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Title: Enhancing Magnetic Functionality with Scandium: Breaking Stereotypes in the Design of Rare Earth Materials

Replacement of strongly magnetic gadolinium with weakly magnetic scandium unexpectedly enhances ferromagnetic interactions in (Gd 1–xSc x) 5Ge 4. Based upon this counterintuitive experimental finding we demonstrate the unique role 3d 1 electrons of scandium atoms play in mediating magnetic interactions between the gadolinium atoms from the neighboring layers in the Sm 5Ge 4-type crystal lattice. Scandium substitutions at and below 20% rapidly increase the Curie temperature, TC, of the Gd 5Ge 4 parent, eliminate both the kinetic arrest and hysteresis, and drastically improve reversibility of the first-order magnetostructural transformation at T C. In agreement with first-principles predictions, higher than 20% Sc leads to the formation of a closely related Pu 5Rh 4-type structure where the first-order magnetostructural transformation is replaced by a conventional second-order ferromagnetic ordering that remains accompanied by a continuous rearrangement of the crystal lattice. In conclusion, comparison of two materials with similar structures and compositions shows that significantly stronger magnetocaloric effect occurs in the first-order material, which also shows very small hysteresis. Furthermore, we demonstrate that a behavior of a specific interatomic distance can predict anomalous physical properties in a series of alloys where compositional dependence of lattice parameters suggests a rather trivial solid solubility andmore » uninteresting magnetism.« less
Authors:
ORCiD logo ; ; ;
Publication Date:
Report Number(s):
IS-J-9303
Journal ID: ISSN 0897-4756
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 9; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
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
OSTI Identifier:
1355454

Mudryk, Yaroslav, Paudyal, Durga, Liu, Jing, and Pecharsky, Vitalij K. Enhancing Magnetic Functionality with Scandium: Breaking Stereotypes in the Design of Rare Earth Materials. United States: N. p., Web. doi:10.1021/acs.chemmater.7b00314.
Mudryk, Yaroslav, Paudyal, Durga, Liu, Jing, & Pecharsky, Vitalij K. Enhancing Magnetic Functionality with Scandium: Breaking Stereotypes in the Design of Rare Earth Materials. United States. doi:10.1021/acs.chemmater.7b00314.
Mudryk, Yaroslav, Paudyal, Durga, Liu, Jing, and Pecharsky, Vitalij K. 2017. "Enhancing Magnetic Functionality with Scandium: Breaking Stereotypes in the Design of Rare Earth Materials". United States. doi:10.1021/acs.chemmater.7b00314. https://www.osti.gov/servlets/purl/1355454.
@article{osti_1355454,
title = {Enhancing Magnetic Functionality with Scandium: Breaking Stereotypes in the Design of Rare Earth Materials},
author = {Mudryk, Yaroslav and Paudyal, Durga and Liu, Jing and Pecharsky, Vitalij K.},
abstractNote = {Replacement of strongly magnetic gadolinium with weakly magnetic scandium unexpectedly enhances ferromagnetic interactions in (Gd1–xScx)5Ge4. Based upon this counterintuitive experimental finding we demonstrate the unique role 3d1 electrons of scandium atoms play in mediating magnetic interactions between the gadolinium atoms from the neighboring layers in the Sm5Ge4-type crystal lattice. Scandium substitutions at and below 20% rapidly increase the Curie temperature, TC, of the Gd5Ge4 parent, eliminate both the kinetic arrest and hysteresis, and drastically improve reversibility of the first-order magnetostructural transformation at TC. In agreement with first-principles predictions, higher than 20% Sc leads to the formation of a closely related Pu5Rh4-type structure where the first-order magnetostructural transformation is replaced by a conventional second-order ferromagnetic ordering that remains accompanied by a continuous rearrangement of the crystal lattice. In conclusion, comparison of two materials with similar structures and compositions shows that significantly stronger magnetocaloric effect occurs in the first-order material, which also shows very small hysteresis. Furthermore, we demonstrate that a behavior of a specific interatomic distance can predict anomalous physical properties in a series of alloys where compositional dependence of lattice parameters suggests a rather trivial solid solubility and uninteresting magnetism.},
doi = {10.1021/acs.chemmater.7b00314},
journal = {Chemistry of Materials},
number = 9,
volume = 29,
place = {United States},
year = {2017},
month = {4}
}