Lattice mismatch consequences for the intrinsic characteristics in the dilute (Zn, Se)O alloys

A. Belabbes*, A. Zaoui, M. Ferhat

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

By means of ab initio pseudopotential calculations, we investigate the effect of lattice mismatch on the intrinsic properties in the dilute ZnO xSe1-x alloys. The substitution of isovalent elements having a large electronegativity and size mismatch with respect to the replaced atoms leads to strong nonlinear effects in the properties of the host crystal. From a detailed analysis of the bowing, we notice that the relative contribution of the three components (volume, charge exchange, and strain) shows that the most significant effect is caused by the structural relaxation.

Original languageEnglish (US)
Article number456212
JournalJournal of Physics Condensed Matter
Volume19
Issue number45
DOIs
StatePublished - Nov 14 2007
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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