Chemical pseudopotential approach to covalent bonding. II. Bond lengths and bond energies in diamond, silicon and graphite
- 7 September 1975
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 8 (17), 2707-2714
- https://doi.org/10.1088/0022-3719/8/17/010
Abstract
For pt.I see ibid., vol.8, p.2695 (1975). Bond energy curves for carbon and silicon are derived using a bonding orbital basis and a 'nearest-atom' approximation for the potential. When interactions between neighbouring atomic cells are included, good agreement is obtained with observed bond lengths, bulk moduli and bond energies.Keywords
This publication has 14 references indexed in Scilit:
- A chemical pseudopotential approach to covalent bonding. IJournal of Physics C: Solid State Physics, 1975
- Renormalized Atoms and the Band Theory of Transition MetalsPhysical Review B, 1972
- Origin of the minimum in the total energy curve of diamond using the extended Hückel theoryJournal de Physique, 1972
- Lattice distortion near vacancies in diamond and silicon. IiJournal of Physics C: Solid State Physics, 1971
- Localized Orbitals for Molecular Quantum Theory. I. The Hückel TheoryPhysical Review B, 1969
- Extended Hückel Theory and the Shape of MoleculesThe Journal of Chemical Physics, 1967
- Effect of High Pressure on the Lattice Parameters of Diamond, Graphite, and Hexagonal Boron NitrideThe Journal of Chemical Physics, 1966
- An Extended Hückel Theory. I. HydrocarbonsThe Journal of Chemical Physics, 1963
- Electronegativity. I. Orbital Electronegativity of Neutral AtomsJournal of the American Chemical Society, 1962
- Studies in Graphite and Related Compounds I: Electronic Band Structure in GraphiteProceedings of the Physical Society. Section A, 1952