Factors governing Yb magnetism in Yb0.95PtIn2 and other MgCuAl2-type structures

The ternary compound “YbPtIn2” has been synthesized and its crystal structure determined using single crystal X-ray diffraction techniques. The compound crystallizes in the MgCuAl2 structure, a ternary structure type often formed when rare earth metals, Group 10 transition metals, and indium are present in a 1:1:2 ratio. The unit cell is C-centered orthorhombic, space group Cmcm (#63) with lattice parameters of a=4.3410(1) Å, b=10.3230(2) Å, and c=7.8510(2) Å. Evidence is found for a substantial non-stoichiometry on the Yb site, in contrast to the Pt and In sites which behave as expected, and it is believed that the stoichiometry of this compound is more properly described as Yb0.95PtIn2. Magnetic and resistivity measurements reveal that “YbPtIn2” is a weakly interacting, non-magnetic metal exclusively containing Yb2+, and with a resistivity (ρ) varying from 34 μΩ cm at room temperature to a residual resistivity ρ0 of 23 μΩ cm at 1.8 K. Density functional theory calculations suggest that the observed diamagnetic Yb behavior is expected for this compound, but that certain substitutions on the Pt or In site could help stabilize magnetic Yb3+ and potentially induce heavy fermion behavior.

The crystal structure, magnetic behavior, and temperature-dependent resistivity of the new ternary compound Yb0.95PtIn2.Figure optionsDownload as PowerPoint slideHighlights
► Flux growth method used to produce Yb0.95PtIn2 single crystals.
► Found rare example of non-stoichiometry in a MgCuAl2-type structure.
► The resistivity and diamagnetic response of Yb0.95PtIn2 were modeled.
► DFT correctly predicts presence of Yb2+ in Yb0.95PtIn2.
► COHP results suggest other MgCuAl2-type indides that may contain paramagnetic Yb3+.