Pressure dependence of positron annihilation in boron phosphide

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3 Citations (Scopus)

Abstract

We have obtained the valence electron and positron charge densities in boron phosphide from wavefunctions derived in a model pseudopotential band structure calculation. The charge densities are calculated at pressures ranging from 0 to 90 GPa. We find 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 momentum densities are calculated in the (001-110) plane. The observation that the total positron annihilation rate increases with pressure has been explained in terms of increased positron penetration into the ion cores.

Original languageEnglish
Pages (from-to)9-21
Number of pages13
JournalSuperlattices and Microstructures
Volume33
Issue number1-2
DOIs
Publication statusPublished - Jan 1 2003

Keywords

  • Bandstructure
  • Charge density
  • Momentum density
  • Positron annihilation
  • Pseudopotential

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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