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Synthesis, Characterization, And Simulation Of Two-Dimensional Materials, Lawrence Hudy

Theses and Dissertations

ABSTRACT

SYNTHESIS, CHARACTERIZATION, AND SIMULATION OF TWO-DIMENSIONAL MATERIALS

by

Lawrence Hudy

The University of Wisconsin-Milwaukee, 2023Under the Supervision of Professor Michael Weinert

This dissertation focuses on my journey through many aspects of surface science leading to the first principles investigation of transition metal dichalcogenides studying the impact of defects, twist, and decreasing interlayer separation to probe their effect on the electronic properties of these materials. My journey started out learning many aspects of material science such as methods for material synthesis and characterization but later ended on simulation of material properties using density functional theory. In the first experiments, we …

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 …

Ab Initio Studies Of Structure And Properties Of Group-Iv Monochalcogenide Monolayers, Shiva Prasad Poudel

Graduate Theses and Dissertations

The goal of this dissertation is to study the structure of ferroelectric group-IV monochalcogenide monolayers (MMLs) and their material properties. This work also established a new buckled honeycomb phase of these monolayers. Chapter 1 serves as an introduction where the motivation for these studies is established. In chapter 2, I used eight different exchange-correlation functionals (XC) to study the structure of these 2D ferroelectrics and found that their properties are independent of the choice of XC functionals. These findings reveal that the ground-state ferroelectric unit cell can be described by only five independent parameters, whereas their paraelectric (square or rectangular) …

Theoretical Investigation On Optical Properties Of 2d Materials And Mechanical Properties Of Polymer Composites At Molecular Level, Geeta Sachdeva

Dissertations, Master's Theses and Master's Reports

The field of two-dimensional (2D) layered materials provides a new platform for studying diverse physical phenomena that are scientifically interesting and relevant for technological applications. Theoretical predictions from atomically resolved computational simulations of 2D materials play a pivotal role in designing and advancing these developments. The focus of this thesis is 2D materials especially graphene and BN studied using density functional theory (DFT) and molecular dynamics (MD) simulations. In the first half of the thesis, the electronic structure and optical properties are discussed for graphene, antimonene, and borophene. It is found that the absorbance in (atomically flat) multilayer antimonene (group …

Computational Studies Of Carbon Nanocluster Solidification, Chathuri C. Silva

Dissertations

A subset of micron-size meteoritic carbon particles formed in red giant atmospheres show a core-rim structure, likely condensed from a vapor phase into super-cooled carbon droplets that nucleated graphene sheets (~40Å) on randomly oriented 5-atom loops during solidification, followed by coating with a graphite rim. Similar particles form during slow cooling of carbon vapor in the lab.

Here we investigate the nucleation and growth of carbon rings and graphene sheets using density functional theory (DFT). Our objectives: (1). explore different computational techniques in DFT-VASP for various carbon structures and compare the results with literature, (2). investigate the nucleation and growth …

Two-Dimensional Bose–Hubbard Model For Helium On Graphene, Jiangyong Yu

Graduate College Dissertations and Theses

An exciting development in the field of correlated systems is the possibilityof realizing two-dimensional (2D) phases of quantum matter. For a systems of bosons, an example of strong correlations manifesting themselves in a 2D environment is provided by helium adsorbed on graphene. We construct the effective Bose-Hubbard model for this system which involves hard-core bosons (U ≈ ∞) and repulsive nearest-neighbor (V > 0) interactions. In this work, we focus on the calculations of single particle properties of the model such as the hopping parameter t. This is accomplished via Wannier Theory and Band structure calculations, which proves to be reliable …

Strongly Correlated Phases In Quantum Hall Systems, Amartya Saha

Theses and Dissertations--Physics and Astronomy

Quantum Hall systems have a one-body energy spectrum consisting of dispersion-less Landau levels. Electron-electron interactions thus dominate in partially filled Landau levels, which exhibit a myriad of strongly correlated phases such as quantum hall ferromagnets and fractional quantum Hall phases. We study two examples of these phenomena.

