Journal article

Full potential calculation of structural, electronic and optical properties of KMgF₃

  • Sahnoun, Mohammed Department of Chemistry, University of Fribourg, Switzerland
  • Zbiri, Mohamed Department of Chemistry, University of Fribourg, Switzerland
  • Daul, Claude A. Department of Chemistry, University of Fribourg, Switzerland
  • Khenata, R. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Algeria
  • Baltache, H. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Algeria
  • Driz, M. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Algeria
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    18.12.2004
Published in:
  • Materials Chemistry and Physics. - 2005, vol. 91(1), p. 185-191
English A theoretical study of the structural, electronic and optical properties of KMgF₃ is presented using the full-potential linearized augmented plane wave method (FP-LAPW). In this approach, the local density approximation was used for the exchange-correlation potentials. First, we present the main features of the structural and electronic properties of this compound, where the electronic band... Show more…
Faculty
Faculté des sciences
Department
Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/299627