Browsing by Author "Amrani, B."

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    Study of the elastic, opto-electronic and thermoelectric properties of ternary chalcogenides X2Sb2Se5 (X=Ge, Sn)
    (Oum-El-Bouaghi University, 2021) Bennouar, K.; Mebarkia, S.Hadjri; Amrani, B.
    There search on phase change materials in the last decades has extensively been outlined. Fascinating and promising as these materials and their applications are a profound understanding of the material physics is desire. The chalcogenide material Ge2Sb2Te5 is the prototype phase-change material. The effect of replacing Ge by Sn et Te by Se was studied for a systematic understanding and prediction of new potential candidates for PCRAM applications. The structural, elastic,opto-electronic and thermoelectric properties of Ge2Sb2Se5 and Sn2Sb2Se5 ternary alloys have been investigated using the full-potential (linearized) augmented plane wave method. To make the results comparably the opto-electronic calculations, were performed using two methods, namely generalized gradient approximation developed by Perdew-Burke-Emzerhof (PBE-GGA), and recently developed modified Becke–Johnson (mBJ) potential. This is found to be a semiconductor with energy band gap equal to 0.64 eV and 0.57 eV for Ge2Sb2Se5 and Sn2Sb2Se5 respectively . All the elastic constants obey the Born−Huang criteria, suggesting that they are mechanically stable This material is being reported as thermoelectric material. The Seebeck coefficient increases with temperature and attains the maximum value 650 V/K and 580 μV/K at T=300 K for Ge2Sb2Se5 and Sn2Sb2Se5 respectively. The material has achieved the maximum value of ZT is 0.92 for Ge2Sb2Se5 and 0.97 for Sn2Sb2Se5 at 300 K.