- Tytuł:
- Electronic Structure of KMgH$\text{}_{3}$, KMgH$\text{}_{2}$F, KMgF$\text{}_{3}$ with the Perovskite Structure
- Autorzy:
-
Balawender, R.
Gupta, M.
Orgaz, E.
Komorowski, L. - Powiązania:
- https://bibliotekanauki.pl/articles/1943944.pdf
- Data publikacji:
- 1995-12
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.20.Cf
71.25.Pi - Opis:
- The electronic structures of fluoroperovskite KMgF$\text{}_{3}$, hydridoperovskite KMgH$\text{}_{3}$ and the dihydrido-fluoro derivated KΜgH$\text{}_{2}$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.
- Źródło:
-
Acta Physica Polonica A; 1995, 88, 6; 1133-1141
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł