2-D Semiconductors are novel materials in the field of nano-electronics. Their unusual transport properties have led to an extensive research attention towards similar materials. Graphene has carriers that exhibit an effective "speed of light" (106 m/s) in the low energy range of
This research proposes to achieve a common energy dispersion model for different hybridized structures, using tight binding theory. The goal is to achieve a suitable starting point to obtain practical electronic transport calculations for complex atomic structures. We begin with analyzing the electronic properties by obtaining the analytic solution of the wave function, from the Schrödinger equation. We obtain the energy dispersion relation by solving the Hamiltonian. Construction of the Hamiltonian matrix is the most crucial step in this process and the matrix elements are derived using nearest neighbor (NN) interactions. From thereon, methods to solve the Hamiltonian matrices mathematically and MATLAB codes to achieve them are discussed.
In this research, we explore the electronic and quantum transport properties with the help of a common model that works across sp2 and sp3d hybridized atomic orbitals. We specifically deal with 2-D materials like Graphene Nano-Ribbons (GNR) and Molybdenum Disulfide (MoS2). The width/layer-tunable band-gap of these materials is favorable to a variety of modern day applications. A variety of external factors are also known to vary the electronic properties of these materials, like - electric and magnetic fields, external pressure, temperature, strain, etc. Considering spin-orbit coupling, leads to valley physics and coupled spin in monolayers, makes it possible to control the spin and valley correspondingly. These factors are not accounted for in the current model and can build build upon as extensions. The effect of adding layers in Graphene and MoS2 is a avenue for future scope and research.
Library of Congress Subject Headings
Nanoelectronics; Semiconductors--Materials; Graphene--Electric properties
Electrical Engineering (MS)
Department, Program, or Center
Electrical Engineering (KGCOE)
Vajpey, Divya S., "Energy Dispersion Model using Tight Binding Theory" (2016). Thesis. Rochester Institute of Technology. Accessed from
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