Ab initio study of positron trapping at a vacancy in GaAs

Lise Gilgien, Giulia Galli, François Gygi, Roberto Car

Research output: Contribution to journalArticlepeer-review

70 Scopus citations


We present a first-principles study of positron trapping at a negatively charged As vacancy in GaAs. Lattice relaxations induced both by the presence of the defect and of the positron have been included in a self-consistent way. In the presence of a positron, the volume of the vacancy increases and its symmetry is lowered. The positron wave function is well localized in the defect. Calculated positron lifetime and angular correlations of annihilation photons are in good agreement with recent experiments.

Original languageEnglish (US)
Pages (from-to)3214-3217
Number of pages4
JournalPhysical review letters
Issue number20
StatePublished - 1994
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


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