Physics Commons^™

Study Of Electronic And Magnetic Properties Of Bilayer Graphene Nanoflakes And Bimetallic Chalcogenides Using First-Principles Density Functional Theory And Machine Learning, Dharmendra Pant

Dissertations, Master's Theses and Master's Reports

Graphene, a one-atom-thick material, has been a wonder material since its discovery because of its superlative electronic, mechanical, and optical properties. When a layer of graphene is rotated over another layer, it exhibits many intriguing behaviors, ranging from superconductivity to the anomalous Hall effect to ferromagnetism at a magic angle of 1°, and hence the twisted bilayer graphene has been the subject of intense research in recent years. The surge in interest in this moiré structure can be attributed to the emergence of electronic flat minibands near the magic angle. Here, we studied the electronic and magnetic properties of twisted …

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 …

Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka

Dissertations, Master's Theses and Master's Reports

First-principles calculations are performed on γ-FeSi₂ nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi₂) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …

Physics And Applications Of Exceptional Points, Qi Zhong

Dissertations, Master's Theses and Master's Reports

Exceptional points (EPs) are singularities that arise in non-Hermitian physics. Crossing EPs is believed to be related with phase transitions between parity-time-(PT-)symmetric phase and broken PT phase. Owing to their peculiar topology, EPs can remotely induce observable effects when encircled by closed trajectories in the parameter space. In this dissertation, first of all, we investigate the extreme dynamics of non-Hermitian systems near higher order EPs constructed using the bosonic algebra method. The strong power oscillations for certain initial conditions can occur as a result of the peculiar eigenspace geometry and its dimensionality collapse near these singularities. And in the PT …

Generalizable Modeling Of Charge Transport In Single Electron Transistor Devices: Application To Thermal Sensitivity In Semiconducting Island Systems, Paniz Khanmohammadi Hazaveh

Dissertations, Master's Theses and Master's Reports

Electronic devices, especially MOSFETs, have been dimensionally scaled down to enhance operation of integrated circuits, addressing challenges such as current leakage, fluctuation of intrinsic semiconductor properties, and power dissipation. Reaching dimensions below 20 nm, there are fundamental limitations that are difficult to overcome, driving alternative device paradigms to be sought utilizing the quantum mechanical behavior of electrons. Single electron transistor (SET) devices are examples of a new generation of low-power transistors designed to transport information via single electron tunneling through one or more islands separated by tunnel junctions. Experimentally explored SET devices have shown that there are advantages to using …

First-Principles Investigation Of The Interfacial Properties Of Boron Nitride, Kevin Waters

Dissertations, Master's Theses and Master's Reports

The interactions of nanomaterial surfaces with biological compounds, e.g. proteins, DNA, etc., unites the biological regime and nanomaterial world. Hybrid systems of boron-nitride nanotubes (BNNTs) and biological compounds are well-suited for a broad range of applications. First-principles methods are used to characterize the interface of these hybrid systems. Previous work has shown that the sensing capabilities of pristine BNNT are limited by long-ranged interactions. In this study the surfaces of pristine and functionalized BNNTs are investigated. The surfaces of the functionalized BNNTs give new properties to the tubes, which may enhance their sensing capabilities, while retaining their stability and chemical …

Multiscale Examination And Modeling Of Electron Transport In Nanoscale Materials And Devices, Douglas R. Banyai

Dissertations, Master's Theses and Master's Reports - Open

For half a century the integrated circuits (ICs) that make up the heart of electronic devices have been steadily improving by shrinking at an exponential rate. However, as the current crop of ICs get smaller and the insulating layers involved become thinner, electrons leak through due to quantum mechanical tunneling. This is one of several issues which will bring an end to this incredible streak of exponential improvement of this type of transistor device, after which future improvements will have to come from employing fundamentally different transistor architecture rather than fine tuning and miniaturizing the metal-oxide-semiconductor field effect transistors (MOSFETs) …

Quantum Correlations Of Lights In Macroscopic Environments, Yong Meng Sua

Dissertations, Master's Theses and Master's Reports - Open

This dissertation presents a detailed study in exploring quantum correlations of lights in macroscopic environments. We have explored quantum correlations of single photons, weak coherent states, and polarization-correlated/polarization-entangled photons in macroscopic environments. These included macroscopic mirrors, macroscopic photon number, spatially separated observers, noisy photons source and propagation medium with loss or disturbances.

We proposed a measurement scheme for observing quantum correlations and entanglement in the spatial properties of two macroscopic mirrors using single photons spatial compass state. We explored the phase space distribution features of spatial compass states, such as chessboard pattern by using the Wigner function. The displacement and …