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Articles 1 - 9 of 9
Full-Text Articles in Physics
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 …
Surface Reconstruction In Iron Garnets, Sushree Dash
Surface Reconstruction In Iron Garnets, Sushree Dash
Dissertations, Master's Theses and Master's Reports
This dissertation presents the results of a study investigating the physical mechanisms underlying an unexpectedly large increase in magneto-optic efficiency observed in iron garnet. Such materials are technologically important for telecommunications due to their nonreciprocal optical action. In the past, our group had found evidence of an enhanced Faraday rotation in bismuth-substituted iron garnet films less than 50 nm thick. Subsequent investigation revealed that this enhancement could be traced to surface effects. This is significant because understanding these phenomena could be used to formulate engineering solutions for device miniaturization. In this dissertation, we present the result of a research project …
Theoretical Investigation On Optical Properties Of 2d Materials And Mechanical Properties Of Polymer Composites At Molecular Level, Geeta Sachdeva
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 …
A Computational Study Of Properties Of Core-Shell Nanowire Heterostructures Using Density Functional Theory, Sandip Aryal
A Computational Study Of Properties Of Core-Shell Nanowire Heterostructures Using Density Functional Theory, Sandip Aryal
Dissertations, Master's Theses and Master's Reports
Nanoscale systems, especially the one-dimensional semiconducting nanowires, have been the subject of immense research interests due to their potential applications in nanoelectronics and optoelectronics that demand cheaper, smaller, faster, and energy-efficient components. In particular, the core/shell nanostructures, in which the core materials are shielded by materials with larger bandgap called shell, have been shown to enhance the performance of field effect transistors (FETs), solar cells, light emitting diodes (LEDs), and thermoelectric devices due to their outstanding features like valence band offset between the core and shell, higher stability against oxidation, reduction in the surface trap states, diminished nonradiative recombination processes, …
Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka
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 …
Probing Quantum Transport In Three-Terminal Nanojunctions, Meghnath Jaishi
Probing Quantum Transport In Three-Terminal Nanojunctions, Meghnath Jaishi
Dissertations, Master's Theses and Master's Reports
One-dimensional (1D) nanoscale systems—structures with the lateral dimensions ranging from 1 nm to 100 nm — have received significant research interest due to their unique structure-guided properties that promise functionalities far more superior than their bulk counterparts. The quantum confinement effect in 1D nanostructures provides us with a very powerful tool to tune their electrical, magnetic, optical and thermal properties and opens the gateway for their multifunctional usages in next-generation electronics. In particular, carbon nanotubes and semiconductor nanowires are found to offer tremendous opportunities to form the junction devices with controlled electronic and optoelectronic properties crucial to predictable device functions. …
First-Principles Studies Of Group Iv And Group V Related Two Dimensional Materials, Gaoxue Wang
First-Principles Studies Of Group Iv And Group V Related Two Dimensional Materials, Gaoxue Wang
Dissertations, Master's Theses and Master's Reports
Two dimensional (2D) materials have been extensively studied due to their novel properties and technologically important applications. Especially, the discovery of graphene has stimulated an avalanche of investigations to exploit its novel properties for applications at nanoscale. In the post-silicon era, graphene has been widely regarded as the most promising building blocks for the electronic devices. However, its metallic nature together with sensitivity to the environment leads to somewhat limited scope of applications. A finite band gap in a material is known to be essential for the fabrication of devices such as transistors. Such a limitation associated with graphene has …
Multiscale Examination And Modeling Of Electron Transport In Nanoscale Materials And Devices, Douglas R. Banyai
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) …
Understanding Electronic Structure And Transport Properties In Nanoscale Junctions, Kamal B. Dhungana
Understanding Electronic Structure And Transport Properties In Nanoscale Junctions, Kamal B. Dhungana
Dissertations, Master's Theses and Master's Reports - Open
Understanding the electronic structure and the transport properties of nanoscale materials are pivotal for designing future nano-scale electronic devices. Nanoscale materials could be individual or groups of molecules, nanotubes, semiconducting quantum dots, and biomolecules. Among these several alternatives, organic molecules are very promising and the field of molecular electronics has progressed significantly over the past few decades. Despite these progresses, it has not yet been possible to achieve atomic level control at the metal-molecule interface during a conductance measurement, which hinders the progress in this field. The lack of atomic level information of the interface also makes it much harder …