Thermopower of the electron-doped manganese pnictide LaMnAsO
| Autor: | Zingl, Manuel, Kraberger, Gernot J., Aichhorn, Markus |
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| Rok vydání: | 2019 |
| Předmět: | |
| Zdroj: | Phys. Rev. Materials 3, 075404 (2019) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevMaterials.3.075404 |
| Popis: | Upon chemical substitution of oxygen with fluor, LaMnAsO has been electron-doped in experiments, resulting in samples with remarkably high Seebeck coefficients of around -300$\mu VK^{-1}$ at room temperature and 3% doping. Within the framework of density functional theory plus dynamical mean-field theory we are not only able to reproduce these experimental observations, but can also provide a thorough investigation of the underlying mechanisms. By considering electronic correlations in the half-filled Mn-3d shells, we trace the high Seebeck coefficient back to an asymmetry in the spectral function, which is due to emergence of incoherent spectral weight under doping and a strong renormalisation of the unoccupied states. This is only possible in correlated systems and cannot be explained by DFT-based band structure calculations. Comment: 8 pages, 5 figures |
| Databáze: | arXiv |
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