Accession Number:

AD0657435

Title:

THE COVALENT BOND IN CRYSTALS. IV. LATTICE DEFORMATION ENERGIES,

Descriptive Note:

Corporate Author:

CHICAGO UNIV ILL

Personal Author(s):

Report Date:

1967-01-01

Pagination or Media Count:

21.0

Abstract:

A general method is described for calculating lattice deformation energies in covalent structures. The formulae are presented explicitly for harmonic energies in diamond-type crystals. The theory differs intrinsically from linear screening theories because of the inclusion of bond stretching terms. These are calculated using a dynamical covalent sum rule. The results show that bond stretching leads to large bond-bond interaction energies that are similar to those in a nearest neighbor classical shell model. The theory can be used to infer the covalent screening function from lattice vibration spectra measured by inelastic neutron scattering. Author

Subject Categories:

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

Distribution Statement:

APPROVED FOR PUBLIC RELEASE