Physical Sciences and Mathematics Commons^™

From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi

Graduate Theses, Dissertations, and Problem Reports

Density-functional theory (DFT) has gained popularity because of its ability to predict the properties of a large group of materials a priori. Even though DFT is exact, there are inaccuracies introduced into the theory due to the approximations in the exchange-correlation (XC) functionals. Over the 50 years of its existence, scientists have tried to improve the design of the XC functionals. The errors introduced by these functionals are not consistent across all types of solid-state materials. In this project, a high throughput framework was utilized to compare the theoretical DFT predictions with the experimental results available in the Inorganic Crystal …

Development Of Computational Methods For Electronic Structural Characterization Of Strongly Correlated Materials: From Different Ab-Initio Perspectives, Uthpala K. Herath

Graduate Theses, Dissertations, and Problem Reports

The electronic correlations in materials drive a variety of fascinating phenomena from magnetism to metal-to-insulator transitions (MIT), which are due to the coupling between electron spin, charge, ionic displacements, and orbital ordering. Although Density Functional Theory (DFT) successfully describes the electronic structure of weakly interacting material systems, being a static mean-field approach, it fails to predict the properties of Strongly Correlated Materials (SCM) that include transition and rare earth metals where there is a prominent electron localization as in the case of d and f orbitals due to the nature of their spatial confinement.

Dynamical Mean Field Theory (DMFT) is …

Hot-Carrier Dynamics And Transport Mechanisms In Inas/Alassb Multiple Quantum Wells, Herath Pathiranage Janaka Chathuranga Piyathilaka

Graduate Theses, Dissertations, and Problem Reports

Semiconductor photovoltaics convert light into electricity through the extraction of photo-excited charge carriers. Among the most important parameters for a photovoltaic cell are good optical absorption in the desired region of the electromagnetic spectrum, and sufficient excited-state lifetimes and mobilities of the photocarriers to allow for charge separation and extraction before recombination. For solar cell applications there are significant challenges to overcome to improve the efficiency of the light-to-electricity conversion. The cells are most commonly made of silicon, which has a nearly perfect bandgap for absorbing the most solar radiation, an indirect bandgap to give a long photocarrier lifetime and …

Characterization And Coherent Spin Selective Manipulation Of Quantum Dot Energy Levels, Tristan Anthony Wilkinson

Graduate Theses, Dissertations, and Problem Reports

Semiconductor quantum dots (QDs) are promising candidates to fulfill a wide range of applications in real-world quantum computing, communication, and networks. Their excellent optical properties such as high brightness, single-photon purity, and narrow linewidths show potential utility in many areas. In order to realize long term goals of integration into complex and scalable quantum information systems, many current challenges must be overcome. One of these challenges is accomplishment of all necessary computing operations within a QD, which might be enabled by coherent manipulation of single QD energy level structures. In the realm of scalability for quantum devices, a way to …

Charge Dynamics Of Inas Quantum Dots Under Resonant And Above-Band Excitation, Gary R. Lander Jr

Graduate Theses, Dissertations, and Problem Reports

Research involving light-matter interactions in semiconductor nanostructures has been an interesting topic of investigation for decades. Many systems have been studied for not only probing fundamental physics of the solid state, but also for direct development of technological advancements. Research regarding self-assembled, epitaxially grown quantum dots (QDs) has proven to be prominent in both regards. The development of a reliable, robust source for the production of quantum bits to be utilized in quantum information protocols is a leading venture in the world of condensed matter and solid-state physics. Fluorescence from resonantly driven QDs is a promising candidate for the production …