Gradient correction for positron states in solids
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© 1995 American Physical Society (APS). This is the accepted version of the following article: Barbiellini, B. & Puska, M. J. & Torsti, T. & Nieminen, Risto M. 1995. Gradient correction for positron states in solids. Physical Review B. Volume 51, Issue 11. 7341-7344. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.51.7341, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.51.7341.
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Date
1995
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Mcode
Degree programme
Language
en
Pages
7341-7344
Series
Physical Review B, Volume 51, Issue 11
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.Description
Keywords
positron annihilation, solids
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Citation
Barbiellini, B. & Puska, M. J. & Torsti, T. & Nieminen, Risto M. 1995. Gradient correction for positron states in solids. Physical Review B. Volume 51, Issue 11. 7341-7344. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.51.7341.