- Tytuł:
- Density functional simulation of metal oxides: $Al_2O_3$ and $Fe_3O_4$
- Autorzy:
- Łodziana, Z.
- Powiązania:
- https://bibliotekanauki.pl/articles/2028983.pdf
- Data publikacji:
- 2004
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
density functional theory
metal oxides
alumina
magnetite - Opis:
- The study of the metal oxides is a rapidly developing area of research. Below a theoretical method based on the density functional theory, common in studying ceramics, is briefly presented. Application of the theory to the surface and the bulk properties of alumina and magnetite are presented. Relaxation mechanism of two different surfaces of alumina and the (100) surface of Fe3O4 are shown. The mutual stability of the ? and ? phases of Al2O3 is calculated.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2004, 8, 4; 561-572
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł