Accession Number:

AD0657432

Title:

THE COVALENT BOND IN CRYSTALS. I. ELEMENTS OF A STRUCTURAL THEORY,

Descriptive Note:

Corporate Author:

CHICAGO UNIV ILL

Personal Author(s):

Report Date:

1967-01-01

Pagination or Media Count:

34.0

Abstract:

An a posteriori theory is developed for the structural energy of covalent crystals. The microscopic theory is based on ionic pseudopotentials and valence dielectric screening. The theory explains the difference between empirical pseudopotential form factors derived from the optical spectra of semiconductors and the metallic form factors calculated from free ion term values by Animalu and Heine. A by-product of the theory, which utilizes Penns model isotropic semiconductor dielectric function, is a relation between the covalent bonding charge and the macroscopic dielectric constant. The extension of the theory to III-V and II-VI semiconductors is described briefly. The theory may be used to calculate elastic and macroscopic dielectric properties of covalent crystals starting only from ionic pseudopotential form factors. Author

Subject Categories:

  • Crystallography
  • Atomic and Molecular Physics and Spectroscopy
  • Solid State Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE