Accession Number:

ADA014739

Title:

Improvements, Extensions and Applications of the Method of Tight Binding.

Descriptive Note:

Earl E. /Lafon ;Richard /Heaton ;Paul /Kervin

Corporate Author:

OKLAHOMA STATE UNIV STILLWATER RESEARCH FOUNDATION

Personal Author(s):

Report Date:

1975-06-01

Pagination or Media Count:

52.0

Abstract:

Improved methods are presented for applying the method tight binding LCAO along with specific applications to bulk properties which can be compared directly with experiment. Such bulk properties as x-ray form factors, density of states, optical dielectric response, x-ray absorption, and Compton profile are investigated with specific applications to diamond, silicon and lithium fluoride in order to permit direct comparison with experiment. Additionally, the validity and quantitative accuracy of such concepts as the covalent bond description of the valence bands of diamond and silicon are investigated.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy
  • Solid State Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE