Electronic structure, magnetic properties, and magnetostructural transformations in rare earth dialuminides

We report electronic structure, magnetic properties, and magnetostructural transformations of selected rare earth dialuminides calculated by using local spin density approximation (LSDA), including the Hubbard U parameter (LSDA + U) approach. Total energy calculations show that CeAl2 and EuAl2 adopt...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of applied physics 2014-05, Vol.115 (17)
Hauptverfasser: Paudyal, Durga, Pecharsky, V. K., Gschneidner, K. A.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:We report electronic structure, magnetic properties, and magnetostructural transformations of selected rare earth dialuminides calculated by using local spin density approximation (LSDA), including the Hubbard U parameter (LSDA + U) approach. Total energy calculations show that CeAl2 and EuAl2 adopt antiferromagnetic (AFM) ground states, while dialuminides formed by other magnetic lanthanides have ferromagnetic (FM) ground states. The comparison of theoretical and experimental magnetic moments of CeAl2 indicates that the 4f orbital moment of Ce in CeAl2 is quenched. Theoretical calculations confirm that Eu in EuAl2 and Yb in YbAl2 are divalent. PrAl2 exhibits a tetragonal distortion near FM transition. HoAl2 shows a first order magnetostructural transition while DyAl2 shows a second order transformation below magnetic transition. The dialuminides formed by Nd, Tb, and Er are simple ferromagnets without additional anomalies in the FM state.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4866389