In the first project, we explore the ground state of a system with an interface between two semi-infinite regions with fillings ν= 4 and ν= 3 respectively. The width of the interface can be controlled by varying the background potential, which provides an additional tuning parameter. For a certain range of …

Experimental Investigations Of Contact Friction And Transport Properties Of Monolayer And Bilayer Graphene, Prakash Gajurel

Graduate Theses, Dissertations, and Problem Reports

Results obtained from experimental investigations of contact friction in monolayer and bilayers graphene and the related effects on their transport properties are presented here along with their discussion and interpretation. For this purpose, chemical vapor deposited (CVD) graphene samples on SiO₂/Si were prepared. The samples were characterized by atomic force microscopy (AFM), Raman and X-ray photoelectron spectroscopy (XPS). Summaries of the results are given below.

Defects-controlled friction in graphene is of technological importance but the underlying mechanism remains a subject of debate. The new results obtained from the analysis of lateral force microscopy images revealed that the contact …

Free Charge Carrier Properties In Two-Dimensional Materials And Monoclinic Oxides Studied By Optical Hall Effect, Sean Knight

Department of Electrical and Computer Engineering: Dissertations, Theses, and Student Research

In this dissertation, optical Hall effect (OHE) measurements are used to determine the free charge carrier properties of important two-dimensional materials and monoclinic oxides. Two-dimensional material systems have proven useful in high-frequency electronic devices due to their unique properties, such as high mobility, which arise from their two-dimensional nature. Monoclinic oxides exhibit many desirable characteristics, for example low-crystal symmetry which could lead to anisotropic carrier properties. Here, single-crystal monoclinic gallium oxide, an AlInN/GaN-based high-electron-mobility transistor (HEMT) structure, and epitaxial graphene are studied as examples. To characterize these material systems, the OHE measurement technique is employed. The OHE is a physical …

Graphene In A Uniform Magnetic Field, Ankur Das

Theses and Dissertations--Physics and Astronomy

We study monolayer graphene in a uniform magnetic field in the absence and presence of interactions. In the non-interacting limit, for p/q flux quanta per unit cell (p, q are coprime integer), the central two bands have 2q Dirac points in the Brillouin zone (BZ) in the nearest-neighbor model. These touchings and their locations are guaranteed by chiral symmetry and the lattice symmetries of the honeycomb structure. If we add a staggered potential and a next-nearest-neighbor hopping we find that their competition leads to a topological phase transition. We also study the stability of the Dirac touchings to one-body perturbations …

Investigating The Time Scales Of Electromechanical Motion In Graphene Drumheads Using Pump-Probe Spectroscopy With Stm, Alana P. Gudinas

Honors Theses and Capstones

Scanning tunneling microscopy (STM) has transformed the field of condensed matter physics over the past few decades, allowing scientists to image materials at the atmomic scale, manipulate individual atoms, and probe electronic states on the surface of materials. In recent years, there have been numerous developments to introduce time-resolved measurements to STM in order to probe atomic-scale dynamic processes and combine spatial and temporal resolution. Advances like THz-STM setups achieve femtosecond resolution, but require complex external setups. All-electronic pump-probe spectroscopy for STM (directly analogous to optical pump-probe spectroscopy) has been pioneered by Loth et al., and newer applications (Natterer et …

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

Graduate Theses, Dissertations, and Problem Reports

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 …

Cyclotron Resonance In Graphene Heterostructurescyclotron Resonance In Graphene Heterostructures, Billy Jordan Russell

Arts & Sciences Electronic Theses and Dissertations

We present observations of cyclotron resonance in graphene Van der Waals heterostructure devices. Such devices provide dramatic improvements in sample quality and allow for ad- vanced electronic control, opening windows on previously inaccessible physics. The design and construction of a dedicated system for the measurement of electronic transport and infrared magnetospectroscopy in microscopic samples of atomically thin materials at cryogenic temperatures is presented. In high-mobility encapsulated monolayer graphene, electron- electron interaction effects are unambiguously observed to impact the interband cyclotron resonance as the Landau level filling factor is varied in a quantizing magnetic field. Additionally, a splitting of transitions involving …

