- Tytuł:
- Study of the clusterization of CdO phase in ZnCdO alloys by modeling fullerene-like Zn₄₄Cd₄O₄₈ cluster
- Autorzy:
-
Ovsiannikova, L.
Kartuzov, V.
Shtepliuk, I.
Lashkarev, G. - Powiązania:
- https://bibliotekanauki.pl/articles/1159858.pdf
- Data publikacji:
- 2016-01
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
73.22.-f
78.55.Et
81.05.Dz
81.07.Bc - Opis:
- The structural, cohesive and electronic properties of fullerene-like isolated Zn₄₄Cd₄O₄₈ cluster with consideration of CdO phase clusterization are studied in the frames of density functional theory B3LYP/3-21G(d). It is revealed that an enlargement of CdO phase content in Zn₄₄Cd₄O₄₈ cluster leads to nonlinear rapid increase in cohesive energy and cluster stability, as well as band-gap energy shrinkage.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 1a; A-41-A-43
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł