Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets

Although low-dimensional S  = 1 antiferromagnets remain of great interest, difficulty in obtaining high-quality single crystals of the newest materials hinders experimental research in this area. Polycrystalline samples are more readily produced, but there are inherent problems in extracting the mag...

Full description

Bibliographic Details
Main Authors: W J A Blackmore, J Brambleby, T Lancaster, S J Clark, R D Johnson, J Singleton, A Ozarowski, J A Schlueter, Y-S Chen, A M Arif, S Lapidus, F Xiao, R C Williams, S J Blundell, M J Pearce, M R Lees, P Manuel, D Y Villa, J A Villa, J L Manson, P A Goddard
Format: Article
Language:English
Published: IOP Publishing 2019-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/ab3dba
_version_ 1797750036094779392
author W J A Blackmore
J Brambleby
T Lancaster
S J Clark
R D Johnson
J Singleton
A Ozarowski
J A Schlueter
Y-S Chen
A M Arif
S Lapidus
F Xiao
R C Williams
S J Blundell
M J Pearce
M R Lees
P Manuel
D Y Villa
J A Villa
J L Manson
P A Goddard
author_facet W J A Blackmore
J Brambleby
T Lancaster
S J Clark
R D Johnson
J Singleton
A Ozarowski
J A Schlueter
Y-S Chen
A M Arif
S Lapidus
F Xiao
R C Williams
S J Blundell
M J Pearce
M R Lees
P Manuel
D Y Villa
J A Villa
J L Manson
P A Goddard
author_sort W J A Blackmore
collection DOAJ
description Although low-dimensional S  = 1 antiferromagnets remain of great interest, difficulty in obtaining high-quality single crystals of the newest materials hinders experimental research in this area. Polycrystalline samples are more readily produced, but there are inherent problems in extracting the magnetic properties of anisotropic systems from powder data. Following a discussion of the effect of powder-averaging on various measurement techniques, we present a methodology to overcome this issue using thermodynamic measurements. In particular we focus on whether it is possible to characterise the magnetic properties of polycrystalline, anisotropic samples using readily available laboratory equipment. We test the efficacy of our method using the magnets [Ni(H _2 O) _2 (3,5-lutidine) _4 ](BF _4 ) _2 and Ni(H _2 O) _2 (acetate) _2 (4-picoline) _2 , which have negligible exchange interactions, as well as the antiferromagnet [Ni(H _2 O) _2 (pyrazine) _2 ](BF _4 ) _2 , and show that we are able to extract the anisotropy parameters in each case. The results obtained from the thermodynamic measurements are checked against electron-spin resonance and neutron diffraction. We also present a density functional method, which incorporates spin–orbit coupling to estimate the size of the anisotropy in [Ni(H _2 O) _2 (pyrazine) _2 ](BF _4 ) _2 .
first_indexed 2024-03-12T16:26:59Z
format Article
id doaj.art-efe8a1fe402f4a87b15e2253df0b90cb
institution Directory Open Access Journal
issn 1367-2630
language English
last_indexed 2024-03-12T16:26:59Z
publishDate 2019-01-01
publisher IOP Publishing
record_format Article
series New Journal of Physics
spelling doaj.art-efe8a1fe402f4a87b15e2253df0b90cb2023-08-08T15:41:14ZengIOP PublishingNew Journal of Physics1367-26302019-01-0121909302510.1088/1367-2630/ab3dbaDetermining the anisotropy and exchange parameters of polycrystalline spin-1 magnetsW J A Blackmore0J Brambleby1T Lancaster2https://orcid.org/0000-0002-6714-4215S J Clark3R D Johnson4J Singleton5A Ozarowski6https://orcid.org/0000-0001-6225-9796J A Schlueter7Y-S Chen8https://orcid.org/0000-0002-7646-7761A M Arif9S Lapidus10F Xiao11R C Williams12S J Blundell13https://orcid.org/0000-0002-3426-0834M J Pearce14M R Lees15https://orcid.org/0000-0002-2270-2295P Manuel16D Y Villa17J A Villa18J L Manson19https://orcid.org/0000-0003-2692-3500P A Goddard20https://orcid.org/0000-0002-0666-5236Department of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomDepartment of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomCentre for Materials Physics, Durham University , Durham, DH1 3LE, United KingdomCentre for Materials Physics, Durham University , Durham, DH1 3LE, United KingdomClarendon Laboratory, University of Oxford , Parks Road, Oxford OX1 3PU, United KingdomNHMFL, Los Alamos National Laboratory, Los Alamos, NM 87545, United States of AmericaNHMFL, Florida State University , Tallahassee, FL 32310, United States of AmericaMaterials Science Division, Argonne National Laboratory, IL 60439, United States of America; Division of Materials Research, National Science Foundation, 2415 Eisenhower Ave, Alexandria, VA 22314, United States of AmericaChemMatCARS, Advanced Photon Source, Argonne National Laboratory, IL 60439, United States of AmericaDepartment of Chemistry, University of Utah , Salt Lake City, UT 84112, United States of AmericaX-ray Sciences Division, Argonne National Laboratory, IL 60439, United States of AmericaDepartment