conference paper
In the present study, we examine the effects of B-site cation substitution on the optoelectronic characteristics of$\text{Ba}_{2}\text{XSbO}_6$(X = In, Sc) using the WIEN2k code. The results verified the cubic structure of both materials with a space group of Fm-3m and lattice constants of 8.2787 Å and 8.1904 Å for$\text{Ba}_{2}\text{InSbO}_{6}$and$\text{Ba}_{2}\text{ScSbO}_{6}$respectively. Moreover, the present work emphasizes the possibility of B-site cation substitution to improve the electrical and optical behavior of the studied materials, so lowering the band gap from 4.023 eV for$\text{Ba}_{2}\text{ScSbO}_{8}$to 1.419 eV for$\text{Ba}_{2}\text{InSbO}_{6}$. Such changes show the great influence of B-site engineering on the electronic characteristics of a material since they increase light absorption, optimize electronic transport, and strengthen material stability.
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DOI: 10.1109/iccsc66714.2025.11135430
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