Synthesis, magnetism and electronic structure of YbNi2-xFexAl8 (x=0.91) isolated from Al flux

Xiuni Wu, Melanie Francisco, Zsolt Rak, T. Bakas, S. D. Mahanti, Mercouri G. Kanatzidis

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Abstract

The combination of ytterbium, nickel, iron in liquid aluminum resulted in the formation of the new intermetallic compound YbNi2-xFexAl8 (x=0.91) which adopts the CaCo2Al8 structure type with a=14.458(3) Å, b=12.455(3) Å, c=3.9818(8) Å and space group Pbam. Its resistivity drops with decreasing temperature, saturating to a constant value at lower temperatures. Above 50 K, the inverse magnetic susceptibility data follows Curie-Weiss Law, with a calculated μeff=2.19 μB. Although the observed reduced moment in magnetic susceptibility measurement suggests that the Yb ions in this compound are of mixed-valent nature, ab initio electronic structure calculations within density functional theory using LDA+U approximation give an f13 configuration in the ground state.

Original languageEnglish
Pages (from-to)3269-3277
Number of pages9
JournalJournal of Solid State Chemistry
Volume181
Issue number12
DOIs
Publication statusPublished - Dec 1 2008

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Keywords

  • Band calculations
  • Flux synthesis
  • Intermetallics

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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