- Tytuł:
- Realization of p-Type Conductivity in ZnO via Potassium Doping
- Autorzy:
-
Bousmaha, M.
Bezzerrouk, M.
Baghdad, R.
Chebbah, K.
Kharroubi, B.
Bouhafs, B. - Powiązania:
- https://bibliotekanauki.pl/articles/1398925.pdf
- Data publikacji:
- 2016-06
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
63.20.dk
81.05.Dz
73.20.At - Opis:
- Our work focuses on the study of the electronic structure of undoped and K-doped ZnO using density functional theory as implemented in the Wien2k package. Generalized gradient approximation and GGA plus Tran-Blaha-modified Becke-Johnson (TB-mBJ) were used to calculate the exchange-correlation energy. From the electronic properties, ZnO has a direct band gap in (Γ-Γ) direction with a value of 0.76 eV within GGA and 2.63 eV within GGA + TB-mBJ. For the K-doped ZnO (12.5%) the gap was found to be 1.15 eV within GGA and 3.28 eV within GGA + TB-mBJ, we have observed that an emersion of a new narrow band exists in the valence band which is mainly caused by K 3p states with a little Zn 4s and Zn 3d effect.
- Źródło:
-
Acta Physica Polonica A; 2016, 129, 6; 1155-1158
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł