Coupled Oscillators: Protein And Acoustics, 2022 New Jersey Institute of Technology

#### Coupled Oscillators: Protein And Acoustics, Angelique N. Mcfarlane

*Theses*

This work encompassed three different vibrational energy transfer studies of coupled resonators (metal, topological, and microtubule comparison) inspired by the lattices of microtubules from regular and cancerous cells. COMSOL Multiphysics 5.4 was utilized to design the experiment. The simulation starts with an acoustic pressure study to examine the vibrational modes present in coupled cylinders, representing α-, β-tubulin heterodimers. The Metal Study consisted of 3 models (monomer, dimer, and trimer) to choose the correct height (40 mm) and mode (Mode 1) for study. The Topological Study was run to predict and understand how the lattice structure changes over a parametric sweep …

Physical Vapor Transport Growth Of Antiferromagnetic Crcl3 Flakes Down To Monolayer Thickness, 2022 University of Nebraska-Lincoln

#### Physical Vapor Transport Growth Of Antiferromagnetic Crcl3 Flakes Down To Monolayer Thickness, Jia Wang, Zahra Ahmadi, David Lujan, Jeongheon Choe, Xiaoqin Li, Jeffrey E. Shield, Xia Hong

*Faculty Publications, Department of Physics and Astronomy*

The van der Waals magnets CrX_{3} (X = I, Br, and Cl) exhibit highly tunable magnetic properties and are promising candidates for developing novel two-dimensional (2D) magnetic devices such as magnetic tunnel junctions and spin tunneling transistors. Previous studies of CrCl_{3} have mainly focused on mechanically exfoliated samples. Controlled synthesis of high quality atomically thin flakes is critical for their technological implementation but has not been achieved to date. Here, we report the growth of large CrCl3 flakes with well-defined facets down to monolayer thickness (~0.6 nm) via the physical vapor transport technique. Long stripes of tri-layer samples …

Magnetic Skyrmions Unwrapped, 2022 University of Nebraska - Lincoln

#### Magnetic Skyrmions Unwrapped, Alexey Kovalev

*Alexey Kovalev Papers*

Experiments with chiral magnets may hold the key to a better understanding of fundamental aspects of transformations between different skyrmionic states, necessary for magnetic memory and logic applications to become a reality.

** **With the aim of developing computing devices that operate with low power dissipation, scientists have been pursuing the idea of encoding information in magnetic states. Specifically, skyrmions, which can be thought of as whirl-like states of magnetic moments, are promising candidates for this purpose. The advantage of skyrmions lies in their topological protection, a property implying that only a ‘global’ system modification can erase a skyrmion. Realizations of …

Quantum Computational Simulations For Condensed Matter Systems, 2022 University of Tennessee, Knoxville

#### Quantum Computational Simulations For Condensed Matter Systems, Trevor Alan Keen

*Doctoral Dissertations*

In condensed matter physics, and especially in the study of strongly correlated electron systems, numerical simulation techniques are crucial to determine the properties of the system including interesting phases of matter that arise from electron-electron interactions. Many of these interesting phases of matter, including but not limited to Mott-insulating materials and possibly high-temperature superconducting systems, can be modeled by the Hubbard model. Although it is one of the simplest models to include electron-electron interactions, it cannot be solved analytically in more than one dimension and thus numerical techniques must be employed. Although there have been great strides in classical numerical …

Studying Electron Dynamics For Quantum Materials With Real Space Resolution: A Wannier Orbital Approach To Spectroscopy Using High-Performance Supercomputers, 2022 University of Tennessee, Knoxville

#### Studying Electron Dynamics For Quantum Materials With Real Space Resolution: A Wannier Orbital Approach To Spectroscopy Using High-Performance Supercomputers, Casey J. Eichstaedt

*Doctoral Dissertations*

Quantum materials have a promising future for energy and security applications which will lay the bedrock for material science research for decades to follow. Partic- ularly, ‘one-dimensional’ Mott-insulating cuprates such as SrCuO 2 and (Ca)Sr 2 CuO 3 have been deemed to fall under a ‘fractionalization’ paradigm in which the electrons disintegrate into bosonic collective excitations of their fundamental constituents— spin, charge, and ‘orbital’ degrees of freedom— due to the anisotropic crystalline structure, deeming them outside the band theory of solids. Here, I provide ab initio theory for the ‘one-dimensional’ cuprates SrCuO 2 and (Ca)Sr 2 CuO 3 using no …

Semi-Classical Theories Of Quantum Magnets, 2022 University of Tennessee, Knoxville

#### Semi-Classical Theories Of Quantum Magnets, Hao Zhang

*Doctoral Dissertations*

Recent progress in magnetism has been driven by embracing the complexity associated with entangled spin, orbital, and lattice degrees of freedom and by understanding the emergent quantum behaviors of magnetic systems. Over the past decades, intense efforts have been devoted to “extreme quantum materials” comprising low-dimensional lattices of spin S = 1/2 degrees of freedom, that are candidates to host quantum spin liquid phases with no classical counterpart. Finite-spin (S ≥ 1) systems that exhibit ground states with short-ranged entanglement have not been the center of much attention because they are expected to behave semi-classically. However, as we will demonstrate …

Nanoscale Studies Of The Ferroelectric And Electromechanical Properties Of Hafnia-Based Capacitors, 2022 University of Nebraska–Lincoln

#### Nanoscale Studies Of The Ferroelectric And Electromechanical Properties Of Hafnia-Based Capacitors, Pratyush Buragohain

*Theses, Dissertations, and Student Research: Department of Physics and Astronomy*

The work presented in this dissertation aims to provide nanoscopic insights into the electrical and electromechanical behavior of the recently discovered ferroelectric HfO_{2} or hafnia-based capacitors. Hafnia-based ferroelectrics are highly promising for technological applications due to compatibility with the existing Si technology. To realize the full potential of hafnia, however, requires comprehensive understanding of its properties. In this regard, this dissertation hopes to bridge a gap between an understanding of the nanoscopic and macroscopic properties of hafnia by performing combined high-resolution piezoresponse force microscopy (PFM) and pulse switching studies.

More specifically, the dynamics of domain nucleation and wall motion …

Topological States In Matter, 2022 University of Tennessee, Knoxville

#### Topological States In Matter, Hasitha W. Suriya Arachchige

*Doctoral Dissertations*

Topologically nontrivial spin textures, mesoscopic spin configurations that cannot be continuously transformed to an elementary magnetic configuration such as a ferromagnet or antiferromagnet, are of interest due to their ability to exhibit magnetic solitons, with topological protection. Such properties have the potential for applications in future data storage and communication devices. For example, spin textures found in materials such as MnSi, Cu2OSe3, Co-Zn-Mn alloys, and GaV4S8, commonly known as skyrmions, are driven by the interplay of atomic-scale exchange interactions, single-ion anisotropy, and an applied magnetic field. Of particular importance to this class of materials is the presence of a Dyaloshinski …

Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, 2022 University of Arkansas, Fayetteville

#### Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit

*Graduate Theses and Dissertations*

The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …

Numerical Studies Of Correlated Topological Systems, 2022 University of Tennessee, Knoxville

#### Numerical Studies Of Correlated Topological Systems, Rahul Soni

*Doctoral Dissertations*

In this thesis, we study the interplay of Hubbard U correlation and topological effects in two different bipartite lattices: the dice and the Lieb lattices. Both these lattices are unique as they contain a flat energy band at E = 0, even in the absence of Coulombic interaction. When interactions are introduced both these lattices display an unexpected multitude of topological phases in our U -λ phase diagram, where λ is the spin-orbit coupling strength. We also study ribbons of the dice lattice and observed that they qualitative display all properties of their two-dimensional counterpart. This includes flat bands near …

Understanding Liquid Dynamics Using The Van Hove Function From Inelastic Neutron Scattering Measurements, 2022 University of Tennessee, Knoxville

#### Understanding Liquid Dynamics Using The Van Hove Function From Inelastic Neutron Scattering Measurements, Yadu Krishnan Sarathchandran

*Doctoral Dissertations*

Liquid state physics remains relatively unexplored compared to solid-state physics, which achieved massive progress over the last century. The theoretical and experimental methodologies used in solid-state physics are not suitable to study the liquid state due to the latter's strong time dependence and the lack of periodicity in structure. The approaches based on phonon dynamics break down when phonons are over-damped and localized in liquids. The microscopic nature of atomic dynamics and many-body interactions leading to liquid state properties such as viscosity and dielectric loss in liquids remain unclear. Inelastic neutron scattering measurements were done to study the microscopic origins …

Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, 2022 Clemson University

#### Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, Megan Hoover

*All Dissertations*

Quantum-mechanical calculations using density functional theory with the generalized gradient approximation were employed to investigate the effects dopants have on the uranium dioxide (UO_{2}) structure. Uraninite is a common U^{4+} mineral in the Earth's crust and an important material used to produce energy and medical isotopes. Though the incorporation mechanism remains unclear, divalent cations are known to incorporate into the uranium dioxide system. Three charge-balancing mechanisms were evaluated to achieve a net neutral system, including the substitution of (1) a divalent cation for a tetravalent uranium atom and oxygen atom; (2) two divalent cations for a tetravalent …

Quantum Transport And Electric-Field Effects In Layered Topological Semimetals And Magnetic Materials, 2022 University of Arkansas, Fayetteville

#### Quantum Transport And Electric-Field Effects In Layered Topological Semimetals And Magnetic Materials, Arash Fereidouni Ghaleh Minab

*Graduate Theses and Dissertations*

This dissertation describes transport experiments on quantum devices in layered Dirac nodal line topological semimetals and antiferromagnetic materials down to a few layers. We used gate-induced effects to alter the transport properties of these materials.

First, we introduced current annealing in topological semimetals to achieve high-quality devices. We demonstrate current annealing to substantially improve the electronic transport properties of 2D topological semimetal flakes. Contact resistance and resistivity were improved by factors up to 2,000,000 and 20,000, respectively, in devices based on exfoliated flakes of two topological semimetals, ZrSiSe and BaMnSb2. Using this method, carrier mobility in ZrSiSe improved by a …

In Situ Study Of Ultrafast Carrier Transport Dynamics In Perovskite Thin-Films, 2022 Clemson University

#### In Situ Study Of Ultrafast Carrier Transport Dynamics In Perovskite Thin-Films, Kanishka Kobbekaduwa

*All Dissertations*

Perovskites are a novel class of materials that have piqued the interest of researchers in photovoltaics, photodetectors, and optoelectronics. In this study, we measure and elucidate *in situ* ultrafast carrier dynamics in both organic and inorganic, lead, and non-lead-based halide perovskite thin films using ultrafast photocurrent spectroscopy (UPCS) with a sub-25 ps time resolution. The UPCS technique enables us to define carrier transport dynamics in spatial, temporal, and energy landscapes via measurements at different electric fields, laser intensities, and temperatures. Here we explore and analyze solution-processed bulk MAPbI_{3} and nanocrystalline CsPbI_{3}-based devices and novel non-lead double-layered perovskite …

Multi-Technique Characterization Of Superconducting Materials For Particle Accelerator Applications, 2022 Old Dominion University

#### Multi-Technique Characterization Of Superconducting Materials For Particle Accelerator Applications, Junki Makita

*Physics Theses & Dissertations*

We investigated the performance limitations of superconducting radio-frequency (SRF) cavities and materials using multiple experimental techniques. In particular, this study focuses on understanding the surface properties of nitrogen-doped Nb cavities and superconducting thin films with higher *T _{c}* such as Nb

_{3}Sn. The main goal of this work is to use different techniques to better understand each aspect of the complex loss mechanism in superconductors to further improve the already highly efficient SRF cavities.

Nitrogen doping applied to a Nb SRF cavity significantly improves the quality factor *Q _{0}* compared to a conventional Nb cavity, at an expense of …

Pressure-Induced Phase Transition And Electronic Structure Changes In Equiatomic Fev, 2022 University of Texas at El Paso

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

*Open Access Theses & Dissertations*

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

Majorana Bound States With Chiral Magnetic Textures, 2022 University of Maryland at College Park

#### Majorana Bound States With Chiral Magnetic Textures, Utkan Güngördü, Alexey Kovalev

*Alexey Kovalev Papers*

The aim of this Tutorial is to give a pedagogical introduction into realizations of Majorana fermions, usually termed as Majorana bound states (MBSs), in condensed matter systems with magnetic textures. We begin by considering the Kitaev chain model of “spinless” fermions and show how two “half” fermions can appear at chain ends due to interactions. By considering this model and its two-dimensional generalization, we emphasize intricate relation between topological superconductivity and possible realizations of MBS. We further discuss how “spinless” fermions can be realized in more physical systems, e.g., by employing the spin-momentum locking. Next, we demonstrate how magnetic textures …

Majorana Bound States With Chiral Magnetic Textures, 2022 University of Nebraska-Lincoln

#### Majorana Bound States With Chiral Magnetic Textures, Utkan Güngördü, Alexey Kovalev

*Faculty Publications, Department of Physics and Astronomy*

The aim of this Tutorial is to give a pedagogical introduction into realizations of Majorana fermions, usually termed as Majorana bound states (MBSs), in condensed matter systems with magnetic textures. We begin by considering the Kitaev chain model of “spinless” fermions and show how two “half” fermions can appear at chain ends due to interactions. By considering this model and its two-dimensional generalization, we emphasize intricate relation between topological superconductivity and possible realizations of MBS. We further discuss how “spinless” fermions can be realized in more physical systems, e.g., by employing the spin-momentum locking. Next, we demonstrate how magnetic textures …

Asymmetric Control Of Light At The Nanoscale, 2022 University of Nebraska - Lincoln

#### Asymmetric Control Of Light At The Nanoscale, Christos Argyropoulos

*Faculty Publications from the Department of Electrical and Computer Engineering*

Breaking reciprocity at the nanoscale can produce directional formation of images due to the asymmetric nonlinear optical response of subwavelength anisotropic resonators. The self-induced passive non-reciprocity has advantages compared to magnet or time modulation approaches and may impact both classical and quantum photonics.

Ultra-High Carrier Mobilities In Ferroelectric Domain Wall Corbino Cones At Room Temperature, 2022 Queen’s University Belfast

#### Ultra-High Carrier Mobilities In Ferroelectric Domain Wall Corbino Cones At Room Temperature, Conor J. Mccluskey, Matthew G. Colbear, James P.V. Mcconville, Shane J. Mccartan, Jesi R. Maguire, Michele Conroy, Kalani Moore, Alan Harvey, Felix Trier, Ursel Bangert, Alexei Gruverman, Manuel Bibes, Amit Kumar, Raymong G.P. Mcquaid, J. Marty Gregg

*Alexei Gruverman Publications*

Recently, electrically conducting heterointerfaces between dissimilar band-insulators (such as lanthanum aluminate and strontium titanate) have attracted considerable research interest. Charge transport has been thoroughly explored and fundamental aspects of conduction firmly established. Perhaps surprisingly, similar insights into conceptually much simpler conducting homointerfaces, such as the domain walls that separate regions of different orientations of electrical polarisation within the same ferroelectric band-insulator, are not nearly so well-developed. Addressing this disparity, we herein report magnetoresistance in approximately conical 180° charged domain walls, which occur in partially switched ferroelectric thin film single crystal lithium niobate. This system is ideal for such measurements: firstly, …