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Temperature-Dependent Structural Transition in Cu-Intercalated Trigonal CuYbSe2.

Matt Boswell1,2, Mingyu Xu1, Saban M Hus3

  • 1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.

Chemistry of Materials : a Publication of the American Chemical Society
|January 19, 2026
PubMed
Summary
This summary is machine-generated.

Rare-earth delafossites like CuYbSe2 exhibit unique crystal structures with triangular lattices. A structural transition below room temperature, coupled with copper disorder, suggests potential for studying frustrated magnetism and exotic transport phenomena.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Crystallography

Background:

  • Rare-earth delafossites (ARCh2) feature frustrated triangular lattices conducive to exotic phenomena.
  • Standard structures involve R-3m or P63/mmc symmetries with rare-earth metal dichalcogenide layers.
  • Substitution of alkali metals with Cu+ in delafossites leads to a distinct P-3m1 trigonal crystal symmetry.

Purpose of the Study:

  • Investigate the structural and magnetic properties of copper-substituted rare-earth delafossites, specifically CuYbSe2.
  • Explore the impact of altered coordination environments and reduced interlayer distances on material properties.
  • Characterize the low-temperature structural transition and its relation to magnetism and transport phenomena.

Main Methods:

  • X-ray single-crystal diffraction
  • Powder neutron diffraction
  • Electrical resistance measurements
  • Specific heat measurements

Main Results:

  • A structural transition was observed at 258 K, below room temperature.
  • The low-temperature phase adopts a lower-symmetry I2/m structure.
  • Partial ordering of copper-site vacancies occurs in the low-temperature phase.
  • Shortened rare-earth separations and reduced interlayer distances were noted compared to alkali-based delafossites.

Conclusions:

  • CuYbSe2 exhibits a structural transition associated with vacancy ordering, altering its crystal symmetry.
  • The combination of disordered copper and triangular lattice geometry makes CuYbSe2 a promising system for studying frustrated magnetism.
  • This material offers a platform for exploring unconventional transport phenomena driven by lattice frustration and disorder.