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Title: 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 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.
Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [2] ;  [2] ;  [2] ;  [2] ;  [3]
  1. Daresbury Lab. (United Kingdom)
  2. Ames Lab., Ames, IA (United States)
  3. Univ. of Warwick, Coventry (United Kingdom)
Publication Date:
Report Number(s):
IS-J-9532
Journal ID: ISSN 0304-8853; PII: S0304885317305243; TRN: US1800856
Grant/Contract Number:
AC02-07CH11358; EP/J06750/1
Type:
Accepted Manuscript
Journal Name:
Journal of Magnetism and Magnetic Materials
Additional Journal Information:
Journal Volume: 448; Journal Issue: C; Journal ID: ISSN 0304-8853
Publisher:
Elsevier
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Magnetism; first principles; DLM; SIC-LSD; GdCu; GdZn; GdCd; GdMg
OSTI Identifier:
1415798