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Journal Article

Local structure and magnetism of LaxEu1−xPO4 solid solutions


Baldovi,  J.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Martel, L., Rakhmatullin, A., Baldovi, J., Perfetti, M., Popa, K., Deschamps, M., et al. (2019). Local structure and magnetism of LaxEu1−xPO4 solid solutions. Physical Review B, 100(5): 054412. doi:10.1103/PhysRevB.100.054412.

Cite as: https://hdl.handle.net/21.11116/0000-0004-8A25-7
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.