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  Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

Xie, L. S., Schoop, L. M., Medvedev, S. A., Felser, C., & Cava, R. J. (2014). Pressure-induced structural phase transition in the half-Heusler compound CaAuBi. Solid State Sciences, 30, 6-10. doi:10.1016/j.solidstatesciences.2014.02.001.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-30ED-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0018-0C57-2
Genre: Journal Article

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 Creators:
Xie, Lilia S.1, Author
Schoop, Leslie M.1, Author
Medvedev, Sergey A.2, Author              
Felser, Claudia3, Author              
Cava, R. J.1, Author
Affiliations:
1external, ou_persistent22              
2Sergiy Medvediev, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863438              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.

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Language(s): eng - English
 Dates: 2014-04-01
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
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Title: Solid State Sciences
Source Genre: Journal
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Publ. Info: Paris : Elsevier Masson SAS
Pages: - Volume / Issue: 30 Sequence Number: - Start / End Page: 6 - 10 Identifier: ISSN: 1293-2558
CoNE: /journals/resource/954926245540