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

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)

Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1967
Accession Number
AD0657435

Entities

People

  • J. C. Phillips

Organizations

  • University of Chicago

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Covalent Bonds
  • Crystal Lattice Vibrations
  • Crystal Lattices
  • Diffraction
  • Electromagnetic Scattering
  • Inclusions
  • Neutron Scattering
  • Scattering
  • Spectra
  • Vibration
  • Wave Phenomena

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference