Condensed Matter Physics Commons^™

Dreams Of Molecular Beams: Indium Gallium Arsenide Tensile-Strained Quantum Dots And Advances Towards Dynamic Quantum Dots (Moleculare Radiorum Somnia: Indii Gallii Arsenicus Tensa Quanta Puncta Et Ad Dinamicae Quantae Puntae Progressus), Kevin Daniel Vallejo

Boise State University Theses and Dissertations

Through the operation of a molecular beam epitaxy (MBE) machine, I worked on developing the homoepitaxy of high quality InAs with a (111)A crystallographic orientation. By tuning substrate temperature, we obtained a transition from a 2D island growth mode to step- ow growth. Optimized MBE parameters (substrate temperature = 500 °C, growth rate = 0.12 ML/s and V/III ratio ⩾ 40) lead to growth of extremely smooth InAs(111)A films, free from hillocks and other 3D surface imperfections. We see a correlation between InAs surface smoothness and optical quality, as measured by photoluminescence spectroscopy. This work establishes InAs(111)A as a platform …

Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa

Graduate Theses and Dissertations

This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …

Towards Long Term Colloid Suspension In A Vertically Rotated System., Md Mahmudur Rahman

Electronic Theses and Dissertations

Within a colloidal suspension gravity may compromise the observation of governing physical interactions, especially those that are weak and/or take significant time to develop. Conducting the experiment in a long-term microgravity environment is a viable option to negate gravitational effects, though significant resources are required to do so. While it may not be possible to simulate long-term microgravity terrestrially, particles can resist quick sedimentation in a confined suspension system rotating vertically with appropriate rotation speed. The goal of the investigation is to demonstrate the existence of long-term particle suspension regime for a certain colloidal suspension while characterizing colloidal behavior due …

Two-Dimensional Black Phosphorus For Terahertz Emission And Near-Field Radiative Heat Transfer, Mahmudul Hasan Doha

Graduate Theses and Dissertations

The main focus of this work is to investigate two potential optical and optoelectronic applications of black phosphorus (BP): the near-field radiative heat transfer in plasmonic heterostructures with graphene and terahertz emission from multi-layer BP photoconductive antennas. When the separation distance between graphene-black phosphorene is much smaller than or comparable to the thermal wavelength at different temperatures, a near-field radiation heat transfer breaks the Planck blackbody limit. The magnitude of the near-field radiation enhancement acutely depends on the gate voltage, doping, and vacuum gap of the graphene and BP pair. The strong near-field radiation heat transfer enhancement of the specific …

Crystal Structure Prediction Of Materials At Extreme Conditions, Ashley S. Williams

USF Tampa Graduate Theses and Dissertations

The prediction of the structure of a crystal given only the constituent elements is one of the greatest challenges in both materials science and computational science alike. If one were to try to predict a novel crystal by brute force, meaning by arranging the atoms in every possible position of the unit cell and optimizing the geometry to find the energy minima of the potential energy surface, the amount of computer resources required to complete the calculation on the timescale of a few years would vastly exceed the currently installed computational capacity of the entire world. Fortunately, several methods have …

Texturing In Bi2Te3 Alloy Thermoelectric Materials: An Applied Physics Investigation, Oluwagbemiga P. Ojo

USF Tampa Graduate Theses and Dissertations

Thermoelectric devices provide the means for direct conversion between heat and electricity. The device conversion efficiency, or performance, is directly related to the thermoelectric figure of merit, ZT, of the working materials. Bismuth telluride alloys are the materials currently in use in most thermoelectric devices for near room temperature solid-state refrigeration and power conversion applications. The vast majority of publications in the literature on thermoelectricity report on investigations towards developing new materials with enhanced thermoelectric properties, however Bi₂Te₃ alloys have been used in thermoelectric devices for decades.

In this thesis, an investigation of crystallographic texturing on large …

Vermiculations In Painted Caves: New Inputs From Laboratory Experiments And Field Observations, Perrine Freydier, Eric Weber, Jérôme Martin, Pierre-Yves Jeannin, Béatrice Guerrier, Frédéric Doumenc

International Journal of Speleology

Vermiculations are aggregates of small particles commonly found on cave walls. They are a major concern for the conservation of painted caves, as they can potentially alter valuable prehistoric cave paintings. A previous rheological study of fine sediment deposits on cave walls revealed that this material can undergo a solid-to-liquid transition triggered by variations in the chemical composition of the water film on the wall. Such a transition could occur at the origin of vermiculations by allowing the sediment to flow under low mechanical stress. In this work, we provide quantitative information on the conditions leading to this transition and …

