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Studies of positron annihilation at metal vacancies with two‐component positron‐electron density functional theory
Author(s) -
Boroński E.
Publication year - 1987
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170221214
Subject(s) - positron , annihilation , vacancy defect , positron annihilation , electron , atomic physics , component (thermodynamics) , density functional theory , physics , nuclear physics , condensed matter physics , quantum mechanics
Abstract Recently, the fully self‐consistent two‐component density‐functional theory for electronpositron systems has been developed. The scheme is applied here in further calculations of positron annihilation in metal vacancies. In particular, angular correlation of positronelectron annihilation photons for Al vacancy is calculated and compared with conventional result. As important in some cases, the influence of self‐interaction corrections on the results is discussed. Besides, the positron binding energies to vacancies containing H and He are calculated. They are considerably different then ones obtained in one‐component approach.