Abstract
In order to analyze both the electronic and optical properties of the (AlN)1/(ZnO)1 superlattice under biaxial strains, we report here, first-principles calculations within the density functional theory framework. As a result, lattice parameters, as well as band gap values, are found in overall good agreement with available experimental data. Additionally, calculation coming from the prediction of elastic calculation and phonon spectra shows that the title material is thermodynamically stable in the wurtzite structure. Due to the mixing character of (AlN)1/(ZnO)1 in its bonding pattern, the tensile regime shows a weak influence on the electronic properties. However, the compression regime affects strongly the band gap and its nature. Overall, the absorption coefficient shows a serious change under bi-axial strains, making the (AlN)1/(ZnO)1 material promising for ultraviolet–visible sensor applications.
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