ArXiv · 2026
We report on the single-crystal growth, crystal structure, and physical properties of Yb₃Pd₄Bi₈. Single crystal x-ray diffraction shows that the material crystallizes in the Ca₃Pd₄Bi₈ structure-type at ambient conditions, described by orthorhombic symmetry Pbam. Magnetization measurements reveal a nearly isotropic diamagnetic response, indicating that Yb is stabilized in a non-magnetic divalent configuration. Electrical resistivity measurements show a metallic behavior. First-principles calculations including spin–orbit coupling describe a metal whose states at the Fermi level are dominated by Bi 6p orbitals, with a density of states within 1% of that of the isoelectronic compound Ca₃Pd₄Bi₈, consistent with a filled and chemically inert 4f shell. They further show that the nonsymmorphic symmetry of the crystal enforces fourfold-degenerate nodal lines on the Brillouin-zone boundary, four of which cross the Fermi level and give symmetry-enforced Dirac points with a linear transverse dispersion. Despite strong metallic and covalent bonding within the Pd-Bi network, Yb₃Pd₄Bi₈ is realized as a rare-earth analog of the Ca₃Pd₄Bi₈ structure type with divalent Yb ions. This result offers a potential avenue to discover other rare-earth analogs within this structural family.
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