Abstract
Experimental data show that under pressure, Gd goes through a series of structural transitions hcp→Sm-type (close-packed rhombohedral) →dhcp that is accompanied by a gradual decrease of the Curie temperature and magnetization till the collapse of a finite magnetization close to the dhcp structure. We explore theoretically the pressure-induced changes of the magnetic properties, by describing these structural transitions as the formation of fcc stacking faults. Using this approach, we are able to describe correctly the variation of the Curie temperature with pressure, in contrast to a static structural model using the hcp structure.
| Original language | English |
|---|---|
| Article number | 174404 |
| Journal | Physical Review B |
| Volume | 110 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - 1 Nov 2024 |
| MoE publication type | A1 Journal article-refereed |
Funding
R.M.V. would like to thank Anders Bergman for the discussion on magnetically frustrated configurations and Erna K. Delczeg-Czirjak for the support in validation calculations. This work was supported by the Swedish Foundation for Strategic Research, within the project Magnetic Materials for Green Energy Technology (Ref. No. EM16-0039), StandUp, eSSENCE, the Swedish Energy Agency (Energimyndigheten), the Knut and Alice Wallenberg Foundation, the Magnus Ehrnrooth Foundation, the ERC (FASTCORR project), and the Swedish Research Council (VR). The computations performed in this work were enabled by resources provided by the CSC\u2013IT Center for Science, Finland, and by the Swedish National Infrastructure for Computing Centre (SNIC) at the NSC and PDC centers, partially funded by the Swedish Research Council through Grant Agreement No. 2018-05973.
