Gradient correction for positron states in solids

B. Barbiellini, M.J. Puska, T. Torsti, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

208 Citations (Scopus)
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Abstract

First-principles calculations of positron-annihilation characteristics in solids are usually based on the local-density approximation (LDA) for positron-electron correlation. The LDA systematically overestimates the annihilation rate. As a remedy we introduce a generalized gradient approximation (GGA). Our results for several metals and semiconductors show that the GGA systematically improves the predictive power of positron lifetime calculations over those based on the LDA. We compare also the resulting positron energy levels in solids with data from slow-positron experiments.
Original languageEnglish
Pages (from-to)7341-7344
Number of pages4
JournalPhysical Review B
Volume51
Issue number11
DOIs
Publication statusPublished - 1995
MoE publication typeA1 Journal article-refereed

Keywords

  • Positron annihilation
  • solids

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