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Optoelectronic Structure and Related Transport Properties of Ag2Sb2O6 and Cd2Sb2O7

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Abstract

Using the full-potential linearized augmented-plane wave method, the electronic structure and thermoelectric properties of Ag2Sb2O6 and Cd2Sb2O7 compounds have been explored. The modified Becke–Johnson potential was applied to treat the exchange–correlation energy term. The electronic band structures reveal that the valence-band maximum and conduction-band minimum occur at Γ point, indicating that Ag2Sb2O6 and Cd2Sb2O7 are direct energy bandgap semiconductors. Strong hybridization appeared between Ag (Cd)-s/p and O-s/p states. The optical properties, i.e., complex dielectric function, reflectivity, refractive index, and energy loss function, reveal high reflectivity in the ultraviolet energy range, indicating usefulness of these materials in shields from high-energy radiation. Combining transport theory and the outputs from the full-potential linearized augmented-plane wave calculations, the thermoelectric properties were analyzed as functions of temperature. Due to their high thermopower and narrow bandgap, Ag2Sb2O6 and Cd2Sb2O7 are suitable materials for application in optoelectronic and thermoelectric devices.

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Authors and Affiliations

  1. Department of Physics, University of Sargodha, Sargodha, 40100, Pakistan

    Muhammad Irfan & Safdar Hussain

  2. New Technologies Research Center, University of West Bohemia, Univerzitni 8, 306 14, Pilsen, Czech Republic

    Saleem Ayaz Khan

  3. Department of Physics, College of Science, Alfaisal University, P.O. Box 50927, Riyadh, 11533, Saudi Arabia

    Souraya Goumri-Said

  4. Department of Physics, The University of Lahore, Sargodha Campus, Sargodha, Pakistan

    Sikander Azam

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  1. Muhammad Irfan
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  2. Safdar Hussain
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  3. Saleem Ayaz Khan
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  4. Souraya Goumri-Said
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  5. Sikander Azam
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Correspondence to Sikander Azam.

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Irfan, M., Hussain, S., Khan, S.A. et al. Optoelectronic Structure and Related Transport Properties of Ag2Sb2O6 and Cd2Sb2O7 . J. Electron. Mater. 47, 1481–1489 (2018). https://doi.org/10.1007/s11664-017-5939-1

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  • DOI: https://doi.org/10.1007/s11664-017-5939-1

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