Magnetic properties of Gd intermetallics

Here, using first-principles calculations, based on disordered local moment theory, combined with the self-interaction corrected local spin density approximation, we study magnetic interactions in GdX intermetallics for X = Cu, Zn, Ga, Cd, and Mg. Our predicted magnetic orders and ordering temperatu...

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Published inJournal of magnetism and magnetic materials Vol. 448; no. C
Main Authors Petit, L., Szotek, Z., Jackson, J., Lüders, M., Paudyal, D., Mudryk, Y., Pecharsky, V., Gschneidner, Jr., K. A., Staunton, J. B.
Format Journal Article
LanguageEnglish
Published Netherlands Elsevier 01.02.2018
Subjects
DLM
first principles
GdCd
GdCu
GdMg
GdZn
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Magnetism
MATERIALS SCIENCE
SIC-LSD
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Summary:Here, using first-principles calculations, based on disordered local moment theory, combined with the self-interaction corrected local spin density approximation, we study magnetic interactions in GdX intermetallics for X = Cu, Zn, Ga, Cd, and Mg. Our predicted magnetic orders and ordering temperatures both at zero and other pressures agree well with experiments including the large increase in the Curie temperature of GdCd under pressure that is shown by our own experimental measurements. From our results it emerges that the Ruderman-Kittel-Kasuya-Yosida interaction on its own can not explain the observed behaviour under pressure, and that the magnetic ordering mechanism is strongly influenced by the occupations of both Gd and anion d-bands.
Bibliography:AC02-07CH11358; EP/J06750/1
USDOE Office of Science (SC), Basic Energy Sciences (BES)
IS-J-9532
ISSN:0304-8853
DOI:10.1016/j.jmmm.2017.04.005