title: Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment.
abstract: 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. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.
authors.affiliation: Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom.
authors.forename: L
authors.initials: L
authors.lastname: Petit
authors.affiliation: Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011-3020, USA.
authors.forename: D
authors.initials: D
authors.lastname: Paudyal
authors.affiliation: Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011-3020, USA.
authors.forename: Y
authors.initials: Y
authors.lastname: Mudryk
authors.affiliation: Ames Laboratory, U.S. Department of Energy, and Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011-3020, USA.
authors.forename: K A
authors.initials: KA
authors.lastname: Gschneidner
authors.affiliation: Ames Laboratory, U.S. Department of Energy, and Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011-3020, USA.
authors.forename: V K
authors.initials: VK
authors.lastname: Pecharsky
authors.affiliation: Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom.
authors.forename: M
authors.initials: M
authors.lastname: Lüders
authors.affiliation: Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom.
authors.forename: Z
authors.initials: Z
authors.lastname: Szotek
authors.affiliation: Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.
authors.forename: R
authors.initials: R
authors.lastname: Banerjee
authors.affiliation: Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.
authors.forename: J B
authors.initials: JB
authors.lastname: Staunton