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  Local structure and magnetism of LaxEu1−xPO4 solid solutions

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.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0004-8A25-7 Version Permalink: https://hdl.handle.net/21.11116/0000-0004-AA4C-8
Genre: Journal Article

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 Creators:
Martel, L.1, Author
Rakhmatullin, A.2, Author
Baldovi, J.3, Author           
Perfetti, M.4, Author
Popa, K.1, Author
Deschamps, M.2, Author
Gouder, T.1, Author
Colineau, E.1, Author
Kovács, A.1, Author
Griveau, J.-C.1, Author
Affiliations:
1European Commission, Joint Research Centre (JRC), ou_persistent22              
2Conditions Extrêmes et Matériaux: Haute Température et Irradiation, CEMHTI, ou_persistent22              
3Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
4Department of Chemistry, University of Copenhagen, ou_persistent22              

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 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 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.

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Language(s): eng - English
 Dates: 2019-07-052019-06-032019-08-092019-08-09
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1103/PhysRevB.100.054412
 Degree: -

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Project name : We are grateful to Ladia Havela for fruitful discussions about rare-earth magnetism, Nicola Magnani, and Roberto Caciuffo for fruitful discussions about quantum mechanics, and to Thibault Charpentier, for providing the NMR shits for the LnPO4 series obtained in reference 17. J.J.B acknowledges the EU for a Marie Curie Fellowship (H2020-MSCA-IF-2016-751047).
Grant ID : 751047
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 100 (5) Sequence Number: 054412 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008