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Semiconductor and Optical Materials

Theses/Dissertations

Density Functional Theory

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Full-Text Articles in Electronic Devices and Semiconductor Manufacturing

Vertical Transport Study Of Iii-V Type-Ii Superlattices, Zahra Taghipour Nov 2018

Vertical Transport Study Of Iii-V Type-Ii Superlattices, Zahra Taghipour

Optical Science and Engineering ETDs

Type-II strained layer superlattice (T2SL) semiconductors hold great promise for mid- and long-wavelength infrared photodetectors. While T2SL-based materials have advanced significantly in the last three decades, an outstanding challenge to improve the T2SLs is to understand the carrier transport and its limitations, in particular along the superlattice growth layers.

In this dissertation, an overview of the current state-of-the-art InAs/GaSb T2SLs is presented. Fundamental semiconductor device equations and transport properties, including miniband conduction and the drift-diffusion parameters, are reviewed, and the fundamental limiting factors in carrier's transport are discussed. Furthermore, the standard method of electron-beam-induced current technique to measuring these parameters …


Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn Oct 2018

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …