| Autor: |
Aouacheria, F.Z., Telia, A., Soudous, R., Meziani, A., Semra, L. |
| Zdroj: |
Superlattices and Microstructures; 20240101, Issue: Preprints |
| Abstrakt: |
The structural and electronic properties of ternary Zn1-xMgxO alloys were investigated at the Mg compositions from x = 0 to 0.375 in the wurtzite phase. The latter were carried out through an experimental method and first principle calculations based on density functional theory (DFT). ZnO and ZnMgO thin films were synthesized by a sol-gel process using dip coating technique. The XRD analysis has confirmed that Zn1-xMgxO thin films conserve the hexagonal wurtzite structure throughout the whole studied concentrations. The lattice parameter “a" increases and “c" decreases with Mg content, which are in agreement with the theoretical results. The optical properties studied by a dual-beam UV–vis spectrophotometer revealed a band gap ranging from 3.30 eV for x = 0–3.29eV for x = 0.375. The surface characteristics of the ZnO and Zn1-xMgxO thin films were then evaluated with Atomic Force Microscopy (AFM). The results revealed that the Zn1-xMgxO film with higher contents of Mg has higher surface roughness. In addition to the experimental work, DFT calculations were performed. The structural properties were computed by LDA and PBEsol, while the electronic properties were calculated with the modified Becke-Johnson (mBJLDA) potential for a better band gap accuracy with the results compared to our experimental data. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
|
Full Text from ScienceDirect