Articles with "dft computed" as a keyword



Insights into the DFT‐computed electronic and optical properties of binary and doped: Selenide for optoelectronic applications

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Published in 2024 at "International Journal of Quantum Chemistry"

DOI: 10.1002/qua.27386

Abstract: This study investigates the alterations in structural, electronic, and optical characteristics of ZnSe1−x Inx (x = 0%, 12.5%, 25%) employing the framework of density functional theory (DFT), utilizing generalized gradient approximation (GGA) in conjunction with the full‐potential… read more here.

Keywords: electronic optical; znse1 inx; indium; dft computed ... See more keywords