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Positron and electron energy bands in several ionic crystals using restricted Hartree-Fock method

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
39
Issue
7
Identifiers
DOI: 10.1016/0038-1098(81)90524-x

Abstract

Abstract Using a restricted Hartree-Fock formalism and suitably localized and symmetrized wave functions, both the positron and electron energy bands were calculated for NaF, MgO and NiO. The lowest positron state at Γ 1 lies above the vacuum level and negative work functions are predicted. Positron annihilation rates were calculated and found to be in good agreement with measured lifetimes.

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