High-Frequency And Below Bandgap Anisotropic Dielectric Constants In Α-(AlXGa1-X)2O3 (0≤X≤1), Matthew Hilfiker, Ufuk Kilic, Megan Stokey, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Rafal Korlacki, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A Mueller matrix spectroscopic ellipsometry approach was used to investigate the anisotropic dielectric constants of corundum α-(Al_xGa_1-x)₂O₃ thin films in their below bandgap spectral regions. The sample set was epitaxially grown using plasma-assisted molecular beam epitaxy on m-plane sapphire. The spectroscopic ellipsometry measurements were performed at multiple azimuthal angles to resolve the uniaxial dielectric properties. A Cauchy dispersion model was applied, and high-frequency dielectric constants are determined for polarization perpendicular (ε_∞,⟂) and parallel (ε_∞,∥) to the thin film c-axis. The optical birefringence is negative throughout the …

A Study Of Magnetism And Possible Mixed-State Superconductivity In Phosphorus-Doped Graphene, Julian E. Gil Pinzon

FIU Electronic Theses and Dissertations

Evidence of superconducting vortices, and consequently mixed-state superconductivity, has been observed in phosphorus-doped graphene at temperatures as high as 260 K. The evidence includes transport measurements in the form of resistance versus temperature curves, and magnetic measurements in the form of susceptibility and magnetic Nernst effect measurements. The drops in resistance, periodic steps in resistance, the appearance of Nernst peaks and hysteresis all point to phosphorus-doped graphene having a broad resistive region due to flux flow as well as a Berezinskii-Kosterlitz-Thouless (BKT) transition at lower temperatures.

The observation of irreversible behavior in phosphorus-doped graphene under the influence of a thermal …

Optical Phonon Modes, Static And High-Frequency Dielectric Constants, And Effective Electron Mass Parameter In Cubic In2O3, Megan Stokey, Rafal Korlacki, Sean Knight, Alexander Ruder, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Yuxuan Zhang, Hongping Zhao, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

A complete set of all optical phonon modes predicted by symmetry for bixbyite structure indium oxide is reported here from a combination of far-infrared and infrared spectroscopic ellipsometry, as well as first principles calculations. Dielectric function spectra measured on high quality, marginally electrically conductive melt grown single bulk crystals are obtained on a wavelength-by-wavelength (also known as point-by-point) basis and by numerical reduction of a subtle free charge carrier Drude model contribution. A four-parameter semi-quantum model is applied to determine all 16 pairs of infrared-active transverse and longitudinal optical phonon modes, including the high-frequency dielectric constant, ε_∞=4.05±0.05. The …

First-Principles Density Functional Theory Studies On Perovskite Materials, Aneer Lamichhane

Dissertations

Perovskites are a family of materials with a diverse combination of different elements. As a consequence, they exhibit numerous functionalities such as pyroelectric, piezoelectric, ferroelectric, and ferromagnetic with applications in photovoltaic cells, LEDs, superconductivity, colossal magneto-resistance, and topological insulators. After 2009, perovskites have gained notoriety as suitable materials for solar cells and alternative candidates to silicon-based conventional solar cells. Generally, oxide perovskites exhibit good dielectric properties, halide perovskites display good photonic qualities, and chalcogenide perovskites are used in applications in solid-state lighting, sensing, and energy harvesting. In this dissertation, various types of perovskites ranging from oxide to halide are investigated …

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 …

Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin

Arts & Sciences Electronic Theses and Dissertations

The discovery of bronze as an alloy of copper and tin is arguably the earliest form of material design, dating back thousands of years. In contrast, two-dimensional materials are new to the 21st century. The research presented in this dissertation is at the intersection of alloying and two-dimensional materials. I specifically study a class of two-dimensional materials known as transition metal dichalcogenides (TMDCs). Because of the large number of transition metals, there are many combinations of TMDCs that can be alloyed, making experimental exploration of the phase space of possible alloys unwieldly. Instead, I have applied first-principles methods to study …

Local Dynamics And Atomic-Level Structures In Metallic Liquids And Glasses, Zengquan Wang

Doctoral Dissertations

Structure and dynamics at the atomic level in metallic glasses and liquids are poorly understood when compared to the crystalline solids. For instance, even though viscosity is the basic property of liquids, its atomistic origin is not well elucidated. Also, the physics of the fragility of liquids and the crossover phenomenon is far from full understanding. Earlier, through molecular dynamics (MD) simulations a direct connection was found between the timescale describing the macroscopic viscous behavior, the Maxwell relaxation time (t_M = h/G_∞, h is the shear viscosity and G_∞ is the high-frequency shear modulus) and …

Multi-Scale Computational Modeling Of Metal/Ceramic Interfaces, Abu Shama Mohammad Miraz

Master's Theses

Multi-scale atomistic calculations were carried out to understand the interfacial features that dictate the mechanical integrity of the metal/ceramic nanolaminates. As such, first principles density functional theory (DFT) calculations were performed to understand the electronic and atomistic factors governing adhesion and resistance to shear for simple metal/ceramic interfaces, whereas molecular dynamics (MD) simulations were performed to observe the impact of interfacial structures, such as misfit dislocation network geometries and orientation relationships, on interfacial mechanical properties.

