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Form factors of metallic aluminium from an atom-in-jellium-vacancy model

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Details

Original languageEnglish
Article number015
Pages (from-to)877-884
Number of pages8
JournalJournal of Physics F: Metal Physics
Volume17
Issue number4
DOIs
Publication statusPublished - 1987
Externally publishedYes
Publication typeA1 Journal article-refereed

Abstract

Atomic form factors of metallic aluminium have been calculated within the spherical atom-in-jellium-vacancy model and using the local density approximation. The form factors obtained are in good agreement with those from X-ray diffraction experiments, and agree surprisingly well with those from other calculations where the full three-dimensional lattice structure of the metal crystal is taken into account. This leads to the conclusion that the non-spherical part of the conduction electron density plays only a minor role in determining the atomic form factors of aluminium metal. Furthermore, a self-consistent spherical-solid model is used to include spherically averaged potentials of neighbouring ions and the consequent effects on the form factors are examined.