Conditions Extrêmes et Matériaux : Haute Température et Irradiation
CEMHTI - UPR3079 CNRS

utilisateur non identifié  |   Login

View CEMHTI Publication

Return to publication search...
Ask for a reprint
email :  


2019

ACL
doi
OpenAccess
HAL

L.Martel, A.Rakhmatullin, J.Baldoví, M.Perfetti, K.Popa, M.Deschamps, T.Gouder, E.Colineau, A.Kovács, J.C.Griveau, 'Local Structure and Magnetism of the LaxEu1-xPO4 Solid-Solutions', Phys. Rev. B 100 054412 (2019) doi:10.1103/physrevb.100.054412

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 LaxEu1−xPO4 (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 electronic structure. 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 unambiguous 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.