title: Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation.
abstract: Positron annihilation spectroscopy is often used to analyze the local electronic structure of materials of technological interest. Reliable theoretical tools are crucial to interpret the measured spectra. Here, we propose a parameter-free gradient correction scheme for a local-density approximation obtained from high-quality quantum Monte Carlo data. The results of our calculations compare favorably with positron affinity and lifetime measurements, opening new avenues for highly precise and advanced positron characterization of materials.
authors.affiliation: Department of Physics, Northeastern University, Boston, Massachusetts 02115, USA.
authors.forename: Bernardo
authors.initials: B
authors.lastname: Barbiellini
authors.affiliation: Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, CZ-180 00 Prague, Czech Republic.
authors.forename: Jan
authors.initials: J
authors.lastname: Kuriplach