On the cohesion of covalent structures of elements in condensed phases. I. — cohesion of σ and π bands in a simple Hückel approximation
- 1 January 1978
- journal article
- Published by EDP Sciences in Journal de Physique
- Vol. 39 (6), 651-670
- https://doi.org/10.1051/jphys:01978003906065100
Abstract
The cohesion of covalent structures is systematically studied in a simplified Hückel (LCAO) approximation which only allows for one type of interatomic transfer integral for each (σ or π) bond. Layers or chains structures with one or two broken σ bonds per atom are compared with saturated or conjugated spn structures. These are also compared with compact metallic sp and with covalent p structures. The overall description is in qualitative agreement with experiment; but cohesive energies are too large and the relative stability of layer and chain structures of tetra, penta and hexavalent elements is too smallKeywords
This publication has 9 references indexed in Scilit:
- The physics of clean metal surfacesAnnales de Physique, 1976
- Covalence dans les structures élémentaires et les composés AB. I. Théorème de Leman, Thorpe et WeaireJournal de Physique, 1973
- On the splitting of dislocations in the diamond cubic latticeJournal of the Less Common Metals, 1972
- Local order in liquid telluriumJournal de Physique, 1971
- Modules élastiques des métaux de transitionJournal de Physique, 1970
- On the electronic structure of liquid transitional metalsAdvances in Physics, 1967
- Crystal Structures Adopted by Black Phosphorus at High PressuresScience, 1963
- Stacking Fault Energy in SiliconJournal of Applied Physics, 1962
- Quantentheoretische Beitr ge zum BenzolproblemThe European Physical Journal A, 1931