تقرير
Transport phenomena of TiCoSb: Defects induced modification in structure and density of states
| العنوان: | Transport phenomena of TiCoSb: Defects induced modification in structure and density of states |
|---|---|
| المؤلفون: | Mahakal, S., Das, Diptasikha, Singha, Pintu, Banerjee, Aritra, Chatterjee, S., Maiti, Santanu K., Aravindh, S. Assa, Malik, K. |
| سنة النشر: | 2023 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Mesoscale and Nanoscale Physics |
| الوصف: | TiCoSb1+x (x=0.0, 0.01, 0.02, 0.03, 0.04, 0.06) samples have been synthesized, employing solid state reaction method followed by arc menting. Theoretical calculations, using Density Functional Theory (DFT) have been performed to estimate band structure and density of states (DOS). Further, energitic calculations, using first principle have been carried out to reveal the formation energy for vacancy, interstitial, anti-site defects. Detail structural calculation, employing Rietveld refinement reveals the presence of embedded phases, vacancy and interstitial atom, which is also supported by the theoretical calculations. Lattice strain, crystalline size and dislocation density have been estimated by Williamson-Hall and modified Williamson-Hall methods. Thermal variation of resistivity [\r{ho}(T)] and thermopower [S(T)] have been explained using Mott equation and density of states (DOS) modification near the Fermi surface due to Co vancancy and embedded phases. Figure of merit (ZT) has been calculated and 4 to 5 times higher ZT for TiCoSb than earlier reported value is obtained at room temperature. Comment: 12 pages, 12 figures (comments are welcome) |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2305.15303 |
| رقم الأكسشن: | edsarx.2305.15303 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |