1. On the nature of the (de)coupling of the magnetostructural transition in Er$_5$Si$_4$
- Author
-
Costa, Rui M., Belo, João H., Barbosa, Marcelo B., Algarabel, Pedro A., Magén, César, Morellon, Luis, Ibarra, Manuel R., Gonçalves, João N., Fortunato, Nuno M., Amaral, João S., Araújo, João P., and Pereira, André M.
- Subjects
Condensed Matter - Materials Science - Abstract
In this report, a successful thermodynamical model was employed to understand the structural transition in Er$_5$Si$_4$, able to explain the decoupling of the magnetic and structural transition. This was achieved by the 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 as the stable phase at low temperatures as verified experimentally with a $\Delta F_0 = -$0.262 eV. Finally, it was achieved a variation of Seebeck coefficient ($\sim$ 6 $\mu$V) at the structural transition which allow to conclude that the electronic entropy variation is negligible in the transition., Comment: 17 pages, 3 figures, 1 table
- Published
- 2017
- Full Text
- View/download PDF