Abstract
The electronic structure and ground state properties of SC16-ZnO, Zn7Mg1O8 and Zn7Al1O8 were studied using Wien2k code. The doping effect of magnesium and aluminium on band structure of Zinc Oxide reveals that the profiles are identical, however slightly shifted due to band broadening. Using super cell approach the electronic and optical properties are also studied for Zn7Al1O8 and Zn7Mg1O8. The calculated parameters like onset of critical point or threshold value, fundamental band gap and dielectric functions are reported for SC16-ZnO, Zn7Mg1O8 and Zn7Al1O8.
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