Double half-Heusler Compounds: Novel High Efficiency Thermoelectric Materials for Energy Applications
| dc.contributor.author | Dergal, Assil | |
| dc.contributor.author | Slougui, Nour Djihane | |
| dc.contributor.author | Diaf, Mohamed | |
| dc.date.accessioned | 2025-10-20T13:04:34Z | |
| dc.date.available | 2025-10-20T13:04:34Z | |
| dc.date.issued | 2025 | |
| dc.description.abstract | This dissertation presents a theoretical investigation of three titanium-based double half-Heusler compounds: Ti2OsNiSb2, Ti2OsPtSb2, and Ti2OsPdSb2, using first-principles DFT calculations via Quantum ESPRESSO packadge. The optimized lattice parameters confirm a stable tetragonal structure with c/a ratio ≈ 2.00, indicating minimal distortion compared to the cubic half-Heusler phase. The calculated lattice constants are respectively: 6.086إ for Ti2OsNiSb2; 6.207إ for Ti2OsPtSb2; and 6.194إ for Ti2OsPdSb2. with negative formation energies confirming structural stability | |
| dc.identifier.uri | https://dspace.enset-skikda.dz/handle/123456789/291 | |
| dc.language.iso | en | |
| dc.publisher | Higher Normal School of Technological Education of Skikda | |
| dc.title | Double half-Heusler Compounds: Novel High Efficiency Thermoelectric Materials for Energy Applications | |
| dc.title.alternative | physics | |
| dc.type | Higher Normal School of Technological Education of Skikda |