Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

B. Barbiellini, M.J. Puska, T. Korhonen, A. Harju, T. Torsti, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

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Abstract

The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.
Original languageEnglish
Pages (from-to)16201-16213
Number of pages13
Journal Physical Review B (Condensed Matter)
Volume53
Issue number24
DOIs
Publication statusPublished - 15 Jun 1996
MoE publication typeA1 Journal article-refereed

Keywords

  • positron annihilation

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