of Chemistry and Biochemistry, University of Bern , 3012 Bern, Switzerland; Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI, SwitzerlandDepartment of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomClarendon Laboratory, University of Oxford , Parks Road, Oxford OX1 3PU, United KingdomDepartment of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomDepartment of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon, OX11 0QX, United KingdomDepartment of Chemistry and Biochemistry, Eastern Washington State University , Cheney, WA 99004, United States of AmericaDepartment of Chemistry and Biochemistry, Eastern Washington State University , Cheney, WA 99004, United States of AmericaDepartment of Chemistry and Biochemistry, Eastern Washington State University , Cheney, WA 99004, United States of AmericaDepartment of Physics, University of Warwick , Coventry, CV4 7AL, United KingdomAlthough low-dimensional S  = 1 antiferromagnets remain of great interest, difficulty in obtaining high-quality single crystals of the newest materials hinders experimental research in this area. Polycrystalline samples are more readily produced, but there are inherent problems in extracting the magnetic properties of anisotropic systems from powder data. Following a discussion of the effect of powder-averaging on various measurement techniques, we present a methodology to overcome this issue using thermodynamic measurements. In particular we focus on whether it is possible to characterise the magnetic properties of polycrystalline, anisotropic samples using readily available laboratory equipment. We test the efficacy of our method using the magnets [Ni(H _2 O) _2 (3,5-lutidine) _4 ](BF _4 ) _2 and Ni(H _2 O) _2 (acetate) _2 (4-picoline) _2 , which have negligible exchange interactions, as well as the antiferromagnet [Ni(H _2 O) _2 (pyrazine) _2 ](BF _4 ) _2 , and show that we are able to extract the anisotropy parameters in each case. The results obtained from the thermodynamic measurements are checked against electron-spin resonance and neutron diffraction. We also present a density functional method, which incorporates spin–orbit coupling to estimate the size of the anisotropy in [Ni(H _2 O) _2 (pyrazine) _2 ](BF _4 ) _2 .https://doi.org/10.1088/1367-2630/ab3dbamagnetismmolecule-based magnetslow-dimensional magnetism
spellingShingle W J A Blackmore
J Brambleby
T Lancaster
S J Clark
R D Johnson
J Singleton
A Ozarowski
J A Schlueter
Y-S Chen
A M Arif
S Lapidus
F Xiao
R C Williams
S J Blundell
M J Pearce
M R Lees
P Manuel
D Y Villa
J A Villa
J L Manson
P A Goddard
Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
New Journal of Physics
magnetism
molecule-based magnets
low-dimensional magnetism
title Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
title_full Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
title_fullStr Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
title_full_unstemmed Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
title_short Determining the anisotropy and exchange parameters of polycrystalline spin-1 magnets
title_sort determining the anisotropy and exchange parameters of polycrystalline spin 1 magnets
topic magnetism
molecule-based magnets
low-dimensional magnetism
url https://doi.org/10.1088/1367-2630/ab3dba
work_keys_str_mv AT wjablackmore determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT jbrambleby determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT tlancaster determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT sjclark determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT rdjohnson determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT jsingleton determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT aozarowski determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT jaschlueter determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT yschen determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT amarif determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT slapidus determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT fxiao determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT rcwilliams determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT sjblundell determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT mjpearce determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT mrlees determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT pmanuel determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT dyvilla determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT javilla determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT jlmanson determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets
AT pagoddard determiningtheanisotropyandexchangeparametersofpolycrystallinespin1magnets