| Autor: |
Costa, Rui M., Belo, João H., Barbosa, Marcelo B., Algarabel, Pedro A., Magén, César, Morellón, Luis, Ibarra, Manuel R., Gonçalves, João N., Fortunato, Nuno M., Amaral, João S., Araújo, João P., Pereira, André M. |
| Předmět: |
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| Zdroj: |
Physica Status Solidi (B); Oct2017, Vol. 254 Issue 10, p1-N.PAG, 6p |
| Abstrakt: |
In this report, a successful thermodynamical model was employed to understand the structural transition in Er5Si4, able to explain the decoupling of the magnetic and structural transition. This was achieved by DFT calculations, which were used to determine the energy differences at 0 K, using a LSDA+U approximation. It was found that the M structure is the stable phase at low temperatures, as verified experimentally with a value of ΔF0=-0.262 eV. Finally, a variation of Seebeck coefficient (~6 μV) was determined at the structural transition, which allows to conclude that the electronic entropy variation is negligible in the transition. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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