Local structure and magnetism of the LaxEu1-xPO4 solid-solutions

By combining high spinning speed (60 kHz) and low field (4.7 T) 31P solid-state NMR with magnetic susceptibility measurements, we experimentally characterized a series of solid solutions belonging to the La1-xEuxPO4 (0 ≤ x ≤ 1) series. Analyses of the magnetic susceptibility data were carried out using the free ion model and crystal field theory calculations allowing to extract the energy levels and the crystal field parameters. The paramagnetic shifts of the P sites having one Eu3+ cation in their surrounding were predicted by combining the determined crystal field and energy level values with density functional theory (DFT) calculations. For the La0.9Eu0.1PO4 sample, these theoretical shifts gave a very good overall trend allowing the attribution of each P site. This study paves the way for the future analysis of both magnetic susceptibility and NMR data for a broad range of materials containing paramagnetic rare-earth cations.

MARTEL Laura;  RAKHMATULLIN Aydar;  BALDOVÍ José J.;  PERFETTI Mauro;  POPA Karin;  DESCHAMPS Michael;  GOUDER Thomas;  COLINEAU Eric;  KOVACS Attila;  GRIVEAU Jean-Christophe; 

2019-11-27

AMER PHYSICAL SOC

JRC116834

2469-9950 (online),   

https://publications.jrc.ec.europa.eu/repository/handle/JRC116834,   

10.1103/PhysRevB.100.054412 (online),