Modeling positron-electron correlations in solids

L. Gilgien, R. Car, D. M. Ceperley

Research output: Contribution to journalArticle

Abstract

Two new LDA parametrizations for positron-electron correlations are proposed on the basis of Quantum Monte Carlo results in an homogeneous 2-component jellium. They are tested towards Quantum Monte Carlo results in a simple inhomogeneous model before being applied to the study of positron trapping at As vacancies in GaAs. In both systems, one parametrization overestimates the positron localization whereas the other one underestimates it.

Original languageEnglish (US)
Pages (from-to)52-56
Number of pages5
JournalMaterials Science Forum
Volume255-257
DOIs
StatePublished - Jan 1 1997

Keywords

  • Defects in Semiconductors
  • First-Principles Molecular Dynamics and 2D-ACAR
  • Positron-Electron Correlations
  • Quantum Monte Carlo

ASJC Scopus subject areas

  • Materials Science(all)

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