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    Phase stability and optoelectronic characteristics of Ba1−xBexS: a DFT-based simulation

    The structural stability and optoelectronic properties of the ternary Ba1−xBexS alloys along with the pure binary compounds BaS and BeS in the rock-salt (B1) and zinc-blende (B3) phases were investigated by the d...

    S. Gagui, H. Bendjeddou, H. Meradji, B. Chouial… in Journal of Molecular Modeling (2020)