𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electronic structures of silicon doped ZnO

✍ Scribed by R. Chowdhury; P. Rees; S. Adhikari; F. Scarpa; S.P. Wilks


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
385 KB
Volume
405
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.

✦ Synopsis


We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn 1 À x Si x O ð0 r xr 12:5Þ system and comparisons are made with recently published experimental results. Further, we observed that, substitution of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.


📜 SIMILAR VOLUMES


Magnetic ordering and electronic propert
✍ Rafael González-Hernández; William López-Pérez; M. Jairo Arbey Rodríguez 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 269 KB

## Abstract We carried out first‐principles spin‐polarized calculations in order to provide comprehensive information regarding the structural, electronic and magnetic properties of the Pd~__x__~Zn~1–__x__~O (with __x__ = 0.0625) semiconductor. The highly accurate all‐electron full‐potential linear

Effect of La doping on the electronic st
✍ S.H. Deng; M.Y. Duan; M. Xu; L. He 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 446 KB

The electronic structure and optical properties of ZnO doped with La have been investigated using density functional theory based on first-principles ultrasoft pseudopotential method. The calculated results show that the La doping increases the bandgap of ZnO, in agreement with the experimental resu

Density functional investigation of stru
✍ Ying-bo Lv; Ying Dai; Kesong Yang; Zhenkui Zhang; Wei Wei; Meng Guo; Baibiao Hua 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 642 KB

Recent experiments reported fascinating phenomenon of photoluminescence (PL) blueshift in Ge-doped ZnO. To understand it, we examined the structural, electronic and optical properties of Gedoped ZnO (ZnO:Ge) systematically by means of density functional theory calculations. Our results show that Ge