Studies in Graphite and Related Compounds I: Electronic Band Structure in Graphite
- 1 October 1952
- journal article
- Published by IOP Publishing in Proceedings of the Physical Society. Section A
- Vol. 65 (10) , 815-825
- https://doi.org/10.1088/0370-1298/65/10/305
Abstract
The Bloch (tight-binding) approximation is applied to a study of graphite The Mean energy per atom and the internuclear distance are calculated in good agreement with experiment. Previous accounts are extended by including certain overlap imegrals and by dealing with a set of parallel layer planes instead of only one plane. The shape of the band due to the π-electrons is calculated, and the experimental x-ray emission spectrum of graphite is interpreted It is concluded that the role of σ-electrons is greater than is often supposedKeywords
This publication has 20 references indexed in Scilit:
- π-σ Electronic states in molecules. I. The Hückel approximationProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1952
- π-σ Electronic states in molecules II. The singlet spectrum of ethylene and derivativesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1952
- Electronic levels in simple conjugated systems III. The significance of configuration interactionProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951
- The electronic structure of conjugated systems. VIProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1950
- Unit-cell dimensions of graphiteActa Crystallographica, 1950
- Application de la méthode des orbitales moléculaires au réseau du graphiteJournal de Chimie Physique et de Physico-Chimie Biologique, 1950
- Intensity measurements in the very soft X-ray regionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1948
- Energy Bands in GraphiteNature, 1947
- Two-centre integrals occurring in the theory of molecular structureMathematical Proceedings of the Cambridge Philosophical Society, 1942
- The electronic structure of some polyenes and aromatic molecules. VII. Bonds of fractional order by the molecular orbital methodProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1939