Thickness effect on the properties of Mn-doped ZnO thin films synthesis by sol-gel and comparison to first-principles calculations
Source abstract
Abstract
Abstract The current study investigates the effect of thickness on the structural, morphological, electronic, and optical properties of pure zinc oxide (ZnO) and 7% Mn-doped ZnO thin films, deposited by sol–gel spin coating method. All films exhibited a hexagonal wurtzite structure with a high preferential c-axis orientation. The surface morphology showed a good uniformity with cracks and wrinkles. The transmittance decreased with thickness. The bandgap energy was inversely varying with coating number. Photoluminescence spectra showed ultraviolet with strong and weak blue and weak green emission peaks. Density functional theory and Hubbard (DFT + U) method was then applied to study the structural, electronic, and optical properties of pure and 6.25% Mn-doped ZnO materials. A decrease in bandgap energy from pure to 6.25% Mn-doped ZnO material was shown using the DFT + U method. It also found that the Mn3d states were distributed far from Fermi level with a coexistence of both ionic and covalent nature bonds. A slight shift toward the lower energy was noticed for optical properties by Mn doping. The theoretical findings showed a similar behavior to those obtained by experiment.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: ZnO doping and properties · Copper-based nanomaterials and applications · Ga2O3 and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (59)
Show source-provided references
1. Controlling the properties of ZnO thin films by varying precursor concentration10.1016/j.jallcom.2018.01.079 ↗
2. Effect of substrates and thickness on optical properties in atomic layer deposition grown ZnO thin films10.1016/j.apsusc.2016.10.130 ↗
3. Thickness, annealing and substrate effects on structural, morphological, optical and waveguiding properties of RF sputtered ZnO thin films10.1007/s10854-017-7036-x ↗
4. Synthesis, structural, morphological, electronic, optical and luminescence properties of pure and manganese-doped zinc oxide nanostructured thin films: effect of doping10.1166/jno.2018.2271 ↗
5. Doped ZnO nanostructures with selected elements - structural, morphology and optical properties: a review10.1016/j.ceramint.2019.11.051 ↗
6. Structural, optical and magnetic properties of Mn-doped ZnO thin films prepared by sol–gel method10.1016/j.jmmm.2013.01.026 ↗
7. Study on structural and optical properties of Mn-doped ZnO thin films by sol-gel method10.1016/j.optmat.2020.109657 ↗
8. Synthesis of Mn doped ZnO nanopowders by MW-HTS and its structural, morphological and optical characteristics10.1016/j.jallcom.2018.12.101 ↗
9. Influence of Mn doping on the magnetic and optical properties of ZnO nanocrystalline particles10.1016/j.rinp.2016.11.041 ↗
10. Investigation of structural and optical properties of ZnO thin films of different thickness grown by pulsed laser deposition method10.1016/j.physb.2018.10.004 ↗
11. Thickness-dependent optical properties of ZnO thin films10.1007/s10854-007-9243-3 ↗
12. Effect of thickness on structural, optical and electrical properties of nanostructured ZnO thin films by spray pyrolysis10.1016/j.apsusc.2008.11.079 ↗
13. Thickness effect of nanostructured ZnO thin films prepared by spray method on structural, morphological and optical properties10.1016/j.mee.2015.11.016 ↗
14. Effect of thickness on the properties of ZnO thin films prepared by reactive RF sputtering10.1007/s10854-018-9584-0 ↗
15. Thickness dependency of sol-gel derived ZnO thin films on gas sensing behaviors10.1016/j.tsf.2010.08.005 ↗
16. Structural and optical properties of ZnO thin films prepared by sol–gel method with different thickness10.1016/j.apsusc.2010.11.170 ↗
17. Effect of thickness on the structural, electrical and optical properties of ZnO films10.1016/j.materresbull.2006.08.019 ↗
18. Effect of film thickness and annealing temperature on the structural and optical properties of ZnO thin films deposited on sapphire (0001) substrates by sol–gel10.1016/j.ceramint.2012.10.014 ↗
19. Thickness dependence of structural, electrical and optical behaviour of undoped ZnO thin films10.1016/j.physb.2008.04.045 ↗
20. Structural, optical and magnetic properties of manganese zinc oxide thin films prepared by sol–gel dip coating method10.1016/j.spmi.2015.02.039 ↗
21. Effect of thickness on the structural and optical properties of sputtered ZnO and ZnO:Mn thin films10.1016/j.jallcom.2014.06.166 ↗
22. Effect of thickness on structural, optical and mechanical properties of Mn doped ZnO nanocrystalline thin films RF sputtered in nitrogen gas environment10.1016/j.spmi.2014.04.001 ↗
