of how basic symmetries interact with material imperfections. This examination delves deeply into the ways that inherent symmetrical properties and structural anomalies within materials influence each other, providing crucial insights into the field. This dissertation presents an investigation …

Systematic Methodologies For Magnetic Materials Design, Andres Tellez Mora

Graduate Theses, Dissertations, and Problem Reports (ETD)

Understanding and predicting the magnetic behavior of materials from first principles is one of the central challenges in condensed matter physics. This dissertation presents a systematic framework that bridges ab initio calculations, many-body physics, and effective spin models to analyze magnetic materials in particular, but also more general quantum systems. Starting from the electron many-body Hamiltonian and the second quantization formalism, we derive Density Functional Theory (DFT) and explain how magnetic properties emerge from exchange interactions and can be interpreted as perturbations to the magnetization density. To capture these effects efficiently, we construct Heisenberg models from first principles using the …

Quantum-Mechanical Definition Of The Classical Scalar Potential In Schrödinger-Pauli And Schrödinger Theory, Viraht Sahni

Publications and Research

According to the Bohr correspondence principle, the external temporal scalar potential in the classical equation of motion is replicated in quantum theory as a multiplicative operator. An equivalent quantum-mechanical definition of the scalar potential in Schrödinger-Pauli/Schrödinger theory is provided. The potential is a known universal functional of the wave function. At each instant of time, it is the work done in a conservative “classical” field representative of internal properties of the system: Pauli and Coulomb correlations, kinetic effects, the density, the Lorentz force, an internal magnetic component, and the current density response. The Hamiltonians are thus rewritten in a …

Characterization And Optimization Of Sand And Tung Oil-Based Resins For Binder-Jet 3d Printing, Daniel I. Ajiola

College of Graduate Studies: Theses & Dissertations

Binder-jet 3D printing as a transformative technology in additive manufacturing, offers the ability to fabricate complex structures with diverse materials. This thesis investigates the use of a sustainable tung oil-based resin to create composites, exploring the potential for an eco-friendly alternative to synthetic binders.

The aim of this research is to develop and characterize a bio-based resin formulation, using tung oil as the primary binder, for application in binder-jet 3D printing with sand as the reinforcement. The resin formulation was prepared by combining tung oil, n-butyl methacrylate, divinylbenzene, and di-tert-butyl peroxide in precise proportions, ensuring a balanced mixture that supports …

A Fault-Tolerant Exchange-Coupled Spin-Ensemble Qubit At Elevated-Temperatures, Aniruddha Chakraborty

Theses and Dissertations

This thesis introduces a novel qubit architecture: the ferromagnetic exchange-coupled spin ensemble qubit (E-qubit), designed to address the noise-induced instability. In this work, the time evolution of the ensemble’s density matrix is studied using the Liouville–von Neumann equation. To benchmark against a single-spin qubit, the gate fidelity of an E-qubit is computed in the presence of thermal noise. Coherence time is also analyzed under identical thermal condition and a linear scaling is observed with qubit size . The results show that, at 6 K , the gate fidelity error (0.7 % ) of the seven- spin ensemble is an order …

Periodic Trends In The Electronic And Magnetic Structure Of Superatomic 3d Transition Metal Chalcogenide Clusters, Gabriel Bohannon

Theses and Dissertations

We have systematically investigated the electronic structure of octahedral transition metal chalcogenide clusters, TM₆S₈(CO)₆, in which the transition metal atoms are from the 3d series in order to identify if periodic properties emerge. We were motivated by the identification of closed electronic shells with electron counts of 96, 100 and 114 in similar clusters from the 4d and 5d transition metal series. Further motivation was the finding of a dual-shell closing in the Fe₆S₈(CN)₆^5- cluster. This cluster is stabilized with a large spin magnetic moment due to the …

Effects Of A-Site Cation Structure And B-Site Metal On Optical And Electronic Properties Of 2d Ruddlesden-Popper Phase Tin-Based Hybrid Perovskites, Henry Pruett

Theses and Dissertations--Chemistry

Organic metal halide perovskites (HPs) are attractive materials for a variety of electronic applications due to their low cost, tunable band gaps, excellent charge transport properties, and high photoluminescence efficiency. As such, HPs are being investigated for use in solar cells, photodetectors, X-ray detectors, light emitting diodes, field effect transistors, lasers, resistive random-access memory, etc. Currently the most popular metal used in HPs is lead, but the use of lead comes with the potential for heavy metal exposure. Tin-based perovskites offer a less hazardous alternative, but their optoelectronic properties lag behind those of lead and less work has been done …

