Local structure and magnetism of LaxEu1-xPO4 solid solutions

Laura Martel; Aydar Rakhmatullin; José J. Baldoví; Mauro Perfetti; Karin Popa; Michael Deschamps; Thomas Gouder; Eric Colineau; Attila Kovács; Jean-Christophe Griveau

doi:10.1103/PhysRevB.100.054412

Local structure and magnetism of La_xEu_1-xPO₄ solid solutions

Laura Martel, Aydar Rakhmatullin, José J. Baldoví, Mauro Perfetti, Karin Popa, Michael Deschamps, Thomas Gouder, Eric Colineau, Attila Kovács, Jean-Christophe Griveau

Kemisk Institut

3 Citationer (Scopus)

Abstract

By combining high spinning speed (60 kHz) and low-field (4.7 T) P31 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.

Originalsprog	Engelsk
Artikelnummer	054412
Tidsskrift	Physical Review B
Vol/bind	100
Udgave nummer	5
Antal sider	17
ISSN	2469-9950
DOI	https://doi.org/10.1103/PhysRevB.100.054412
Status	Udgivet - 9 aug. 2019

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10.1103/PhysRevB.100.054412

Citationsformater

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title = "Local structure and magnetism of LaxEu1-xPO4 solid solutions",

abstract = "By combining high spinning speed (60 kHz) and low-field (4.7 T) P31 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.",

author = "Laura Martel and Aydar Rakhmatullin and Baldov{\'i}, {Jos{\'e} J.} and Mauro Perfetti and Karin Popa and Michael Deschamps and Thomas Gouder and Eric Colineau and Attila Kov{\'a}cs and Jean-Christophe Griveau",

year = "2019",

month = aug,

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doi = "10.1103/PhysRevB.100.054412",

language = "English",

volume = "100",

journal = "Physical Review B",

issn = "2469-9950",

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T1 - Local structure and magnetism of LaxEu1-xPO4 solid solutions

AU - Martel, Laura

AU - Rakhmatullin, Aydar

AU - Baldoví, José J.

AU - Perfetti, Mauro

AU - Popa, Karin

AU - Deschamps, Michael

AU - Gouder, Thomas

AU - Colineau, Eric

AU - Kovács, Attila

AU - Griveau, Jean-Christophe

PY - 2019/8/9

Y1 - 2019/8/9

N2 - By combining high spinning speed (60 kHz) and low-field (4.7 T) P31 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.

AB - By combining high spinning speed (60 kHz) and low-field (4.7 T) P31 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.

U2 - 10.1103/PhysRevB.100.054412

DO - 10.1103/PhysRevB.100.054412

M3 - Journal article

SN - 2469-9950

VL - 100

JO - Physical Review B

JF - Physical Review B

IS - 5

M1 - 054412

ER -

Local structure and magnetism of LaxEu1-xPO4 solid solutions

Abstract

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Citationsformater

Local structure and magnetism of La_xEu_1-xPO₄ solid solutions