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The valence electron and positron charge densities in InAs and InSb are obtained from wave functions derived in a model pseudopotential band-structure calculation. It is found that the positron density is maximum in the open interstices and is excluded not only, as usual, from the ion cores but also to a considerable degree from the valence bonds. Electron-positron momentum densities are calculated for the (001–110) plane. The results are used to analyze the positron effect in narrow-gap semiconductors.

The electron and positron charge densities are calculated as a function of position in the unit cell for two diamond and zincblende semiconductors, using wave functions derived from nonlocal pseudopotential band structure calculations for the electronic part, and the positron wave functions are calculated for single-particle approximation in manner which is free of any theoretical assumptions. Les densites de charge electronique et positronique sont calculees en fonction de la position dans la maille cellulaire pour deux semiconducteurs de structures diamant et zinc-blende. Pour la partie electronique, les fonctions d'onde sont obtenues a partir des calculs de structure de bande utilisant le pseudopotentiel non local. Les fonctions d'onde du positron sont calculees a partir de l'approximation qui consiste a ne considerer qu'une seule particule.

A computational technique is developed to evaluate electron and electron—positron momentum densities in silicon and germanium and the use of these to provide means of interpreting the k-space densities obtained by experimentalis's using the two-dimensional angular correlation of positron annihilation radiation technique (2D ACAR). As a consequence of the good agreement observed in the momentum densities and the LCW folded data obtained for silicon and germanium the independent particle approximation (IPM) coupled with the use of electron pseudo-wavefunctions represent an excellent starting point for a systematic many-particle description of the process, since significant deviations from the experimental angular correlation distribution can be ascribed to the electron—positron and electron—electron interactions. Nous presentons dans ce papier le developpement des techniques de calcul computationnelles pour evaluer les densites de moment de l'electron et de l'electron—positron dans le cas du silicium et du germanium. L'utilisation de ces techniques donne les moyens d'interpreter les densitěs dans l'espace des k obtenues par les experimentateurs utilisant la correlation angulaire a deux dimensions de la technique d'annihilation des positrons (2D ACAR). Le bon accord observe entre les densites de moment et les donnees obtenues par le theoreme LCW pour le silicium et le germanium montre que l'approximation de la particule independante (IPM) associee aux pseudofonctions d'onde de l'electron constitue un excellent point de depart pour la description systematique du processus a plusieurs particules. les ecarts entre les resultats calcules et experimentaux de la distribution de la correlation angulaire peuvent ětre attribues aux interactions electron—electron et electron—positron.