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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd(BC)2 by Materials Project

GdB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Gd–B bond lengths are 2.78 Å. All Gd–C bond lengths are 2.75 Å. B is bonded in a 2-coordinate geometry to four equivalent Gd and two equivalent C atoms. Both B–C bond lengths are 1.61 Å. C is bonded in a 2-coordinate geometry to four equivalent Gd, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(BC)2 by Materials Project

GdB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Gd–B bond lengths are 2.77 Å. All Gd–C bond lengths are 2.71 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Gd and three equivalent C atoms. There is one shorter (1.53 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Gd and three equivalent B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Low-temperature magnetic structure and lattice response in SmCuAs 2

We investigated the structural and magnetic properties of single-crystalline SmCuAs 2 using high-resolution synchrotron x-ray diffraction and x-ray resonant magnetic scattering (XRMS) at the Sm 𝐿 2 and 𝐿 3 edges. Temperature-dependent diffraction measurements confirm that SmCuAs2 maintains its tetragonal symmetry from room temperature down to 8 K, with lattice parameters showing anomalous behavior below the resistivity minimum (𝑇≈30K). Notably, the c-axis lattice parameter exhibits a plateau and subsequent increase near the Néel temperature, indicating magnetoelastic coupling. XRMS measurements reveal a commensurate antiferromagnetic structure with a propagation vector 𝒒=(0,0,0.5). Our measurement shows that the Sm moments are aligned within the 𝒂𝒃 plane and arranged in a ++−− stacking along the 𝒄 axis. Comparison with related 𝑅⁢𝐸⁢CuAs 2 compounds (RE = Pr, Nd, and Gd) suggests that in-plane moment orientation and associated magnetic frustration play a key role in the emergence of the resistivity minimum. Differences in spin-orbit and magnetoelastic coupling across the series highlight their importance in governing low-temperature transport behavior.

36 MATERIALS SCIENCE↗