For the DFT investigation, we choose metals with different crystal structures, namely - Cu (fcc), Cr (bcc) and Ti (hcp) along with a variety of …

Voltage-Controlled Magnetic Anisotropy In Antiferromagnetic Mgo-Capped Mnpt Films, P. H. Chang, Wuzhang Fang, T. Ozaki, Kirill Belashchenko

Kirill Belashchenko Publications

The magnetic anisotropy in MgO-capped MnPt films and its voltage control are studied using first-principles calculations. Sharp variation of the magnetic anisotropy with film thickness, especially in the Pt-terminated film, suggests that it may be widely tuned by adjusting the film thickness. In thick films the linear voltage control coefficient is as large as 1.5 and -0.6 pJ/Vm for Pt-terminated and Mn-terminated interfaces, respectively. The combination of a widely tunable magnetic anisotropy energy and a large voltage-control coefficient suggest that MgO-capped MnPt films can serve as a versatile platform for magnetic memory and antiferromagnonic applications.

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 …

Multi-Scale Computational Modeling Of Metal/Ceramic Interfaces, Abu Shama Mohammad Miraz

Doctoral Dissertations

Multi-scale atomistic calculations were carried out to understand the interfacial features that dictate the mechanical integrity of the metal/ceramic nanolaminates. As such, first principles density functional theory (DFT) calculations were performed to understand the electronic and atomistic factors governing adhesion and resistance to shear for simple metal/ceramic interfaces, whereas molecular dynamics (MD) simulations were performed to observe the impact of interfacial structures, such as misfit dislocation network geometries and orientation relationships, on interfacial mechanical properties.

For the DFT investigation, we choose metals with different crystal structures, namely - Cu (fcc), Cr (bcc) and Ti (hcp) along with a variety of …

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 …

Zinc Gallate Spinel Dielectric Function, Band-To-Band Transitions, And Γ-Point Effective Mass Parameters, Matthew J. Hilfiker, Megan Stokey, Rafal Korlacki, Ufuk Kilic, Zbigniew Galazka, Klaus Irmscher, Stefan Zollner, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

We determine the dielectric function of the emerging ultrawide bandgap semiconductor ZnGa₂O₄ from the near-infrared (0.75 eV) into the vacuum ultraviolet (8.5 eV) spectral regions using spectroscopic ellipsometry on high quality single crystal substrates. We perform density functional theory calculations and discuss the band structure and the Brillouin zone Γ-point band-to-band transition energies, their transition matrix elements, and effective band mass parameters. We find an isotropic effective mass parameter (0.24m_e) at the bottom of the Γ-point conduction band, which equals the lowest valence band effective mass parameter at the top of the highly anisotropic …

Plasmonic Waveguides To Enhance Quantum Electrodynamic Phenomena At The Nanoscale, Ying Li, Christos Argyropoulos

Department of Electrical and Computer Engineering: Faculty Publications

The emerging field of plasmonics can lead to enhanced light-matter interactions at extremely nanoscale regions. Plasmonic (metallic) devices promise to efficiently control both classical and quantum properties of light. Plasmonic waveguides are usually used to excite confined electromagnetic modes at the nanoscale that can strongly interact with matter. The analysis of these nanowaveguides exhibits similarities with their low frequency microwave counterparts. In this article, we review ways to study plasmonic nanostructures coupled to quantum optical emitters from a classical electromagnetic perspective. These quantum emitters are mainly used to generate single-photon quantum light that can be employed as a quantum bit …

Anisotropic Dielectric Functions, Band-To-Band Transitions, And Critical Points In Α-Ga2O3, Matthew J. Hilfiker, Rafal Korlacki, Riena Jinno, Yongjin Cho, Huili Grace Xing, Debdeep Jena, Ufuk Kilic, Megan Stokey, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

We use a combined generalized spectroscopic ellipsometry and density functional theory approach to determine and analyze the anisotropic dielectric functions of an α-Ga₂O₃ thin film. The sample is grown epitaxially by plasma-assisted molecular beam epitaxy on m-plane sapphire. Generalized spectroscopic ellipsometry data from multiple sample azimuths in the spectral range from 0.73 eV to 8.75 eV are simultaneously analyzed. Density functional theory is used to calculate the valence and conduction band structure. We identify, for the indirect-bandgap material, two direct band-to-band transitions with M₀-type van Hove singularities for polarization perpendicular to the c axis, …

Nanoengineered Materials For Energy Conversion & Storage Applications: A Density Functional Theory Study, Ahmed Biby

Theses and Dissertations

The conventional approach for the development of novel materials has become long relative to the desired product development cycle. Thus, the sluggish pace of the development of materials within the conventional approach hinders the rapid transformation of the scientific outcomes into useful technological products. To this end, the field of hierarchical materials informatics evolved to bridge this gap. In this field, the multiscale material internal structure is considered the starting point and the core of this approach. This being said, the density functional theory (DFT) was used to generate useful materials data for the advancement of the hierarchical materials data-bases …

Experimental Exploration Of Shared Magnetic Phases Between Diverse Systems Of Iron-Pnictide Superconductors, Ryan Scott Stadel

Graduate Research Theses & Dissertations

The exciting field of iron-pnictide superconductors offers unique opportunities for studying the relationship between magnetism and unconventional superconductivity. This is vital to developing an understanding of the microscopic origin of high-temperature superconductivity, which is itself an important step in harnessing such a potentially revolutionary technology.

Polycrystalline and crystalline samples are synthesized over a diverse collection of related iron-pnictide systems including (Ca,Sr,Ba)1-xNaxFe2As2, Ba(Fe1-xCox)2As2 (122s), and LaFeAs1-xPxO, and TbFeAs1-xPxO (1111s). These compounds are characterized through various types of neutron and x-ray diffraction on multiple instruments, as well as muon spin resonance, and magnetic susceptibility measurements.

A thorough investigation into the conditions under …

Superconducting Cuprates: Synthesis, Characterization And Diffuse Scattering Properties, Bisham Poudel

Graduate Research Theses & Dissertations

Since its discovery more than a century ago, the fascinating phenomenon of superconductivity remains as mysterious as ever with the greatest challenge facing the condensed matter community being the elusive understanding of the microscopic origin leading to its inception. Many outstanding questions remain of which the role played by nematic fluctuations and structural disorder for the stabilization of superconductivity is not well understood. In this respect, superconducting YBa2Cu3O6+x (YBCO)-type cuprates present an ideal framework in which charge doping, structural disorder and various site manipulations can be explored in efforts to address some of these questions. Extensive synthesis and characterization efforts …

Surface Acoustic Waves Increase Magnetic Domain Wall Velocity, Anil Adhikari, Shireen Adenwalla

Shireen Adenwalla Papers

Domain walls in magnetic thin films are being explored for memory applications and the speed at which they move has acquired increasing importance. Magnetic fields and currents have been shown to drive domain walls with speeds exceeding 500 m/s. We investigate another approach to increase domain wall velocities, using high frequency surface acoustic waves to create standing strain waves in a 3 micron wide strip of magnetic film with perpendicular anisotropy. Our measurements, at a resonant frequency of 248.8 MHz, indicate that domain wall velocities increase substantially, even at relatively low applied voltages. Our findings suggest that the strain wave …

Observation Of New Particle Formation In The Northern Hemisphere At Altitude From 4 To 20 Km, Mohamed Saad

Electronic Theses and Dissertations

New particle formation (NPF) is investigated using measurements of aerosol size distributions and meteorological variables made in two continents, including USA and Europe. Despite the considerably different aerosol particle abundances among the sites, a common relationship was found between the characteristics of NPF events and the air mass convective and/or advective transport. CO and O3 act as tracers of tropospheric and stratospheric air, respectively, their statistical relationship can be used to quantify air mass characteristics and origins. The mixing ratio values of CO increased within the upper troposphere layer before/during NPF events, which may serve as an indicator of occurring …

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …

Transient Effects In Solution-Processed Organic Thin Films, Jing Wan

Graduate College Dissertations and Theses

Due to the weak van der Waals forces between organic semiconductor molecules, the molecular packing depends sensitively on the processing methods and conditions. Thus, understanding the crystallization mechanisms during solution deposition are essential for fundamental studies and reproducible fabrication of electronic devices.The performance of Organic field effect transistors (OFETs) also depends heavily on extrinsic factors such as contact resistance and interfacial defects, which can produce a different kind of transient effect at the metal-semiconductor contact. We have observed structural transient effects during the crystallization process of two small molecule organic semiconductors made from solution. We report in situ X-ray scattering …