title: Electronically induced ferromagnetic transitions in Sm5Ge4-type magnetoresponsive phases.
abstract: The correlation between magnetic and structural transitions in Gd(5)Si(x)Ge(4-x) hampers the studies of valence electron concentration (VEC) effects on magnetism. Such studies require decoupling of the VEC-driven changes in the magnetic behavior and crystal structure. The designed compounds, Gd(5)GaSb(3) and Gd(5)GaBi(3), adopt the same Sm(5)Ge(4)-type structure as Gd(5)Ge(4) while the VEC increases from 31  e(-)/formula in Gd(5)Ge(4) to 33  e(-)/formula in Gd(5)GaPn(3) (Pn: pnictide atoms). As a result, the antiferromagnetic ground state in Gd(5)Ge(4) is tuned into the ferromagnetic one in Gd(5)GaPn(3). First-principles calculations reveal that the nature of interslab magnetic interactions is changed by introducing extra p electrons into the conduction band, forming a ferromagnetic bridge between the adjacent (∝)(2)[Gd(5)T(4)] slabs.
authors.affiliation: Research Center for Solid State Physics and Materials, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009, China and Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1, Canada.
authors.forename: Jinlei
authors.initials: J
authors.lastname: Yao
authors.affiliation: Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
authors.forename: Yuemei
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1, Canada.
authors.forename: Peng L
authors.initials: PL
authors.lastname: Wang
authors.affiliation: Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
authors.forename: Laura
authors.initials: L
authors.lastname: Lutz
authors.affiliation: Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
authors.forename: Gordon J
authors.initials: GJ
authors.lastname: Miller
authors.affiliation: Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1, Canada.
authors.forename: Yurij
authors.initials: Y
authors.lastname: Mozharivskyj