Study of structural, electronic and optical properties of oxygen and Mn substituted ZnIn₂Te₄ are carried out by DFT based first principle calculation using TB-LMTO method. They are found to be direct band gap semiconductors with band gaps 0.68 eV and 1.3 eV respectively. We have made a comparative calculation of real and imaginary part of the dielectric functions of both ZnOIn₂Te₄ and ZnMnIn₂Te₄. We have also calculated the static refractive index for both the compounds. Refractive index and absorption co-efficients are plotted for both the systems for better understanding. We have found that the substitution of oxygen and Mn in ZnIn₂Te₄shift the major absorption peaks towards lower energy. Absorption peaks are maximum at energy 1.2 eV and 2.80 eV for ZnOIn₂Te₄ and ZnMnIn₂Te₄ respectively.

Date Published: 15 October 2012
PDF: 6 pages
Proc. SPIE 8549, 16th International Workshop on Physics of Semiconductor Devices, 85493G (15 October 2012); doi: 10.1117/12.927437

Published in SPIE Proceedings Vol. 8549:
16th International Workshop on Physics of Semiconductor Devices
Monica Katiyar; B. Mazhari; Y N Mohapatra, Editor(s)