Abstract
Annihilation characteristics for positrons trapped at metal vacancies are calculated from first principles. The calculations are based on different implementations of the two-component density-functional theory, and different numerical methods to solve the ensuing Kohn-Sham equations have been employed. The convergence of the positron annihilation characteristics calculated within different schemes is discussed, and the positron lifetimes obtained are compared with experiment.
| Original language | English |
|---|---|
| Pages (from-to) | 15016-15024 |
| Number of pages | 9 |
| Journal | Physical Review B |
| Volume | 54 |
| Issue number | 21 |
| DOIs | |
| Publication status | Published - 1 Dec 1996 |
| MoE publication type | A1 Journal article-refereed |
Keywords
- metal vacancies
- positron annihilation