Toward Devices For Exploring Pt-Symmetry In Electronic Transport Of Graphene, Michael Carovillano

Senior Honors Papers / Undergraduate Theses

Parity-time symmetry, or PT -symmetry is the principle that in quantum mechanics a non- Hermitian Hamiltonian is capable of returning real eigenstates and real spectra.Recent research has demonstrated real world observation of PT -symmetry in electronics and optics. We aim to expand the regime of observed PT -symmetry through measurement of the electronic transport of graphene devices. Drawing from analogous experiments, we plan to use balanced ohmic resistance acting as both loss and relative gain to induce the required unbroken PT -symmetry regime. This paper analyzes techniques used in fabrication of such devices as well as the basis of the …

Electronic Transport Behavior Of Adatom- And Nanoparticle-Decorated Graphene, Jamie Anne Elias

Arts & Sciences Electronic Theses and Dissertations

To induce a non-negligible spin-orbit coupling in monolayer graphene, for the purposes of realizing the Kane-Mele Hamiltonian, transition metal adatoms have been deposited in dilute amounts by thermal evaporation in situ while holding the device temperature near 4K. Electronic transport studies including measurements such as gate voltage dependent conductivity and mobility, weak localization, high field magnetoresistance (Shubnikov de Haas oscillations), quantum Hall, and nonlocal voltage were performed at low temperature before and after sequential evaporations. Studies of tungsten adatoms are consistent with literature regarding other metal adatoms on graphene but were unsuccessful in producing a spin-orbit signature, at least partially …

Extraordinary Magnetoresistance In Encapsulated Graphene Devices, Bowen Zhou

Arts & Sciences Electronic Theses and Dissertations

We report a study on the phenomenon of extraordinary magnetoresistance (EMR) in boron nitride encapsulated monolayer graphene devices. Extremely large EMR values–calculated as the change in magnetoresistance, (R(B)–R0)/R0–can be found in these devices due to the vanishingly small resistance values at zero field. In many devices the zero-field resistance can become negative, which enables R0 to be chosen arbitrarily close to zero depending only on measurement precision, resulting in very large EMR. We critically discuss the dependence of EMR on measurement precision and device asymmetry. On the other hand, we also find the largest reported values of the sensitivity to …

Exploring The Electrical Properties Of Twisted Bilayer Graphene, William Shannon

Senior Theses

Two-dimensional materials exhibit properties unlike anything else seen in conventional substances. Electrons in these materials are confined to move only in the plane. In order to explore the effects of these materials, we have built apparatus and refined procedures with which to create two-dimensional structures. Two-dimensional devices have been made using exfoliated graphene and placed on gold contacts. Their topography has been observed using Atomic Force Microscopy (AFM) confirming samples with monolayer, bilayer, and twisted bilayer structure. Relative work functions of each have been measured using Kelvin Probe Force Microscopy (KPFM) showing that twisted bilayer graphene has a surface potential …

Scanning Probe Microscopy Measurements On 2d Materials And Iridates, Armin Ansary

Theses and Dissertations--Physics and Astronomy

In the past two decades, there has been a quest to understand and utilize novel materials such as iridates and two-dimensional (2D) materials. These classes of materials show a lot of interesting properties both in theoretical predictions as well as experimental results. Physical properties of some of these materials have been investigated using scanning probe measurements, along with other techniques.

One-dimensional (1D) catalytic etching was investigated in few-layer hexagonal boron nitride (hBN) films. Etching of hBN was shown to share several similarities with that of graphitic films. As in graphitic films, etch tracks in hBN commenced at film edges and …

Electronic Properties Of Atomically Thin Material Heterostructures, M. Javad Farrokhi

Theses and Dissertations--Physics and Astronomy

There is a movement in the electronic industry toward building electronic devices with dimensions smaller than is currently possible. Atomically thin 2D material, such as graphene, bilayer graphene, hBN and MoS2 are great candidate for this goal and they have a potential set of novel electronic properties compare to their bulk counterparts due to the exhibition of quantum confinement effects. To this goal, we have investigated the electric field screening of multilayer 2D materials due to the presence of impurity charge in the interface and vertical electric fifield from back gate. Our result shows a dramatic difference of screening behavior …

