Electronic Structures of Cadmium Sulfide and Zinc Oxide

The first self-consistent a.ll-electron energy band calculation of cadmium sulfide uSing ~ initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. The band gap is found to be direct and equal to 7.1 eVe No simple explanation for the anomalous diamagnetism observed experimentally is found in the calculations of the zinc-blende form. Energy band calculations are performed on zinc oxide to determine its electronic structure, and the computed bands agree with optical measurements of the valence bands.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Physics

Year dc:date

2011

Author dc:creator

• Cochran, Gregory Mark

Contributors dc:contributor

• Kunz, A.B.

• cadmium sulfide
• zinc oxide
• electronic energy band structures

Statement dc:rights

• © Gregory Mark Cochran

Language dc:language

en

Identifier

537461

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/25267