University of Illinois Urbana-Champaign

Electronic properties of diamond and silicon

Hall, Kent Miner

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Description

Title
Electronic properties of diamond and silicon
Author(s)
Hall, Kent Miner
Issue Date
1976
Doctoral Committee Chair(s)
Kunz, A.B.
Department of Study
Physics
Discipline
Physics
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
  • electronic properties
  • diamond
  • silicon
  • Hartree-Fock
  • first-order density matrix
Language
en
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.
Type of Resource
text
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http://hdl.handle.net/2142/25661
Copyright and License Information
1976 Kent Miner Hall

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Dissertations and Theses - Physics
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Graduate Theses and Dissertations at Illinois