Electronic structure and optical properties of Mg and Al doped ZnO using (TB-mBJ) modified Becke Johnson potential study

P. Sai Charan; N. Saketh; R. Mahesh; M. Anand Pandarinath

doi:10.1117/12.2525204

6 September 2019 Electronic structure and optical properties of Mg and Al doped ZnO using (TB-mBJ) modified Becke Johnson potential study

P. Sai Charan, N. Saketh, R. Mahesh, M. Anand Pandarinath

Author Affiliations +

Proceedings Volume 11126, Wide Bandgap Materials, Devices, and Applications IV; 111260F (2019) https://doi.org/10.1117/12.2525204
Event: SPIE Optical Engineering + Applications, 2019, San Diego, California, United States

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.

Citation Download Citation

P. Sai Charan, N. Saketh, R. Mahesh, and M. Anand Pandarinath "Electronic structure and optical properties of Mg and Al doped ZnO using (TB-mBJ) modified Becke Johnson potential study", Proc. SPIE 11126, Wide Bandgap Materials, Devices, and Applications IV, 111260F (6 September 2019); https://doi.org/10.1117/12.2525204

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