Form factors of metallic aluminium from an atom-in-jellium-vacancy model
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||8|
|Journal||Journal of Physics F: Metal Physics|
|Publication status||Published - 1987|
|Publication type||A1 Journal article-refereed|
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.