Structural and optical properties of Mg modified ZnO nanoparticles: An x-ray peak broadening analysis

Abstract

The structural, microstructural, and optical properties of Mg-doped ZnO nanoparticles prepared via. thermal decomposition route. The Rietveld analysis was executed for prepared sample, which revealed that the hexagonal wurtzite structure for all samples along with changes in lattice parameters and bond length. The various relevant parameters, such as strain, stress, and energy density, are analyzed using different improved forms of W-H equations via. a complete Willamson-Hall (W-H) method. Scanning electron microscopy (SEM) analysis resultant that the synthesized nanoparticles (NP's) are nearly spherical for Zn 1-x Mg x O, up to x = 0.04, and transform into a rectangular shape for x = 0.10. UV–Visible spectroscopy revealed an observation of fundamental absorption peak around 375 nm, which further shifted towards the higher wavelength, recommended the blue shift in the bandgap energy. The photoluminescence (PL) studies show a green emission band at 550 nm, demonstrating the occurrence of oxygen vacancy defects in the lattice of ZnO. Zn 1-x Mg x O (0≤ × ≤0.10) nanoparticles have been prepared by the thermal decomposition method. Structural, microstructural, and optical properties of ZnO nanoparticles were examined under the ‘Mg’ doping. X-ray diffraction pattern obtained for Zn 1-x Mg x O (0≤ × ≤0.10) confirms its hexagonal wurtzite structure. The Rietveld analysis performed for a prepared sample revealed that the lattice parameters and bond length are enhanced by increasing Mg%. The various relevant parameters, such as strain, stress, and energy density, are analyzed using different improved forms of W-H equations by a complete Willamson-Hall (W-H) method. Scanning electron microscopy (SEM) analysis derived that the synthesized nanoparticles(NP's) are nearly spherical for Zn 1-x Mg x O, up to x = 0.04, and transform into a rectangular shape for x = 0.10. UV–Visible spectroscopy revealed an observation of fundamental absorption peak around 375 nm, which further shifted towards the higher wavelength, recommended the blue shift in the bandgap energy. FTIR analysis Validate the existence of Zn-O stretching mode due to the presence of absorption modes in 400–600 cm −1 for all the samples. The photoluminescence (PL) studies show a green emission band at 550 nm, demonstrating the occurrence of oxygen vacancy defects in the lattice of ZnO. • XRD and Rietveld refinement confirms the hexagonal wurtzite structure for all samples. • A small variations in lattice parameters provoked by Mg doping. • Through Willamson-Hall approach strain, stress and energy density were calculated. • Tailoring in bandgap energy has been found with Mg doping which is useful for optical devices. • Evidence of oxygen vacancy defects observed through PL studies.