Study of the elastic, opto-electronic and thermoelectric properties of ternary chalcogenides X2Sb2Se5 (X=Ge, Sn)
| dc.contributor.author | Bennouar, K. | |
| dc.contributor.author | Mebarkia, S.Hadjri | |
| dc.contributor.author | Amrani, B. | |
| dc.date.accessioned | 2023-09-06T08:12:56Z | |
| dc.date.available | 2023-09-06T08:12:56Z | |
| dc.date.issued | 2021 | |
| dc.description.abstract | 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. | ar |
| dc.identifier.issn | 2170-161X | |
| dc.identifier.issn | 2588-2082 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/15099 | |
| dc.language.iso | en | ar |
| dc.publisher | Oum-El-Bouaghi University | ar |
| dc.subject | Phase change memory | ar |
| dc.subject | FP-LAPW | ar |
| dc.subject | DFT | ar |
| dc.subject | GGA | ar |
| dc.subject | mBJ | ar |
| dc.subject | band gap | ar |
| dc.subject | optical properties | ar |
| dc.subject | thermoelectric properties | ar |
| dc.title | Study of the elastic, opto-electronic and thermoelectric properties of ternary chalcogenides X2Sb2Se5 (X=Ge, Sn) | ar |
| dc.type | Article | ar |