Quantum Hall Phases In Monolayer Graphene, Jincheng An

Theses and Dissertations--Physics and Astronomy

In the presence of a perpendicular magnetic field, monolayer graphene at and near charge neutrality forms a quantum Hall ferromagnet—a correlated electronic state where the interplay of interactions, spin, and valley degrees of freedom leads to spontaneous symmetry breaking. While the dominant Coulomb interaction has $SU(4)$ symmetry, the ground state is ultimately determined by subdominant terms: residual lattice-scale anisotropic interactions, Zeeman, and sublattice couplings. Relaxing the ultra-short-range limit of anisotropic interactions unveils diverse symmetry-breaking phases in both integer and fractional quantum Hall regimes. Haldane pseudopotentials, which quantify interactions between particle pairs with fixed relative angular momentum, provide a readily parameterizable …

Structural And Physical Properties Of Solid State Materials: Cegage, Cssni3, And Yb2Si2-XGeXAl, Liam J. Scanlon

Theses and Dissertations--Physics and Astronomy

We present studies of three independent solid state materials: CeGaGe, CsSnI₃, and Yb₂Si_2-xGe_xAl.

CeGaGe is a magnetic candidate Weyl semimetal. Magnetic Weyl semimetals have possible technological applications due to their electronically conducting bulk states, magnetic states, and topologically protected surface states. We grew single crystals of CeGaGe using the zone-refinement method and flux-growth method. With single crystal X-ray and neutron diffraction, we found that zone-refined CeGaGe crystallizes with the I4₁md symmetry (space group 109). With single crystal X-ray diffraction, we found that flux-grown samples of CeGaGe have the …

Investigating The Roles Of Intrinsic Point Defects And Transition Metal Doping In Monolayer And Bulk Tis2, Patrick J. Keeney

UNF Graduate Theses and Dissertations

Within this thesis, the magnetic and electronic properties of various 1T-TiS₂ systems are thoroughly examined using density functional theory (DFT) and scanning tunneling microscopy (STM). Formation energies and electronic implications of intrinsic point defects in bulk TiS₂ and monolayer TiS₂ are analyzed by approximating a computational monolayer of TiS₂ as the surface layer of a bulk sample. This approximation is validated given that intralayer covalent bonding dominates interlayer van der Waals interactions. We conclude that the most energetically favorable intrinsic defects are Ti atoms settling above the outermost S plane and S vacancies. In addition, the …

Frustrated Quantum Magnetism: The Interplay Of Isotropic And Anisotropic Interactions With Application To Α-Rucl3, Evan M. Wilson

UNF Graduate Theses and Dissertations

We investigate how anisotropic spin interactions, including Dzyaloshinskii–Moriya and Kitaev terms, manifest across quantum spin systems ranging from a single S = 1/2 dimer to molecular spin clusters and layered magnetic materials. Beginning with an exact analysis of the spin dimer, we demonstrate how singlet–triplet mixing induced by Dzyaloshinskii–Moriya interaction directly influences both thermodynamic observables and inelastic neutron scattering spectra. These microscopic fingerprints are then extended to trimer, tetramer, and tetrahedron geometries, where field-induced phase transitions and heat capacity anomalies reveal the interplay between isotropic Heisenberg and anisotropic Kitaev exchanges. In the frustrated zigzag honeycomb lattice, we show that a …

Niobium Titanium Nitride Thin Film Deposition, Optimization, And Characterization, Hudson Horne

UNF Graduate Theses and Dissertations

Superconducting thin film devices such as Josephson junctions are a staple of cutting-edge quantum and classical computing architectures. Functional devices require optimized materials with properties suited to the device application; properties like superconducting critical temperature, critical current density, resistivity, and surface roughness are important depending on the intended device application. Niobium titanium nitride (NbTiN), a fcc transition metal nitride, is a promising material for these applications, with a superconducting critical temperature among the highest of the superconductors described by Bardeen, Cooper, and Schreiffer (BCS) theory. NbTiN has excellent mechanical and electrical characteristics and is easily deposited via reactive magnetron sputtering …

Synthesis And Characterization Of Doped Rare-Earth Zinc Alloys, Partha Das

Graduate Theses/Dissertations

Rare-Earth-Zinc (RE-Zn) alloys doped with manganese represent a promising class of materials with diverse applications in magnetic, electronic, and thermoelectric devices. These alloys hold significant potential owing to the unique combination of rare-earth elements' properties with the versatility of zinc, augmented by manganese doping. In this study, I present the successful synthesis of ErMn_0.2Zn_11.8 alloys, achieved through self-flux method. The synthesized crystals were characterized using electron dispersive spectroscopy (EDS) and single crystal X-ray diffraction (XRD). Additionally, magnetic measurements were performed to investigate the magnetic properties. Future plans include DFT calculations and comparison study between Rare-Earth-Zinc alloys with …

