Gradient correction for positron states in solids

Journal Article · Wed Mar 15 04:00:00 EST 1995 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.51.7341· OSTI ID:6544397

Barbiellini, B; Puska, M J; Torsti, T; Nieminen, R M ^[1]

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1. Laboratory of Physics, Helsinki University of Technology, 02150 Espoo (Finland)

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.

• OSTI ID: 6544397
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 51:11; ISSN 0163-1829; ISSN PRBMDO
• Country of Publication: United States
• Language: English

Related Subjects

665100* -- Nuclear Techniques in Condensed Matter Physics -- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANNIHILATION
BASIC INTERACTIONS
CALCULATION METHODS
COLLISIONS
CORRELATIONS
ELECTROMAGNETIC INTERACTIONS
ELECTRONIC STRUCTURE
ENERGY LEVELS
INTERACTIONS
LIFETIME
PARTICLE INTERACTIONS
POSITRON COLLISIONS