Local structure and magnetism of L axE u1 -xP O4 solid solutions
Abstract
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 L axE u1 -xP O4 (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 E u3 + cation in their surrounding were predicted by combining the determined crystal field and energy level values with density functional theory (DFT) calculations. For the L a0.9E u0.1P O4 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.
- Publication:
-
Physical Review B
- Pub Date:
- August 2019
- DOI:
- 10.1103/PhysRevB.100.054412
- Bibcode:
- 2019PhRvB.100e4412M