Effect Of Reduction Annealing On The Structural And Electrical Properties Of Α-Moo3 Thin Films, Sandipani Ghosh

Graduate Theses/Dissertations

2D layered molybdenum oxide has attracted significant research interest due to its tuneable bandgap and diverse structural, chemical, electrical, and optical properties influenced by growth parameters and synthesis techniques. In this study, the effects of reduction annealing on the structural and electrical properties of few-layer MoO₃ thin films, deposited on Si/SiO₂ substrates via pulsed laser deposition, were investigated. X-ray diffraction revealed nanocrystalline structures with a preferred (020) orientation, reduction annealing produced highly crystalline orthorhombic α-MoO₃ with reduced unit cell volume. FESEM/EDS provided detailed analyses of microstructures and elemental compositions. Raman spectroscopy confirmed the orthorhombic structure, with characteristic peaks at 667, …

Effect Of Temperature And Rhenium Content In Precipitates On Dispersion Hardening Of Tungsten, Yulia R. Sharapova, Arseny M. Kazakov, Elena A. Korznikova, Alexandr Zinovev, Dmitry Terentyev, Sergey V. Dmitriev

Karbala International Journal of Modern Science

Tungsten (W) is being developed as a plasma-facing material for fusion reactors, where it is subjected to MeV neutron irradiation, low-energy helium isotope particles, and high temperatures. These conditions lead to the formation of point defects, dislocation loops, voids, and transmutation into rhenium (Re) and osmium (Os), which form precipitates that significantly impact dislocation motion and increase hardness. This study uses molecular dynamics modeling to examine the interaction between an edge dislocation and Re-rich particles of various stoichiometries, specifically coherent bcc-phase particles and noncoherent σ-phase precipitates. Results show that shear stress increases by approximately 20-40% with larger particle size (3-5 …

Ge/Sige Quantum Wells: Material For The Post-Moore Era, Troy Alexander Hutchins-Delgado

Optical Science and Engineering ETDs

This dissertation demonstrates high-quality germanium quantum wells on a 200 mm silicon wafer platform, enabling novel device possibilities. Partnering with a commercial silicon-germanium epitaxy supplier, we obtained shallow, undoped germanium quantum wells with high-crystalline quality, confirmed through x-ray diffraction, secondary ion mass spectroscopy, high-resolution scanning transmission electron microscopy, and energy dispersive x-ray spectroscopy. Hall bar devices fabricated on single quantum wells revealed that surface preparation can tune transport properties while maintaining peak mobilities around 10⁵ cm²V⁻¹s⁻¹. Manganese-germanide spintronic contacts were integrated via solid-state reaction, with contact quality assessed through Schottky diodes, transfer length …

Characterizing 2d Materials Using Positron Impact Induced Electron Spectroscopy And Development Of A Novel Thin Film Zno Based Piezo-Photonic Detector For Cryogenic And Mems Applications, Pratyanik Sau

2024 Fall Honors Capstone Projects - Archive

Surface analytical techniques are essential for engineering nano-detectors allowing characterization of their chemical composition, electromechanical properties, and physical structure. In the first chapter, the positron impact-induced secondary electron (PIISE) energy spectra and yield from single-layer graphene (SLG) and multi-layer graphene (MLG) grown on a polycrystalline Cu substrate have been presented. In the second chapter, an extensive catalog of Positron Induced Auger Spectra is presented to aid in the analysis of elemental composition of various materials. Additionally, in the third chapter, a novel detection scheme utilizing the piezo-pyroelectric properties of Zinc Oxide (ZnO) thin films have been demonstrated for its application …

Charge Transport In Two Dimensional Systems With Arbitrary Rashba And Dresselhaus Interactions, Abhishek Khanal

All Dissertations

In this thesis we discuss two different transport phenomena that occur in a two-dimensional electron system endowed with linear Rashba and Dresselhaus spin-orbit interactions of arbitrary values. First, in a semiclassical formalism we calculate the non-linear charge currents that appear in response to the simultaneous application of in-plane electric and magnetic fields. Working in a rotated system of coordinates that introduces $\alpha \pm \beta$ as effective couplings on perpendicular directions, we formulate a transport theory that relies on a second order distribution function derived in a local energy approximation and on chiral dependent relaxation times to show that the currents …

Single-Shot Mev-Resolution Hard X-Ray Spectrograph For Cavity-Based X-Ray Free Electron Laser, Keshab Kauchha

Dissertations

The Cavity-Based X-ray Free Electron Laser (CBXFEL) is a possible future direction in the development of fully coherent hard X-ray sources of high spectral brilliance, a narrow spectral bandwidth of ≃ 1 − 100 meV, and a high repetition rate of ≃ 1 MHz. A diagnostic tool is required to measure CBXFEL spectra with a meV resolution on a shot-to-shot basis.

