Structural, electronic and optical properties of oxygen and Mn substituted ZnIn2Te4 chalcopyrite semiconductors

Surabala Mishra; Biplab Ganguli

doi:10.1117/12.927437

15 October 2012 Structural, electronic and optical properties of oxygen and Mn substituted ZnIn₂Te₄ chalcopyrite semiconductors

Surabala Mishra, Biplab Ganguli

Author Affiliations +

Proceedings Volume 8549, 16th International Workshop on Physics of Semiconductor Devices; 85493G (2012) https://doi.org/10.1117/12.927437
Event: 16th International Workshop on Physics of Semiconductor Devices, 2011, Kanpur, India

Abstract

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.

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Surabala Mishra and Biplab Ganguli "Structural, electronic and optical properties of oxygen and Mn substituted ZnIn₂Te₄ chalcopyrite semiconductors", Proc. SPIE 8549, 16th International Workshop on Physics of Semiconductor Devices, 85493G (15 October 2012); https://doi.org/10.1117/12.927437

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