Modelling Potential Fluctuations In Double Layer Graphene Systems As A Periodic Oscillation In Electron Density & Its Effect On Coulomb Drag, Ryan Bogucki

Williams Honors College, Honors Research Projects

An expression for the drag transresistivity in a graphene double layer system exhibiting potential fluctuations modelled as a periodic oscillation in electron density is derived. Our model starts from the Coulombic interaction and we derive the correlation between a sinusoidal fluctuation in electron density in the first layer and the induced electron density in the second layer. Previous models in the literature have employed an arbitrary correlation between each layer’s electron density, and the model presented is the first attempt in the literature to explicitly derive this correlation. Recent experiments have found that the drag transresistivity in graphene double layers …

Electron Transport In One And Two Dimensional Materials, Samuel William Lagasse

Legacy Theses & Dissertations (2009 - 2024)

This dissertation presents theoretical and experimental studies in carbon nanotubes (CNTs), graphene, and van der Waals heterostructures. The first half of the dissertation focuses on cutting edge tight-binding-based quantum transport models which are used to study proton irradiation-induced single-event effects in carbon nanotubes [1], total ionizing dose effects in graphene [2], quantum hall effect in graded graphene p-n junctions [3], and ballistic electron focusing in graphene p-n junctions [4]. In each study, tight-binding models are developed, with heavy emphasis on tying to experimental data. Once benchmarked against experiment, properties of each system which are difficult to access in the laboratory, …

Plasma Based Synthesis And Surface Modification Of Graphene., Rong Zhao

Electronic Theses and Dissertations

Graphene, an atom thick layer of carbon, has attracted intense scientific interest due to its exceptional electrical, mechanical and chemical properties. Especially, it provides a perfect platform to explore the unique electronic properties in absolute two-dimension. Pristine graphene possesses zero band gap and weakens its competitiveness in the field of semiconductors. In order to induce a band gap and control its semiconducting properties, functionalization and doping are two of the most feasible methods. In the context of functionalization, large area monolayer graphene synthesized by chemical vapor deposition was subjected to controlled and sequential fluorination using radio frequency plasma while monitoring …

Computational Modeling Of Defect-Engineered Graphene Derivatives And Graphene-Polymer Nanocomposites, Asanka Weerasinghe

Doctoral Dissertations

Graphene has unique mechanical, electronic, and thermal properties, which enable a broad range of technological applications. For example, graphene flakes can be used as filler to enhance the properties of polymer-matrix nanocomposites and graphene derivatives, generated by defect engineering and chemical functionalization of single-layer graphene, have tunable properties that are very promising for engineering electronic and thermomechanical metamaterials. A fundamental understanding of the structure-property relationships that govern the function of such nanocomposites and graphene derivatives is required for designing and developing future graphene-based metamaterials. Toward this end, we have conducted a systematic study based on extensive molecular-dynamics simulations of mechanical …

Antenna Enhanced Graphene Terahertz Emitter And Detector, And Graphene Microwave Detector, Jiayue Tong

Doctoral Dissertations

Graphene is a promising candidate for optoelectronic and fast electronics research. In THz and sub-THz frequency regime, sensitive detectors are very difficult to make. This dissertation presents my Ph.D study of THz sources and THz/Microwave (MW) detectors made with graphene. My work demonstrates the emission and detection of 1.9 THz radiation from graphene coupled to a double-patch antenna and a silicon lens. More than 3 orders of magnitude performance improvements are achieved in a half-edge-contacted graphene thermoelectric (TE) detector operating at 1.9 THz by antenna coupling and Si lens coupling. The thermoelectric mechanism is also employed in MW detection. A …

Nanoscale Devices Consisting Of Heterostructures Of Carbon Nanotubes And Two-Dimensional Layered Materials, Mohsen Nasseri

