Abstract
We have obtained the valence electron and positron charge densities in InP from wavefunctions derived in a model pseudopotential bandstructure calculation at normal and under hydrostatic pressure. We find 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 InP.
Original language | English |
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Pages (from-to) | 373-381 |
Number of pages | 9 |
Journal | Computational Materials Science |
Volume | 1 |
Issue number | 4 |
DOIs | |
Publication status | Published - Oct 1993 |
Externally published | Yes |
ASJC Scopus subject areas
- General Computer Science
- General Chemistry
- General Materials Science
- Mechanics of Materials
- General Physics and Astronomy
- Computational Mathematics