Theoretical Studies of Positron Annihilation in Aluminum Bismuth Alloy

摘要

Electron and positron charge densities are calculated as a function of position in the unit cell for Aluminum Bismuth binary compound. Wave functions are derived from pseudopotential band structure calculations and the independent particle approximation (IPM), respectively, for the electrons and the positrons. It is observed that the positron density is maximum in the open interstices and is excluded not only, from the ion cores but also to a considerable degree from the valence bonds. Electron-positron momentum densities are calculated for (001, 110) planes. The results are used to analyze the positron effects in AlBi.