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  ScAuIn – a new representative of the RAuIn series

Romaka, V. V., Amigó, M. L., Franco, D., Corredor, L. T., Wurmehl, S., Büchner, B., et al. (2022). ScAuIn – a new representative of the RAuIn series. Journal of Solid State Chemistry, 123416, pp. 1-8. doi:10.1016/j.jssc.2022.123416.

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 Creators:
Romaka, V. V.1, Author
Amigó, M. L.1, Author
Franco, D.2, Author           
Corredor, L. T.1, Author
Wurmehl, S.1, Author
Büchner, B.1, Author
Seiro, S.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863462              

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Free keywords: Crystal structure, DFT modeling, Intermetallics, Magnetic properties, Aluminum alloys, Calculations, Chemical analysis, Chemical bonds, Chemical stability, Gold alloys, Hafnium alloys, Intermetallics, Magnetic susceptibility, Rhodium alloys, Specific heat, Ternary alloys, Thermal variables measurement, Tin alloys, Ab initio calculations, Crystals structures, Densities of state, DFT modeling, Magnetization measurements, Pauli paramagnets, Sommerfeld-coefficient, Space Groups, Specific heat measurement, Type structures, Crystal structure
 Abstract: A new representative of the RAuIn series was discovered in the Sc-Au-In system. ScAuIn crystallizes in the hexagonal HfRhSn-type structure (space group P-62c) with a ​= ​0.75667(2), c ​= ​0.71873(2) nm). Magnetization measurements revealed that ScAuIn is a Pauli paramagnet with magnetic susceptibility of ∼6 ​× ​10−5 emu/mol. The Sommerfeld coefficient γ of 2.8 ​mJ ​K−2 ​mol−1 derived from the specific heat measurements is comparable with those obtained from the modeled density of states at the Fermi level N(EF). Ab initio calculations predict metallic conductivity and show strong chemical bonding within the [InAu] sublattice. The structural stability of the RAuIn with ZrNiAl and HfRhSn structure types is discussed based on crystal chemistry analysis and DFT modeling. © 2022 Elsevier Inc.

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Language(s): eng - English
 Dates: 2022-07-092022-07-09
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1016/j.jssc.2022.123416
 Degree: -

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Title: Journal of Solid State Chemistry
Source Genre: Journal
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Publ. Info: Orlando, Fla. : Academic Press
Pages: - Volume / Issue: - Sequence Number: 123416 Start / End Page: 1 - 8 Identifier: ISSN: 0022-4596
CoNE: https://pure.mpg.de/cone/journals/resource/954922646045