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Title: Complex magnetism of lanthanide intermetallics and the role of their valence electrons: Ab Initio theory and experiment

We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab initio electronic structure theory which includes disordered local moments and strong f-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure of +1.5 K kbar–1 for GdCd confirmed by our experimental measurements of +1.6 K kbar–1. Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. As a result, replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.
Authors:
 [1] ;  [2] ;  [2] ;  [2] ;  [2] ;  [1] ;  [1] ;  [3] ;  [3]
  1. Daresbury Lab., Warrington (United Kingdom)
  2. Iowa State Univ., Ames, IA (United States)
  3. Univ. of Warwick, Coventry (United Kingdom)
Publication Date:
OSTI Identifier:
1225548
Report Number(s):
IS-J-8804
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:
AC02-07CH11358; EP/J06750/1
Type:
Published Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 115; Journal Issue: 20; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE