Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study
Structural and physical properties of Mg doped zinc oxide (MZO) thin films have been investigated. The samples have been synthesized using a simple spray pyrolysis technique. The hexagonal Wurtzite structured ZnO thin films were confirmed by X-ray diffraction (XRD). The morphology of the thin films...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2017-01-01
|
Series: | Results in Physics |
Online Access: | http://www.sciencedirect.com/science/article/pii/S221137971630465X |
id |
doaj-6b7d6e354b304e4a8543648abb377d7b |
---|---|
record_format |
Article |
spelling |
doaj-6b7d6e354b304e4a8543648abb377d7b2020-11-25T02:06:25ZengElsevierResults in Physics2211-37972017-01-017620627Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio studyM. Rouchdi0E. Salmani1B. Fares2N. Hassanain3A. Mzerd4Materials Physics Laboratory, Mohammed V University, Faculty of Sciences, B.P. 1014 Rabat, Morocco; Corresponding author.LMPHE, Mohammed V University, Faculty of Sciences, B.P. 1014 Rabat, MoroccoMaterials Physics Laboratory, Mohammed V University, Faculty of Sciences, B.P. 1014 Rabat, MoroccoMaterials Physics Laboratory, Mohammed V University, Faculty of Sciences, B.P. 1014 Rabat, MoroccoMaterials Physics Laboratory, Mohammed V University, Faculty of Sciences, B.P. 1014 Rabat, MoroccoStructural and physical properties of Mg doped zinc oxide (MZO) thin films have been investigated. The samples have been synthesized using a simple spray pyrolysis technique. The hexagonal Wurtzite structured ZnO thin films were confirmed by X-ray diffraction (XRD). The morphology of the thin films was characterized by atomic force microscopy (AFM). The optical properties were studied in details by using ultraviolet–visible (UV–Vis) spectrophotometry and Hall Effect measurements for electrical characteristic. The results detected by AFM indicate in a qualitative and quantitative manner how the surface properties (topography, roughness) vary with Mg concentration. The optical characterization showed that the transmittance of MZO thin films increased from 75 to about 90% and optical band gap energy from 3.20 to 3.43 (eV). The electrical properties study showed the lowest resistivity value was 3.45 × 10−2 (Ω·cm), which was obtained for the film doped with ZnO:Mg (2 at.%). In order to confirm our results on optical properties, the band structure of Wurtzite Zn1−xMgxO was calculated by ab initio calculations using the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA). Keywords: ZnO, Thin films, Spray pyrolysis, Optical properties, Ab-initio calculationshttp://www.sciencedirect.com/science/article/pii/S221137971630465X |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
M. Rouchdi E. Salmani B. Fares N. Hassanain A. Mzerd |
spellingShingle |
M. Rouchdi E. Salmani B. Fares N. Hassanain A. Mzerd Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study Results in Physics |
author_facet |
M. Rouchdi E. Salmani B. Fares N. Hassanain A. Mzerd |
author_sort |
M. Rouchdi |
title |
Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study |
title_short |
Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study |
title_full |
Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study |
title_fullStr |
Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study |
title_full_unstemmed |
Synthesis and characteristics of Mg doped ZnO thin films: Experimental and ab-initio study |
title_sort |
synthesis and characteristics of mg doped zno thin films: experimental and ab-initio study |
publisher |
Elsevier |
series |
Results in Physics |
issn |
2211-3797 |
publishDate |
2017-01-01 |
description |
Structural and physical properties of Mg doped zinc oxide (MZO) thin films have been investigated. The samples have been synthesized using a simple spray pyrolysis technique. The hexagonal Wurtzite structured ZnO thin films were confirmed by X-ray diffraction (XRD). The morphology of the thin films was characterized by atomic force microscopy (AFM). The optical properties were studied in details by using ultraviolet–visible (UV–Vis) spectrophotometry and Hall Effect measurements for electrical characteristic. The results detected by AFM indicate in a qualitative and quantitative manner how the surface properties (topography, roughness) vary with Mg concentration. The optical characterization showed that the transmittance of MZO thin films increased from 75 to about 90% and optical band gap energy from 3.20 to 3.43 (eV). The electrical properties study showed the lowest resistivity value was 3.45 × 10−2 (Ω·cm), which was obtained for the film doped with ZnO:Mg (2 at.%). In order to confirm our results on optical properties, the band structure of Wurtzite Zn1−xMgxO was calculated by ab initio calculations using the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA). Keywords: ZnO, Thin films, Spray pyrolysis, Optical properties, Ab-initio calculations |
url |
http://www.sciencedirect.com/science/article/pii/S221137971630465X |
work_keys_str_mv |
AT mrouchdi synthesisandcharacteristicsofmgdopedznothinfilmsexperimentalandabinitiostudy AT esalmani synthesisandcharacteristicsofmgdopedznothinfilmsexperimentalandabinitiostudy AT bfares synthesisandcharacteristicsofmgdopedznothinfilmsexperimentalandabinitiostudy AT nhassanain synthesisandcharacteristicsofmgdopedznothinfilmsexperimentalandabinitiostudy AT amzerd synthesisandcharacteristicsofmgdopedznothinfilmsexperimentalandabinitiostudy |
_version_ |
1724934034583191552 |