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1995 | 88 | 6 | 1133-1141
Article title

Electronic Structure of KMgH_{3}, KMgH_{2}F, KMgF_{3} with the Perovskite Structure

Content
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Languages of publication
EN
Abstracts
EN
The electronic structures of fluoroperovskite KMgF_{3}, hydridoperovskite KMgH_{3} and the dihydrido-fluoro derivated KΜgH_{2}F have been investi­gated. The energy bands, density of electronic states and partial wave anal­ysis of the density of electronic states have been determined by means of the non-self-consistent augmented plane wave method with the von Barth­-Hedin parametrization for the exchange-correlation term. Our results indi­cate that all three compounds are ionic insulators. Replacing the hydrogen atom by fluorine atom leads to increasing in the energy gap.
Keywords
EN
Year
Volume
88
Issue
6
Pages
1133-1141
Physical description
Dates
published
1995-12
received
1995-05-16
(unknown)
1995-06-30
Contributors
author
  • Institute of Physical and Theoretical Chemistry, Technical University of Wrocław, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland
author
  • Institut de Sciences des Materiaux, CNRS URA-446, Bâtiment 415, Université de Paris-Sud, 91405 Orsay, Cedex, France
author
  • Institut de Sciences des Materiaux, CNRS URA-446, Bâtiment 415, Université de Paris-Sud, 91405 Orsay, Cedex, France
author
  • Institute of Physical and Theoretical Chemistry, Technical University of Wrocław, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland
References
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Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv88z610kz
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