Etude de la structure électronique des hydrocarbures linéaires saturés en fonction de leur taille. I. Evolution d'un niveau électronique vers une structure de bande

Translated title of the contribution: Study of the electronic structure of linear saturated hydrocarbons as a function of their size: I. Evolution of an electronic level towards a band structure

Jean-Jacques Pireaux, Roland Caudano, S. SVENSSON, E. BASILIER, P-A. MALMQVIST, U. GELIUS, K. SIEGBAHN

Research output: Contribution to journalArticle

Abstract

The valence electronic levels of the linear alkanes have been studied in the gas and solid phases by electron spectroscopy (AlKα) and ab initio calculations. With increasing size these quasi-linear molecules show the formation of a band structure. It appears that n-tridecane provides a convenient finite model for simulating the band structure of an infinite solid. The influence of aggregation is found to be small compared with the variation of the interatomic distances in the molecules.
Translated title of the contributionStudy of the electronic structure of linear saturated hydrocarbons as a function of their size: I. Evolution of an electronic level towards a band structure
Original languageFrench
Pages (from-to)1213-1220
Number of pages8
JournalJournal de physique
Volume38
Issue number10
DOIs
Publication statusPublished - 1977

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