Theses and Dissertations--Physics and Astronomy

One dimensional carbon nanotubes (CNTs) and two-dimensional layered materials like graphene, MoS₂, hexagonal boron nitride (hBN), etc. with different electrical and mechanical properties are great candidates for many applications in the future. In this study the synthesis and growth of carbon nanotubes on both conducting graphene and graphite substrates as well as insulating hBN substrate with precise crystallographic orientation is achieved. We show that the nanotubes have a clear preference to align to specific crystal directions of the underlying graphene or hBN substrate. On thicker flakes of graphite, the edges of these 2D materials can control the orientation …

Two Stream Instability In Graphene, Mitchell Duffer

Williams Honors College, Honors Research Projects

Mitchell Duffer

Major: Physics

Project Sponsor: Ben Yu-Kuang Hu

Number of Project Credits: 2

Two Stream Instability in Graphene

We investigate the unstable modes of the two-stream instability in graphene to determine if they can occur. This instability occurs when a population of electrons streams past another inside graphene. We obtain the unstable modes by numerically determining the zeros of the non-equilibrium graphene dielectric function using MATLAB. The dielectric function used in this study, in contrast to previous studies, includes the effects of the particle-hole excitation continuum (PHEC) that normally quells the evolution of unstable plasmons. MATLAB’s built in zero …

Synthesis And Fundamental Property Studies Of Energy Material Under High Pressure., Meysam Akhtar

Electronic Theses and Dissertations

Recently, high-pressure science and technology has flourished and rapidly advanced to impact a wide domain of materials and physical sciences. One of the most substantial technological developments is the integration of samples at ultrahigh pressure with a wide range of in-situ probing techniques. Applications of extreme pressure have significantly enriched our understanding of the electronic, phonon, and doping effects on the newly emerged two-dimensional (2D) materials. Under high pressure, materials’ atomic volume radically decreases, and electronic density rises, which will lead to extraordinary chemical reaction kinetic and mechanisms. The promising capability of high pressure combine with the significance of novel …

Relaxation Of Charge In Monolayer Graphene: Fast Nonlinear Diffusion Versus Coulomb Effects, Eugene B. Kolomeisky, Joseph P. Straley

Physics and Astronomy Faculty Publications

Pristine monolayer graphene exhibits very poor screening because the density of states vanishes at the Dirac point. As a result, charge relaxation is controlled by the effects of zero-point motion (rather than by the Coulomb interaction) over a wide range of parameters. Combined with the fact that graphene possesses finite intrinsic conductivity, this leads to a regime of relaxation described by a nonlinear diffusion equation with a diffusion coefficient that diverges at zero charge density. Some consequences of this fast diffusion are self-similar superdiffusive regimes of relaxation, the development of a charge depleted region at the interface between electron- and …

How Shape Of Simulated Graphene Sheets Affects Debye Scattering Patterns, Lindsay Lesh

Honors Projects

This research is about understanding the structure of a subset of graphitic stardust found in primitive meteorites (e.g. the Murchison meteorite). The carbon grains of interest exhibit a core-rim structure, where the core – with a density less than that of the graphitic rim – comprises the majority of the grain. Previous studies have shown that the cores are comprised primarily of unlayered graphene, and it has been hypothesized that the cores are the result of the rapid freezing (quenching) of a liquid carbon droplet. Electron diffraction is sensitive to small differences in crystal structure and simulated electron diffraction powder …

Interaction-Induced Dirac Fermions From Quadratic Band Touching In Bilayer Graphene, Sumiran Pujari, Thomas C. Lang, Ganpathy Murthy, Ribhu K. Kaul

Physics and Astronomy Faculty Publications

We revisit the effect of local interactions on the quadratic band touching (QBT) of the Bernal honeycomb bilayer model using renormalization group (RG) arguments and quantum Monte Carlo (QMC) simulations. We present a RG argument which predicts, contrary to previous studies, that weak interactions do not flow to strong coupling even if the free dispersion has a QBT. Instead, they generate a linear term in the dispersion, which causes the interactions to flow back to weak coupling. Consistent with this RG scenario, in unbiased QMC simulations of the Hubbard model we find compelling evidence that antiferromagnetism turns on at a …