Accession Number : AD0657435

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

Corporate Author : CHICAGO UNIV ILL

Personal Author(s) : Phillips,J. C.

Report Date : 1967

Pagination or Media Count : 21

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)

Descriptors :   (*CRYSTALS, *CHEMICAL BONDS), CRYSTAL STRUCTURE, THEORY, CRYSTAL LATTICES, DEFORMATION, DIAMONDS, INTERACTIONS, ATOMIC ORBITALS, NEUTRON DIFFRACTION, METALS, ELECTRONS, PHONONS

Subject Categories : Crystallography
      Atomic and Molecular Physics and Spectroscopy
      Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE