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  Structure and magnetism of collapsed lanthanide elements

McMahon, M. I., Finnegan, S., Husband, R. J., Munro, K. A., Plekhanov, E., Bonini, N., et al. (2019). Structure and magnetism of collapsed lanthanide elements. Physical Review B, 100(2): 024107, pp. 1-7. doi:10.1103/PhysRevB.100.024107.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-7666-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-7668-3
Genre: Journal Article

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 Creators:
McMahon, M. I.1, Author
Finnegan, S.1, Author
Husband, R. J.1, Author
Munro, K. A.1, Author
Plekhanov, E.1, Author
Bonini, N.1, Author
Weber, C.1, Author
Hanfland, M.1, Author
Schwarz, U.2, Author              
Macleod, S. G.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              

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 Abstract: Using synchrotron x-ray diffraction, we show that the long-accepted monoclinic structure of the "collapsed" high-pressure phases reported in seven lanthanide elements [Nd, Tb, Gd, Dy, Ho, Er, and (probably) Tm] is incorrect. In Tb, Gd, Dy, Ho, Er, and Tm we show that the collapsed phases have a 16-atom orthorhombic structure (oF16) not previously seen in the elements, whereas in Nd we show that it has an eight-atom orthorhombic structure (oF8) previously reported in several actinide elements. oF16 and oF8 are members of a new family of layered elemental structures, the discovery of which reveals that the high-pressure structural systematics of the lanthanides, actinides, and group-III elements (Sc and Y) are much more related than previously imagined. Electronic structure calculations of Tb, combined with quantum many-body corrections, confirm the experimental observation, and calculate that the collapsed orthorhombic phase is a ferromagnet, nearly degenerate with an antiferromagnetic state between 60 and 80 GPa. We find that the magnetic properties of Tb survive to the highest pressures obtained in our experiments (110 GPa). Further calculations of the collapsed phases of Gd and Dy, again using the correct crystal structure, show the former to be a type-A antiferromagnet, whereas the latter is ferromagnetic.

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Language(s): eng - English
 Dates: 2019-07-222019-07-22
 Publication Status: Published in print
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 100 (2) Sequence Number: 024107 Start / End Page: 1 - 7 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008