The CBXFEL hard X-ray spectrograph is designed to image 9.831 keV X-rays in a ≃ 200 meV spectral window and with a spectral resolution of a few meV using an LCLS XFEL (Linac Coherent Light Source X-ray Free Electron …

Multiphase Electrochemical Li-Ion Intercalation In Iron Selenite: Evidence Of Fe³⁺/⁴⁺ Redox And Single-Crystal-To-Single-Crystal Topochemical Transformation During Chemical Lithiation, Sutapa Bhattacharya, Aleksandr V. Chernatynskiy, Amitava Choudhury

Physics Faculty Research & Creative Works

An iron selenite-based cathode compound, LiFe(SeO₃)₂, is synthesized via a simple hydrothermal route. The bulk purity of the compound is confirmed by powder X-ray diffraction (PXRD), Mössbauer spectroscopy, and Fourier transform infrared spectroscopy (FTIR). The crystal structure determined from the single-crystal X-ray diffraction and Rietveld refinement of synchrotron PXRD data perfectly matches the previously reported structure in the I4̅2d space group. The crystal structure is built up of edge-sharing of FeO₆ octahedra and LiO₄ tetrahedra interconnected by SeO₃ trigonal pyramidal units, forming a three-dimensional open framework network with channels through all three axes. …

Insulator-To-Metal Transition And Isotropic Gigantic Magnetoresistance In Layered Magnetic Semiconductors, Gokul Acharya, Bimal Neupane, Chia-Hsiu Hsu, Xian P. Yang, David Graf, Eun Sang Choi, Krishna Pandey, Md Rafique Un Nabi, Santosh Karki Chhetri, Rabindra Basnet, Sumaya Rahman, Jian Wang, Zhengxin Hu, Bo Da, Hugh O.H. Churchill, Guoqing Chang, M. Zahid Hasan, Yuanxi Wang, Jin Hu

Physics Faculty Publications and Presentations

Magnetotransport, the response of electrical conduction to external magnetic field, acts as an important tool to reveal fundamental concepts behind exotic phenomena and plays a key role in enabling spintronic applications. Magnetotransport is generally sensitive to magnetic field orientations. In contrast, efficient and isotropic modulation of electronic transport, which is useful in technology applications such as omnidirectional sensing, is rarely seen, especially for pristine crystals. Here a strategy is proposed to realize extremely strong modulation of electron conduction by magnetic field which is independent of field direction. GdPS, a layered antiferromagnetic semiconductor with resistivity anisotropies, supports a field-driven insulator-to-metal transition …

Experimental Characterization, Computational Investigation, And Structure-Property–Activity Relationship Studies Of Nickel Ferrite Nanostructures, Ali Ben Ahmed

Polytechnic Journal

Intending to predict the multifunctionality of Nickel ferrite in several technological and medical fields, we have prepared nickel ferrite nanostructure by coprecipitation method. X-ray Diffraction (XRD) is used to determine the crystalline structure and phase composition of materials by analyzing the pattern of X-rays scattered by the atoms within the material. Fourier Transform Infrared Spectroscopy (FTIR) provides information about a material's chemical bonds and functional groups by analyzing how it absorbs infrared light at various wavelengths. Scanning Electron Microscopy (SEM) offers high-resolution images of the material's surface morphology and texture by scanning it with a focused beam of electrons. Transmission …

Three-Dimensional Printing Limitations Of Polymers Reinforced With Continuous Stainless Steel Fibres And Curvature Stiffness, Alison J. Clarke, Andrew N. Dickson, Vladimir Milosavljevic, Denis P. Dowling

Articles

This study investigates the printability limitations of 3D-printed continuous 316L stainless steel fibre-reinforced polymer composites obtained using the Materials Extrusion (MEX) technique. The objective was to better understand the geometric printing limitations of composites fabricated using continuous steel fibres, based on a combination of bending stiffness testing and piezoresistive property studies. The 0.5 mm composite filaments used in this study were obtained by co-extruding polylactic acid (PLA), with a 316 L stainless steel fibre (SSF) bundle. The composite printability limitations were evaluated by the printing of a series of ’teardrop’ shaped geometries with angles in the range from 5◦ to …

Modeling Permittivity Measurements Of Thin Film Materials Versus Film Thickness, Jr Dennison, Cameron Eggleston

Journal Articles

Measured permittivity of thin film polymeric samples were substantially less for thin samples, asymptotically approaching bulk values above ~500 μm. For ~25 μm samples the observed permittivities were as much as 50% less than for bulk measurements. This behavior has been studied for four common homogeneous polymeric materials for sample thickness in the range of ~10 μm to > 1000 μm. To quantify these observations, an empirical single-parameter model was developed to correct measured permittivity of thin samples based on an effective stray capacitance in series with the samples to compensate for effects attributed to instrumentation.

Substrate Interference And Strain In The Second-Harmonic Generation From Mose2 Monolayers, Sudeep Puri, Sneha Patel, Jose Luis Cabellos, Luis Enrique Rosas-Hernandez, Kaitlin Reynolds, Hugh O.H. Churchill, Salvador Barraza-Lopez, Bernardo S. Mendoza, Hiroyuki Nakamura

Physics Faculty Publications and Presentations

Nonlinear optical materials of atomic thickness, such as non-centrosymmetric 2H transition metal dichalcogenide monolayers, have a second-order nonlinear susceptibility (χ⁽²⁾) whose intensity can be tuned by strain. However, whether χ⁽²⁾ is enhanced or reduced by tensile strain is a subject of conflicting reports. Here, we grow high-quality MoSe₂ monolayers under controlled biaxial strain created by two different substrates and study their linear and nonlinear optical responses with a combination of experimental and theoretical approaches. Up to a 15-fold overall enhancement in second-harmonic generation (SHG) intensity is observed from MoSe₂ monolayers grown on SiO₂ when …

First-Principles Calculations Of Thermoelectric Properties Of Fe-Based Full- Heusler Fe2cusi, Ai Nurlaela, Dwi Nanto, Anugrah Azhar, Elvan Yuniarti, Tony Kristiantoro, Dedi Dedi

Makara Journal of Science

A first-principle study using density functional theory (DFT) and Boltzmann transport was conducted to evaluate the thermoelectric (TE) properties of an Fe-based full-Heusler alloy. The compound studied is Fe₂CuSi with a Cu₂MnAl-type structure. The electronic properties of Fe₂CuSi were obtained using DFT calculations by running the Quantum ESPRESSO (QE) package. By contrast, TE properties, including electron thermal conductivity, electric conductivity, and Seebeck coefficient, were computed using a semi-empirical Boltzmann transport model solved through the BoltzTraP software at 50–1,500 K temperature range. The spin-orbit coupling effect on these properties was also evaluated, demonstrating notable effects …

Shear Viscosity Of Quasi One-Dimensional Bec Tubes And Entanglement Negativity Conditions, Camilla Polvara

Dissertations, Theses, and Capstone Projects

Shear Viscosity of Quasi One-dimensional BEC Tubes

We consider layered Bose-Einstein condensates interacting via contact intra-condensate interacions and dipolar inter-condensate potentials, both of which dominate intercondensate tunneling (which we neglect for simplicity). For this system, we compute the normal modes, we study its localization properties by numerically computing the inverse participation ratio, and we compute the inter-tube shear viscosity.

Entanglement Negativity Conditions

This project explores bounds on entanglement negativity using operator inequalities, building on the results of [1]. We are looking for a way to quantify entanglement, as an alternative to calculating the full negativity, which would otherwise require the …

Design, Fabrication, And Spectroscopy Of Photocatalytic Materials In Visible Spectrum, Yamuna Paudel

Dissertations, Theses, and Capstone Projects

Heterogeneous photocatalysis has attracted research interest in sustainable energy technologies. However, achieving high photocatalytic efficiency from visible light-absorbing semiconductors is challenging due to their weak absorption, transport losses, and low activity. While multilayer approaches have been developed to enhance the surface reactivity and stability independent of electronic factors, a comprehensive framework for optimizing light-matter interactions has not yet been established. Here, we introduce a photonic strategy using semiconductor metasurfaces, which is highly effective in enhancing the photocatalytic activity of GaAs, a high-performance semiconductor with a near-infrared bandgap. Our engineered pillar arrays with heights of ~150 nm exhibit Mie resonances near …