English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce)have been investigated using density functional theory (DFT) based on thefull-potential linearized augmented plane wave orbital (FP-LAPW) method, asimplemented in Wien2K code. The structural parameters were calculated by PBEsolfunctional and in good agreement with the experimental data. The electronic(density of states, band structure) and optical (absorption coefficient,reflectivity, refraction index) properties were determined by TB-mBJ potential.The rare earth element doped ZnO have a significant impact on theoptoelectronic properties which are mainly arise due to the presence of 4felectrons. The results of electronic structure shows that the doping of Tm, Yb,Ce on pristine ZnO has increases the band gap and in qualitative agreement withthe experimental results. In many cases the Fermi level has been shifted to theconduction band, revealing n-type characters. Electrical conductivity has beencalculated using BoltzTrap code based on the semiclassical equation ofBoltzmann. It has been observed that the conductivity has a direct relationwith the temperature and carriers concentration. Our results provide the basisfor future research in Tm, Yb, Ce doped ZnO compounds used as integratedoptoelectronic devices and solar cells.

DFT study of rare earth (Tm, Yb, Ce) doped ZnO: structural, optoelectronic and electrical properties