<div class="csl-bib-body">
<div class="csl-entry">Lin, K., Li, G., Khmelevskyi, S., Pourovskii, L. V., Jiang, S., Kato, K., Yu, C., Cao, Y., Li, Q., Kuang, X., & Xing, X. (2023). The Structure of Terbium in the Ferromagnetic State. <i>Journal of the American Chemical Society</i>, <i>145</i>(32), 17856–17862. https://doi.org/10.1021/jacs.3c04931</div>
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dc.identifier.issn
0002-7863
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/191588
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dc.description.abstract
Metals typically crystallize in highly symmetric structures due to their nondirectional and nonsaturated metallic bonds. Here, we report that terbium metal in its ferromagnetic state adopts an unusual low-symmetry orthorhombic structure with a Cmcm space group. A similar structure has been previously observed only in a few actinide metals with bonding 5f electrons at ambient pressure, such as uranium, neptunium, and plutonium, but with different nearest coordination numbers and bond-length variations. The Tb atom occupies the 4c site (0, ∼0.1661, 1/4), building up -[Tb-Tb]- layers stacking along the b-axis. Our first-principles many-body calculations of the crystal field splitting in the correlated Tb 4f-shell demonstrate that the Cmcm structure for ferromagnetic terbium is stabilized by magneto-elastic forces due to a secondary order of quadrupolar moments in the ferromagnetic state. These findings are significant for further understanding of the nature of terbium, including its electron structure, energy bands, phonons, and magnetism.
en
dc.language.iso
en
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dc.publisher
AMER CHEMICAL SOC
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dc.relation.ispartof
Journal of the American Chemical Society
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dc.subject
chemical structure
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dc.subject
Crystal structure
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dc.subject
Electronic structure
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dc.subject
Metals
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dc.subject
Terbium
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dc.title
The Structure of Terbium in the Ferromagnetic State