Self-consistent electron densities in metal vacancies

R. Nieminen; M. Manninen; P Hautojärvi; J. Arponen

doi:10.1016/0038-1098(75)90873-X

Self-consistent electron densities in metal vacancies

R. Nieminen
, M. Manninen
, P Hautojärvi
, J. Arponen

Department of Applied Physics

Research output: Contribution to journal › Article › Scientific › peer-review

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.

Original language	English
Pages (from-to)	831-834
Number of pages	4
Journal	Solid State Communications
Volume	16
Issue number	7
DOIs	https://doi.org/10.1016/0038-1098(75)90873-X
Publication status	Published - 1 Apr 1975
MoE publication type	A1 Journal article-refereed

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title = "Self-consistent electron densities in metal vacancies",

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.",

author = "R. Nieminen and M. Manninen and P Hautoj{\"a}rvi and J. Arponen",

year = "1975",

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doi = "10.1016/0038-1098(75)90873-X",

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T1 - Self-consistent electron densities in metal vacancies

AU - Nieminen, R.

AU - Manninen, M.

AU - Hautojärvi, P

AU - Arponen, J.

PY - 1975/4/1

Y1 - 1975/4/1

N2 - 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.

AB - 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.

U2 - 10.1016/0038-1098(75)90873-X

DO - 10.1016/0038-1098(75)90873-X

M3 - Article

SN - 0038-1098

VL - 16

SP - 831

EP - 834

JO - Solid State Communications

JF - Solid State Communications

IS - 7

ER -

Self-consistent electron densities in metal vacancies

Abstract

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