Zinc oxide (ZnO) exhibits bulk-like behavior and is modified by radium doping to attain favorableelectronic properties. The elastic and mechanical response of ZnO2 is much more favorable than ZnOmaterial.The change in thermal expansion, Debye temperature, free energy, entropy, and specific heatleads it to be a good candidate for thermodynamic applications at low and high temperatures. Opticalproperties like dielectric function, absorption, refraction, reflection, and refractive index obtained aftersuitable doping transform the material as optically active. ZnO2 has low reflectivity and zero absorptionbelow the electronic band gap as compared to ZnO in a wider spectral range. Our analyses on doped ZnO2 and ZnO make us confident for a wide range of applications in optoelectronic and anti-bacterial treatmentin biomedical devices.Especially due to high flexibility and high light transmission, ZnO2 is an excellent applicant for transparent electrodes. Density functional theory has been employed in consistency with generalized gradient approximation (GGA) with PBEsol to analyze the structural, electronic, elastic, mechanical, thermodynamic, and optical response of pure and Ra-doped (ZnO2 and ZnO) materials.
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