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.Peer reviewe
We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling...
Measuring the Doppler broadening of the positron annihilation radiation or the angular correlation b...
The positron and electron band structures are calculated for the rare-gas solids Ne, Ar, Kr, and Xe ...
First-principles calculations of positron-annihilation characteristics in solids are usually based o...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The self-consistent electron densities and the corresponding positron states are calculated for seve...
A theory for calculating the momentum distribution of annihilating positron-electron pairs in solids...
Publisher Copyright: © 2022 American Physical Society.We present an analysis of positron lifetimes i...
Annihilation characteristics for positrons trapped at metal vacancies are calculated from first prin...
We report a computational first-principles study of positron trapping at vacancy defects in metals a...
Theoretical models are presented for the enhancement of the electron density at a positron in a semi...
This Letter reports on the first discrete-lattice calculation of positron surface states on the surf...
We report a computational first-principles study of positron trapping at vacancy defects in metals a...
We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling...
Measuring the Doppler broadening of the positron annihilation radiation or the angular correlation b...
The positron and electron band structures are calculated for the rare-gas solids Ne, Ar, Kr, and Xe ...
First-principles calculations of positron-annihilation characteristics in solids are usually based o...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The generalized gradient correction method for positron-electron correlation effects in solids [B. B...
The self-consistent electron densities and the corresponding positron states are calculated for seve...
A theory for calculating the momentum distribution of annihilating positron-electron pairs in solids...
Publisher Copyright: © 2022 American Physical Society.We present an analysis of positron lifetimes i...
Annihilation characteristics for positrons trapped at metal vacancies are calculated from first prin...
We report a computational first-principles study of positron trapping at vacancy defects in metals a...
Theoretical models are presented for the enhancement of the electron density at a positron in a semi...
This Letter reports on the first discrete-lattice calculation of positron surface states on the surf...
We report a computational first-principles study of positron trapping at vacancy defects in metals a...
We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling...
Measuring the Doppler broadening of the positron annihilation radiation or the angular correlation b...
The positron and electron band structures are calculated for the rare-gas solids Ne, Ar, Kr, and Xe ...