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Files | Description | Format |
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application/pdf ![]() ![]() | 1976_hall |
Description
Title: | Electronic properties of diamond and silicon |
Author(s): | Hall, Kent Miner |
Doctoral Committee Chair(s): | Kunz, A.B. |
Department / Program: | Physics |
Discipline: | Physics |
Degree: | Ph.D. |
Genre: | Dissertation |
Subject(s): | electronic properties
diamond silicon Hartree-Fock first-order density matrix |
Abstract: | Hartree-Fock electron energy bands for Silicon have been obtained, and the energy dependent imaginary part of the dielectric constant has been obtained from the theoretical Hartree-Fock results. These theoretical results are compared with experimental data and other theory. It is found that this is the first self-consistent Silicon band calculation to predict the correct ordering of the lower conduction bands at the center of the zone. The method used consists of obtaining the self-consistent first-order density matrix by means of a modified form of the Adams~Gi1bert local orbitals equation, which solves the Hartree-Fock problem in a rotated space. Special techniques are presented for obtaining the solutions to this equation for the case of covalent materials. Electron-electron correlation is added via a recently modified version of the electronic polaron method which is suitable for wide band narrow gap materials. Theoretical X-ray structure factors are also obtained for Silicon as well as for diamond. These are obtained directly from.the local orbitals and agree very well with experimental results. |
Issue Date: | 1976 |
Genre: | Dissertation / Thesis |
Type: | Text |
Language: | English |
URI: | http://hdl.handle.net/2142/25661 |
Rights Information: | 1976 Kent Miner Hall |
Date Available in IDEALS: | 2011-07-05 |
Identifier in Online Catalog: | 2536441 |
This item appears in the following Collection(s)
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Dissertations and Theses - Physics
Dissertations in Physics -
Graduate Dissertations and Theses at Illinois
Graduate Theses and Dissertations at Illinois