This thesis studies the physics of multilayer heterostructures grown from topological insulators (TIs), primarily bismuth selenide and antimony telluride, and other topologically trivial materials. This is done by extending a standard low-energy 3D TI Hamiltonian and varying its associated material parameters across the simulation domain. New results arising from the position-dependent TI interface model are found. For the first time, this method is incorporated into a density-functional theory (DFT) solver in order to study the self-consistent charge density in multilayer TI heterostructures due to the interface states. The thesis is structured as follows. The introduction (Ch. 1) presents a pedagogical review of the theory of 3D TIs and low-energy Hamiltonians used to study them, as well as typical methods in solid state physics that are made use of throughout the thesis. Chapter 2 presents the position-dependent Hamiltonian, showing new evidence for topological features of bulk states including varying degrees of band mixing and inversion; also, interface state tunnelling is shown to be affected by atomic layer orbital overlap, and incomplete localisation of surface states is demonstrated for antimony telluride. Chapter 3 presents a new DFT model of TI heterostructure interfaces and shows how conduction through TI interface states can be controlled with an electric field. Chapter 4 covers the extension of the model in Ch. 1 to 2D cross-sections of TI wires and heterostructures, showing for the first time evidence of localisation of conduction almost entirely within the inner interfaces of a 2D heterostructure wire. Chapter 5 presents our work with magnetic fields, demonstrating evolution of interface and bulk states with changing magnetic field and Landau level, as well as presenting new evidence for more complex spin structures in bismuth selenide arising from Landé factor signs. Our conclusions are presented in Chapter 6.

Exact solution to the vibration of rectangular plates is available only for plates with two opposite edges subject to simply supported conditions. Otherwise, they are analysed by using approximate methods. There are several approximate methods to conduct a vibration analysis, such as the Rayleigh-Ritz method, the Finite Element Method, the Finite Difference Method, and the Superposition Method. The Rayleigh-Ritz method and the finite element method give upper bound results for the natural frequencies of plates. However, there is a disadvantage in using this method in that the error due to discretisation cannot be calculated easily. Therefore, it would be good to find a suitable method that gives lower bound results for the natural frequencies to complement the results from the Rayleigh-Ritz method. The superposition method is also a convenient and efficient method but it gives lower bound solution only in some cases. Whether it gives upper bound or lower bound results for the natural frequencies depends on the boundary conditions. It is also known that the finite difference method always gives lower bound results. This thesis presents bounded eigenvalues, which are dimensionless form of natural frequencies, calculated using the superposition method and the finite difference method. All computations were done using the MATLAB software package. The convergence tests show that the superposition method gives a lower bound for the eigenvalues of fully clamped plates, and an upper bound for the completely free plates. It is also shown that the finite difference method gives a lower bound for the eigenvalues of completely free plates. Finally, the upper bounds and lower bounds for the eigenvalues of fully clamped and completely free plates are given.

<p>Photonic Crystal (PC) devices are the most exciting advancement in the field of photonics. The use of computational techniques has made considerable improvements in photonic crystals design. We present here an ultrahigh quality factor (Q) photonic crystal slab nanocavity formed by the local width modulation of a line defect. We show that only shifting two holes away from a line defect is enough to attain an ultrahigh Q value. We simulated this double heterostructure nano cavity by using Finite Difference Time Domain (FDTD) technique. We observed that photonic crystal cavities are very sensitive to the frequency, size and position of the source. So we must choose the right values for these parameters.</p>

This paper involves the calculation for composition of different layer used in laser structure and the simulation of cavity, formed by creating air columns in the InGaAsP medium, for square lattice. The aim of this project is to fabricate approximately zero threshold current lasers. This project involves FDTD simulation for optimizing dimension of the device, fabrication of laser structure and finally characterization of the device structure. / Singapore-MIT Alliance (SMA)

We present an immersed interface method for the incompressible Navier Stokes equations capable of handling rigid immersed boundaries. The immersed boundary is represented by a set of Lagrangian control points. In order to guarantee that the no-slip condition on the boundary is satisfied, singular forces are applied on the fluid at the immersed boundary. The forces are related to the jumps in pressure and the jumps in the derivatives of both pressure and velocity, and are interpolated using cubic splines. The strength of singular forces is determined by solving a small system of equations at each time step. The Navier-Stokes equations are discretized on a staggered Cartesian grid by a second order accurate projection method for pressure and velocity. / Singapore-MIT Alliance (SMA)

