Self-consistent electron densities in metal vacancies

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Abstract

The Hartree-Fock method in the density functional formalism is applied to calculate the self-consistent electron densities in metal vacancies. Comparison shows that the mere Thomas-Fermi method describes fairly well the electron density over the whole metallic range. The calculated annihilation characteristics of positions trapped at vacancies agree well with experimental results. The formation energies of vacancies are found to be sensitive to the lattice model.

Details

Original languageEnglish
Pages (from-to)831-834
Number of pages4
JournalSolid State Communications
Volume16
Issue number7
Publication statusPublished - 1 Apr 1975
MoE publication typeA1 Journal article-refereed

ID: 6577536