Influence of strain on the properties of CeRuPO and CeOsPO Kondo systems

Autor:	Komelj, Matej
Rok vydání:	2015
Předmět:	Condensed Matter - Strongly Correlated Electrons Condensed Matter - Materials Science
Zdroj:	J. Magn. Magn. Mater. 393 (2015) 175-178
Druh dokumentu:	Working Paper
DOI:	10.1016/j.jmmm.2015.05.056
Popis:	We investigated the influence of isotropic strain on the type of the magnetic ground-state and the Fermi surface for the structurally-equivalent CeRuPO and CeOsPO crystals with slightly different lattice parameters. The two systems exhibit different magnetic orderings at zero strain. According to the phase diagram of CeRuPO under pressure the difference might be due to the different Ce-Ce inter-atomic distances. We applied {\it ab-initio} calculations based on the density-functional theory and the generalized-gradient approximation with an additional Coulomb repulsion (GGA+$U$), which indeed reveal a significant impact of the strain and the effective $U$ parameter on the magnetic ground state. However, it is demonstrated that the difference is more likely related to the details in the Fermi surface.
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1506.01687 Zobrazit plný text záznamu View this record from Arxiv