23. Thickness-controlled synthesis of vertically aligned c-axis oriented ZnO nanorod arrays: effect of growth time via novel dual sonication sol–gel process
24. Effect of Mn in ZnO using DFT calculations: magnetic and electronic changes10.1016/j.jallcom.2019.05.044 ↗
25. Experimental and first-principles DFT studies on the band gap behaviours of microsized and nanosized Zn(1−x)MnxO materials10.1039/C9CP01664C ↗
26. First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped10.1016/j.jallcom.2012.06.091 ↗
27. Band theory and Mott insulators: Hubbard U instead of Stoner I10.1103/PhysRevB.44.943 ↗
28. First principles LDA+ U calculations for ZnO materials10.1080/10584587.2014.905086 ↗
29. The electronic and magnetic properties of (Mn, C)-codoped ZnO diluted magnetic semiconductor
30. Effects of Mn doping on the structural, morphological, electronic and optical properties of ZnO thin films by sol-gel spin coating method: an experimental and DFT+U study10.1016/j.physb.2019.411766 ↗
31. First principles methods using CASTEP10.1524/zkri.220.5.567.65075 ↗
32. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
33. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism10.1103/PhysRevB.41.7892 ↗
34. DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: a review10.1016/j.rinp.2019.102829 ↗
35. Effect of Mn doping on the optical, structural and photoluminescence properties of nanostructured ZnO thin film synthesized by sol–gel technique10.1016/j.spmi.2014.06.009 ↗
36. Effect of Mn doping on the optical and structural properties of ZnO nano/micro-fibrous thin film synthesized by sol–gel technique10.1016/j.physb.2006.03.090 ↗
37. Structural, morphological and optical properties of undoped and Co-doped ZnO thin films prepared by sol–gel process10.1007/s10854-014-2259-6 ↗
38. Effect of zinc acetate concentration on the structural and optical properties of ZnO thin films deposited by Sol-Gel method10.5897/IJPS12.219 ↗
39. Structural, optical and luminescence properties of ZnO thin films prepared by sol-gel spin-coating method: effect of precursor concentration10.1088/0256-307X/35/1/016801 ↗
40. The effect of heat treatment on the physical properties of sol–gel derived ZnO thin films10.1016/j.apsusc.2009.01.010 ↗
41. Dependence of film thickness on the structural and optical properties of ZnO thin films10.1016/j.apsusc.2009.01.078 ↗
42. Role of film thickness on the properties of ZnO thin films grown by sol-gel method10.1016/j.tsf.2013.05.088 ↗
43. WSXM: a software for scanning probe microscopy and a tool for nanotechnology10.1063/1.2432410 ↗
44. Effect of thickness on the photocatalytic properties of ZnO thin films
45. Preparation and characterization of ZnO transparent semiconductor thin films by sol–gel method10.1016/j.jallcom.2010.01.100 ↗
46. Preparation of nanocrystalline thin films of ZnO by sol-gel dip coating
47. Thickness dependent study of RF sputtered ZnO thin films for optoelectronic device applications10.1007/s13391-015-4445-y ↗
48. A study on optical, photoluminescence and thermoluminescence properties of ZnO and Mn doped-ZnO nanocrystalline particles10.1016/j.ijleo.2012.12.068 ↗
49. Sol–gel derived nanostructure undoped and cobalt doped ZnO: structural, optical and electrical studies10.1016/j.jallcom.2013.01.080 ↗
50. Effect of stress on optical band gap of ZnO thin films with substrate temperature by spray pyrolysis10.1016/j.jallcom.2009.05.116 ↗
51. ZnO films prepared by modified sol-gel technique
52. Ferromagnetic properties of the Mn-doped nanograined ZnO films10.1063/1.3486044 ↗
53. Dependence of structural and optical properties of sol–gel derived ZnO thin films on sol concentration10.1016/j.apsusc.2012.04.137 ↗
54. Effect of precursor concentration on structural, morphological and opto-electric properties of ZnO thin films prepared by spray pyrolysis10.1016/j.ceramint.2014.01.048 ↗
55. Structural; morphological; optical and magnetic properties of Mn doped ferromagnetic ZnO thin film10.1016/j.apsusc.2012.09.133 ↗
56. A simple approach to the fabrication of fluorine-doped zinc oxide thin films by atomic layer deposition at low temperatures and an investigation into the growth mode10.1039/C3TC31478B ↗
57. Blue and ultraviolet cathodoluminescence from Mn-doped epitaxial ZnO thin films10.1063/1.1590430 ↗
58. First-principles study of structural, mechanical, electronic and optical properties of 3R- and 2H-CuGaO210.1016/j.physb.2011.06.002 ↗
59. On the verification of sol–gel-derived ZnO nanoparticle properties using first-principles calculation10.1007/s10971-016-4086-0 ↗