This study uses the PIC (Particle-in-cell) method to simulate unsteady three-dimensional dynamics of particles in argon plasma under low pressure, high density, and weak ionization between two planar electrodes subject to a sudden biased voltage. Plasma has been widely used in materials processing, film manufacturing, nuclear fusion, lamps, etc. Properties of plasmas are also becoming important area for research. This work includes elastic collisions between electrons and neutrals, ions and neutrals, and inelastic collisions resulting in ionization from impacting neutrals by electrons, and charge exchange between ions and neutrals, and Coulomb collisions between electrons and ions. The model ignores secondary electron emission, recombination between ions and electrons, and assumes uniform distribution of the neutrals having velocity of Maxwellian distribution. The computed results show the effects of elastic and inelastic collisions on the characteristics of plasma and sheath (space charge region) in front of the workpiece surface. Unsteady mass, momentum and energy transport from the bulk plasma through sheath to the workpiece is confirmatively and exploratorily studied after successful comparison between PIC prediction and experimental data has been made.

This paper provides an overview of the finite difference method and its application to approximating financial partial differential equations (PDEs) in incomplete markets. In particular, we study German’s [6] stochastic volatility PDE derived from indifference pricing. In [6], it is shown that the first order- correction to derivatives valued by indifference pricing can be computed as a function involving the stochastic volatility PDE itself. In this paper, we present three explicit finite difference models to approximate the stochastic volatility PDE and compare the resulting valuations to those generated by an Euler- Maruyama Monte Carlo pricing algorithm. We also discuss the significance of boundary condition choice for explicit finite difference models.

The primary objective of the presented research is to develop a class of integrated compact silicon diffractive sensors (CSDS) based on in-plane diffraction gratings. This class of sensors uses a silicon-on-insulator (SOI) substrate to limit costs, exploit established fabrication processes, enable integration of supporting electronics, and use the well-understood telecommunications wavelength of 1.55µm. Sensing is achieved by combining constant-diffraction-efficiency and highly-angularly-selective in-plane resonance-domain diffraction gratings. Detection is based on the diffraction efficiency of the highly angularly selective grating. In this research, the design processes for the constant-diffraction-efficiency and the highly angularly selective gratings are detailed. Grating designs are optimized with rigorous coupled-wave analysis (RCWA) and simulated with finite-difference time-domain (FDTD) analysis. Fabrication results are presented for the CSDS gratings. An inductively coupled plasma (ICP) Bosch etch process enables grating fabrication to within one percent of designed values with nearly vertical sidewalls. Experimental results are presented for individual CSDS gratings, the prototype sensor, and a prototype linear sensor array. The results agree well with simulation. The linear sensor array prototype demonstrates the intrinsic splitting mechanism and forms the basis of a 2-D sensor array. Finally, a toluene sensor was functionally demonstrated. The proof-of-concept device includes a polymer immobilization layer and microfluidic delivery of toluene. Toluene concentrations as low as 100ppm are measured, corresponding to a refractive index change of 3x10⁻⁴ RIU.

The aim of this thesis in the nanoelectronics domain is to present a contribution to the analysis of the quantum electronic transport phenomena in nanostructures. For this purpose, we specifically develop the phase field matching theory (PFMT). Within this algebraic approach the electronic properties of the system are described by the tight-binding formalism, whereas the analysis of the transport properties based on the phase matching of the electronic states of the leads to the states of the molecular nanojunctions. By comparing some of our results with those of the first principles methods, we have shown the correctness and fonctionality of our approach. Moreover, our method can be considered as a practical and general alternative to the Green's function-based techniques, and is applied in this work to model the electronic transport across mono and diatomic nanojunctions, consisting of mono and multivalent Na, Cu, Co, C, Si, Ga and As elements.

This paper examines and develops matrix methods to approximate the eigenvalues of a fourth order Sturm-Liouville problem subjected to a kind of fixed boundary conditions, furthermore, it extends the matrix methods for a kind of general boundary conditions. The idea of the methods comes from finite difference and Numerov's method as well as boundary value methods for second order regular Sturm-Liouville problems. Moreover, the determination of the correction term formulas of the matrix methods are investigated in order to obtain better approximations of the problem with fixed boundary conditions since the exact eigenvalues for q = 0 are known in this case. Finally, some numerical examples are illustrated.