Atomic displacements caused by divalent impurity-vacancy pairs in NaCl

P. Kálmán, T. Keszthelyi, A. Tóth, J. Sárközi

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The binding energies of divalent impurity ions and positive ion vacancies situated at the distance of next nearest neighbours and the atomic displacements around this type of lattice imperfections have been computed in NaCl crystals using the semiclassical Born-Mayer model of ionic solids. The procedure followed in calculating the binding energies of complexes containing Be, Mg, Ca, Sr, Ba, Zn, Cd, Hg and Pb was based on the method developed by Reitz and Gammel. The calculations were carried out with and without the inclusion of the Van der Waals interaction. The numerical results show that in agreement with the experimental data, the binding energy increases with the ionic radius of the impurity.

Original languageEnglish
Pages (from-to)407-414
Number of pages8
JournalActa Physica Academiae Scientiarum Hungaricae
Volume49
Issue number4
DOIs
Publication statusPublished - Oct 1980

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binding energy
impurities
positive ions
crystal defects
ions
inclusions
radii
crystals
interactions

ASJC Scopus subject areas

  • Nuclear and High Energy Physics

Cite this

Atomic displacements caused by divalent impurity-vacancy pairs in NaCl. / Kálmán, P.; Keszthelyi, T.; Tóth, A.; Sárközi, J.

In: Acta Physica Academiae Scientiarum Hungaricae, Vol. 49, No. 4, 10.1980, p. 407-414.

Research output: Contribution to journalArticle

Kálmán, P. ; Keszthelyi, T. ; Tóth, A. ; Sárközi, J. / Atomic displacements caused by divalent impurity-vacancy pairs in NaCl. In: Acta Physica Academiae Scientiarum Hungaricae. 1980 ; Vol. 49, No. 4. pp. 407-414.
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