Campus Units
Chemistry, Ames Laboratory
Document Type
Article
Publication Version
Accepted Manuscript
Publication Date
8-2018
Journal or Book Title
Journal of Solid State Chemistry
Volume
264
First Page
68
Last Page
76
DOI
10.1016/j.jssc.2018.05.009
Abstract
Gd(Co1-xGax)2 (x = 0, 1/6, 1/3, 1/2, 2/3, 5/6, and 1) phases were synthesized by arc melting the constituent elements and subsequent annealing. The samples were characterized by powder and single crystal X-ray diffraction, magnetic measurements, and electronic structure calculations. An interesting structural sequence was obtained: cubic MgCu2-type structure for x = 0 and 1/6; MgZn2-type structure for x = 1/3; orthorhombic SrMgSi-type structure for x = ½; orthorhombic CeCu2-type structure for x = 2/3; hexagonal AlB2-type structure for x = 5/6 and 1. Tight-binding linear-muffin-tin orbital (TB-LMTO) calculations were performed on GdCo2, GdCoGa, and GdGa2 to trace the origin of their structural transformations, which appear to be driven by the changes in the valence electron count (VEC). In addition, some conclusions of these fully stoichiometric compounds were obtained from the rigid band model. GdGa2 (x = 1) is antiferromagnetic, while the other ones are either ferrimagnetic or ferromagnetic. TC of Gd(Co1-xGax)2 decreases monotonically with the increasing Ga content, suggesting that promising room temperature (RT) magnetocaloric materials could be obtained between x = 1/6 and x = 1/3.
Creative Commons License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.
Copyright Owner
Elsevier Inc.
Copyright Date
2018
Language
en
File Format
application/pdf
Recommended Citation
Yuan, Fang; Toombs, Asa; Miller, Gordon J.; and Mozharivskyj, Yurij, "Gd(Co1-xGax)2: Synthesis, crystal structures, and investigation of structural transformations and magnetic properties" (2018). Chemistry Publications. 1280.
https://lib.dr.iastate.edu/chem_pubs/1280
Comments
This is a manuscript of an article published as Yuan, Fang, Asa Toombs, Gordon J. Miller, and Yurij Mozharivskyj. "Gd (Co1-xGax) 2: Synthesis, crystal structures, and investigation of structural transformations and magnetic properties." Journal of Solid State Chemistry 264 (2018): 68-76. DOI: 10.1016/j.jssc.2018.05.009. Posted with permission.