Pseudopotential and tight-binding calculations of the bulk and surface electronic structure of solids

Thesis/Dissertation · Thu Sep 05 00:00:00 EDT 1974

DOI:https://doi.org/10.2172/4264280· OSTI ID:4264280

Chadi, Djamshid ^[1]

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1. Univ. of California, Berkeley, CA (United States)

The electronic structure of semiconductors, alloys, transition metal compounds, and the electronic states associated with surfaces are studied using the empirical pseudopotential and the tight-binding methods. Experimental data are extensively used to obtain information on the pseudopotential and tight-binding parameters, and to check the accuracy of the theoretical calculations. Reflectivity spectra, frequency dependent dielectric constants, densities of states and charge density distributions are calculated for a number of compounds and compared to corresponding experimental information when available.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: US Atomic Energy Commission (AEC)
• DOE Contract Number: W-7405-ENG-48
• NSA Number: NSA-31-006726
• OSTI ID: 4264280
• Report Number(s): LBL-3138
• Resource Relation: Other Information: Thesis. Orig. Receipt Date: 30-JUN-75
• Country of Publication: United States
• Language: English

Related Subjects

N50330* -Metals
Ceramics
& Other Materials-Plastics & Other Materials-Properties
Structure & Phase Studies
36 MATERIALS SCIENCE
*CRYSTALS- ELECTRONIC STRUCTURE
*METALS- ELECTRONIC STRUCTURE
*SEMICONDUCTOR MATERIALS- ELECTRONIC STRUCTURE
*SOLIDS- ELECTRONIC STRUCTURE