Abstract
The vacancy ordered double perovskites are become the potential materials for renewable and clean energy. Therefore, in present article, the In2TiBr6 and In2TiI6 are studied for electronic, optoelectronic, and thermoelectric properties. The existence of structures, and thermodynamic stability are explained by tolerance factor, and formation energy. The band structures and density of states analysis indicates the band gaps (2.2 eV, 1.4 eV) for In2Ti(Br/I)6, and recombination of carriers under ambient conditions. The absorption bands in visible regions 335 to 539 nm and 413 to 729 nm for In2TiBr6 and In2TiI6 are excellent for solar cells. The thermoelectric analysis describes high Seebeck coefficient, power factor and figure of merit values of the studied compounds which indicate potential thermoelectric applications especially in generators and thermally active optical sensors.
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