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Temperature-Dependent Structural Transition in Cu-Intercalated Trigonal CuYbSe2

The date of: 2025-12-05
viewed: 28

来源:ACS Publications

Rare-earth delafossites, ARCh2; A = alkali metal, R = rare-earth, Ch = chalcogen which consist of intercalated rare-earth metal dichalcogenides, host frustrated triangular lattices that are fertile ground for exotic phenomena. In most cases, the triangular rare-earth sublattice arises from R-3m (No. 166) structures with three layers of rare-earth metal dichalcogenide octahedra or P63/mmc (No. 194) structures with two such layers, analogous to those found in transition metal dichalcogenides. Substituting the alkali metal with Cu+ yields a distinct trigonal crystal symmetry─P-3m1 (No. 164)─in these structures. This symmetry change alters the coordination environment from ASe6 octahedra in R-3m AYbSe2 to CuSe4 tetrahedra in CuYbSe2, resulting in shortened rare-earth to rare-earth separations and significantly reduced interlayer distances. Using X-ray single-crystal diffraction, powder neutron diffraction, resistance, and specific heat measurements, a structural transition slightly below room temperature (258 K) is observed. The low-temperature structure is a lower-symmetry I2/m structure, accompanied by partial Cu-site vacancy ordering. The combination of Cu disorder and the triangular lattice geometry in CuYbSe2 provides a promising platform for investigating frustrated magnetism and unconventional transport phenomena.


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