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Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba2InTaO6

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In the present paper, double perovskite Ba2InTaO6 was investigated in terms of its structural, electronic, optical, elastic, mechanical, thermodynamic and thermoelectric properties using density-functional theory (DFT). Click to show full abstract

In the present paper, double perovskite Ba2InTaO6 was investigated in terms of its structural, electronic, optical, elastic, mechanical, thermodynamic and thermoelectric properties using density-functional theory (DFT).

Keywords: perovskite ba2intao6; thermodynamic thermoelectric; double perovskite; optical elastic; mechanical thermodynamic; elastic mechanical

Journal Title: RSC Advances
Year Published: 2019

Link to full text (if available)


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