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| HAL: jpa-00208799, version 1 |
| DOI: 10.1051/jphys:01978003906065100 |
| Detailed view |  Export this paper |
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| Journal de Physique 39, 6 (1978) 651-670 |
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| On the cohesion of covalent structures of elements in condensed phases. I. — cohesion of σ and π bands in a simple Hückel approximation |
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| J. Friedel |
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| (1978) |
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| 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 small. |
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| Subject | : | Physics/Physics archives |
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| bonds chemical – crystal binding – elements chemical – HMO calculations – LCAO calculations – liquid structure – noncrystalline state structure – tight binding calculations |
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| jpa-00208799, version 1 | |
| http://hal.archives-ouvertes.fr/jpa-00208799 | |
| oai:hal.archives-ouvertes.fr:jpa-00208799 | |
| From: Archives Journal de Physique | |
| Submitted on: Sunday, 1 January 1978 08:00:00 | |
| Updated on: Sunday, 1 January 1978 08:00:00 | |
