Condensed Matter Physics Commons^™

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 …

Interplay Of Magnetic Impurities And Superconductivity In Topological Materials, Didier Ndengeyintwali

Dissertations, Theses, and Capstone Projects

The interplay of superconductivity and magnetism has been a long-standing topic of interest since the discovery of superconductivity. In recent years it has been shown that topological superconductivity, which has promising applications such as in topological quantum computing, could result from such interplay. Motivated by the later results I study the effect of magnetic impurities in superconducting doped topological insulators, such as Iron based topological superconductors. I show that topological character of parent materials could lead to modifications in the structure of magnetic impurity induced in-gap states. Moreover, the superconductivity induced interaction between magnetic impurities in doped topological insulator would …

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 …

Mg3sb2-Based Materials For Mid-Temperature Thermoelectric Application, Veera Prabhu K

Theses and Dissertations

Recently, there has been growing research in the scientific community regarding the conversion of heat flux into electricity, which has proven effective in mitigating energy crises. Solid-state thermoelectric (TE) devices use the Seebeck effect to efficiently convert waste heat into electricity. Traditional materials contain toxic, rare, and expensive elements like Lead, Tellurium, and Germanium that restrict large-scale production, commercialization, and practical utilization.

Recently, Mg3Sb2-based materials have been attractive due to their remarkable characteristics, including abundance, affordability, and environmental friendliness. Furthermore,n-type Mg3Sb2-based materials exhibit high TE performance because of their high band degeneracy in the conduction band minimum (CBM), and low …

Settingsorder Article Reprints Open Accessarticle A Model To Account For The Effects Of Load Ratio And Hydrogen Pressure On The Fatigue Crack Growth Behavior Of Pressure Vessel Steels, Ashok Saxena, Kip O. Findley

Mechanical Engineering Faculty Publications and Presentations

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure P_H2 on the hydrogen-assisted fatigue crack growth rate (HA-FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The "transient regime" is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The "steady-state" behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and P_H2 as being functionally separable. In the transient …

Surface Patterning On Zirconia Dental Implants Via Laser-Induced Shockwave Imprinting, Inomjon Majidov

Masters Theses & Specialist Projects

Zirconia is rapidly becoming a preferred alternative to titanium in dental applications, primarily due to its aesthetic resemblance to natural teeth. This material’s tooth-like color avoids the aesthetic issues associated with the grey metal tint of titanium implants. Additionally, zirconia is hypoallergenic, making it an ideal choice for patients with metal sensitivities or allergies. Despite these advantages, zirconia generally exhibits lower biocompatibility and osseointegration compared to titanium implants. This study investigates laser-assisted, controlled imprinting technique on zirconia surfaces to enhance these properties. Our research used zirconia pellets, produced from powdered monoclinic zirconia pressed in a pellet press machine. Two methods …

Synthesis And Characterization Of A Zirconium (Zr) Thin Film On Si(100) Via Pulsed Laser Deposition, Zikrulloh Khuzhakulov

Masters Theses & Specialist Projects

This study investigates the synthesis and characterization of zirconium (Zr) thin films deposited on Si(100) substrates using pulsed laser deposition (PLD). The effects of two laser wavelengths (1064 nm and 532 nm), various substrate temperatures (25 °C, 300 °C, and 500 °C), and different laser fluences (0.25, 0.5, 1.0 J/cm²) on the properties of the Zr films were examined. Results indicated that smoother films were achieved with the 1064 nm wavelength, while surface roughness increased with higher fluences. Optimal crystalline films were obtained at a substrate temperature of 300 °C for both wavelengths. X-ray diffraction (XRD), scanning electron microscopy (SEM), …

Tuning Electronic Transport And Magnetic Properties Of Layered Magnetic Materials, Md Rafique Un Nabi

Graduate Theses and Dissertations

Two-dimensional magnetic materials (2DMMs) have gained significant interest due to their potential for novel physical phenomena and device applications. Mn_2-xZn_xSb, with its tunable magnetic properties and stable tetragonal layered structure, offers a rich platform for exploring these phenomena. The introduction of Zn into the Mn₂Sb lattice efficiently tunes magnetic and electronic properties, making it a compelling candidate for high-performance spintronic devices.

With this motivation, we synthesized Mn_2-xZn_xSb (0 ≤ x ≤ 1) single crystals using a flux method. Mn2Sb exhibits ferrimagnetic order below 550 K with antiparallel spins aligned along …

Modeling Study Of Si3N4 Waveguides On A Sapphire Platform For Photonic Integration Applications, Diandian Zhang, Shui-Qing Yu, Gregory J. Salamo, Richard A. Soref, Wei Du

Electrical Engineering and Computer Science Faculty Publications and Presentations

Sapphire has various applications in photonics due to its broadband transparency, high-contrast index, and chemical and physical stability. Photonics integration on the sapphire platform has been proposed, along with potentially high-performance lasers made of group III–V materials. In parallel with developing active devices for photonics integration applications, in this work, silicon nitride optical waveguides on a sapphire substrate were analyzed using the commercial software Comsol Multiphysics in a spectral window of 800~2400 nm, covering the operating wavelengths of III–V lasers, which could be monolithically or hybridly integrated on the same substrate. A high confinement factor of ~90% near the single-mode …

Quantum Circuit Optimization Leveraging Multi-Qubit Exchange Interactions In Spin Qubits, Miguel Gonzalo Rodriguez

Open Access Theses & Dissertations

This thesis looks into how multi-qubit exchange interactions can be used to improve quantumcircuits in semiconductor quantum devices. Pairwise interactions between qubits are a common tenet of traditional quantum computing paradigms, although they can impose complexity and depth constraints on circuits. In order to improve the efficiency and scalability of quantum circuits, this research explores the theoretical underpinnings and practical uses of multi-qubit interactions. A thorough theoretical framework is formulated, outlining the mathematical equivalence of a unitary matrix representing interactions between multiple qubits. We obtain the timeevolution operator by analyzing the Hamiltonian of three spin-1/2 particles. A number of quantum …

Investigations Of Sulfurized Polymers For Their Use In Lithium-Sulfur Cells, Alan M. Rowland

All Theses

With the invention of the Lithium-Ion cell in the latter half of the 20th century, there has been a continued endeavor for innovation in compact energy-storage. Combined with the ever-growing need to move away from fossil fuels, electrochemical energy storage has seen a myriad of research projects in the pursuit of finding the ‘beyond-lithium’ cell. One of these projects that I personally assisted with was lithium-sulfur cells, which allow for a significantly greater energy storage capacity when compared to lithium-ion cells. In investigating a popular cathode in lithium-sulfur cells, sulfurized polyacrylonitrile (SPAN), it was hinted that there may be more …

Electrochemical Characteristics Of Bio-Derived And Silicon-Based Materials For Lithium Ion And Lithium Sulfur Batteries, Nawraj Sapkota

All Dissertations

The increasing demand for advanced batteries, driven by automotive and energy storage needs, emphasizes the need for improved energy density, longevity, and cost-effectiveness. While lithium-ion batteries (LIBs) offer high energy density, their traditional anode and cathode materials are reaching their limits. Innovations in battery chemistry, particularly using sulfur cathodes and silicon-based anodes, are crucial. Sulfur and silicon are attractive due to their abundance, environmental friendliness, and higher theoretical capacities. This research aims to enhance the electrochemical performance of lithium-sulfur batteries using three-dimensional architectures and solid-state electrolytes, and to improve silicon-based materials by modifying their surface architectures.

Chapter 1 reviews the …

Studying The Chemistry-Property Relationship In Magnetic And Optical Materials: Spin S = 3/2 Systems Of Neodymium, Manganese, And Cobalt Oxyanions, Xudong Huai

All Dissertations

This dissertation describes the design and tunability of new magnetic and optical materials, emphasizing the intricate relationship between their crystal structures and their optical, electronic, and magnetic properties.

Two new frustrated magnets, ANd(SO₄)₂ (A = Rb, Cs), were designed and synthesized to examine the influence of the the counter cation A site in Nd lanthanide materials featuring a distorted triangular magnetic lattice with S = 3/2. This work demonstrates how the tunability of magnetic and photoluminescent properties can be achieved through the A sites, with findings validated through density functional theory calculations.

AMnTeO₆ (A = Ca, …

Quantum Classical Algorithm For Solving The Hubbard Model Via Dynamical Mean-Field Theory, Anshumitra Baul

LSU Doctoral Dissertations

Modeling many-body quantum systems is widely regarded as one of the most promising applications for near-term noisy quantum computers. However, in the near term, system size limitation will remain a severe barrier for applications in materials science or strongly correlated systems. A promising avenue of research is to combine many-body physics with machine learning for the classification of distinct phases. I present a workflow that synergizes quantum computing, many-body theory, and quantum machine learning (QML) for studying strongly correlated systems. In particular, it can capture a putative quantum phase transition of the stereotypical strongly correlated system, the Hubbard model. Following …