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

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1996
Major/Subject
Mcode
Degree programme
Language
en
Pages
16201-16213
Series
Physical Review B, Volume 53, Issue 24
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.
Description
Keywords
positron annihilation, solids
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Citation
Barbiellini, B. & Puska, M. J. & Korhonen, T. & Harju, A. & Torsti, T. & Nieminen, Risto M. 1996. Calculation of positron states and annihilation in solids: A density-gradient-correction scheme. Physical Review B. Volume 53, Issue 24. 16201-16213. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.53.16201.