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  1. No Access

    Article

    Exploring structural phase transition, electronic and optical characteristics of optoelectronic phosphides XSiP2 (X = Mg, Cd, and Zn) through First principle computation

    The present study reports the properties of pressure-induced phase transition, electronic and optical of phosphides XSiP2 under pressure in chalcopyrite, sodium chloride (rock salt), and Wurtzite phases. The stud...

    O. Drici, F. Semari, H. Meradji, S. Ghemid, R. Khenata… in Journal of Molecular Modeling (2024)

  2. No Access

    Article

    Structural, Electronic, and Magnetic Characteristics of Co1-xFexMnSb: Insight from DFT Computation

    Both electronic as well as magnetic characteristics of Co1-xFexMnSb (x = 0, 0.25, 0.50, 0.75, 1) composite have been studied by employing the first principle (FP) study. The FP calculation was attained using the ...

    L. Boumia, F. Semari, M. Mokhtari… in Journal of Superconductivity and Novel Mag… (2024)