Determining Seebeck coefficient of heavily doped La:SrTiO3 from density functional calculations
| Autor: | Jian Liu, L.M. Mei, Minglei Zhao, Jialiang Zhang, Yan-fei Zhang, Jichao Li, Chunlei Wang, Ruizhi Zhang, Wenbin Su |
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| Rok vydání: | 2010 |
| Předmět: |
Materials science
Condensed matter physics Fermi level Fermi energy General Chemistry Condensed Matter Physics Thermoelectric materials Computer Science::Other Condensed Matter::Materials Science symbols.namesake Condensed Matter::Superconductivity Seebeck coefficient Thermoelectric effect Density of states symbols General Materials Science Density functional theory Temperature coefficient |
| Zdroj: | Solid State Sciences. 12:1168-1172 |
| ISSN: | 1293-2558 |
| Popis: | A novel approach was developed to calculate temperature-dependent Seebeck coefficient of heavily doped systems. The electronic density of states (DOS) and Fermi energy were determined and then, using these two parameters, the Seebeck coefficient was calculated by using Boltzmann transport theory. This approach is applied to heavily La-doped SrTiO 3 . The calculated Seebeck coefficient agrees well with the experimental data. By analyzing the results, it was shown that Seebeck coefficient is greatly affected by the asymmetry of DOS with respect to Fermi energy. |
| Databáze: | OpenAIRE |
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