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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Anisotropic magnetism and Kondo-lattice behavior in the frustrated antiferromagnet Ce 3 ⁢MgBi 5

Here, we report the synthesis and physical characterization of single-crystalline Ce 3 ⁢MgBi 5 , a previously unexplored member of the Ce 3 ⁢𝑀⁢𝑃⁢𝑛 5 family. This compound crystallizes in the hexagonal 𝑃⁢6 3 /𝑚⁢𝑐⁢𝑚 structure, featuring an anisotropic Ce sublattice composed of zigzag chains along the 𝑐 axis and a distorted kagome-like network in the basal plane. Magnetization measurements reveal antiferromagnetic order below 𝑇 𝑁 ≈ 4.2K with strong magnetic anisotropy and multiple field-induced metamagnetic transitions for fields applied perpendicular to [001], leading to a dome-shaped 𝐻–𝑇 phase diagram. Electrical transport exhibits characteristic signatures of a Ce-based Kondo lattice, including broad resistivity maxima and pronounced field-dependent anomalies in the magnetoresistance and Hall response that track the magnetic phase boundaries. Specific-heat measurements confirm the magnetic transition and show that the full R ⁢ln⁡ 2 entropy expected for a Ce 3+ Kramers doublet is recovered by 20 K, indicating an extended temperature range of magnetic fluctuations consistent with Kondo correlations. Our results establish Ce 3 ⁢MgBi 5 as a platform within the Ce 3 ⁢𝑀⁢𝑃⁢𝑛 5 family for exploring the interplay of geometric frustration, magnetic anisotropy, and Kondo-lattice physics under applied magnetic fields.

Kondo effect↗
DOE OSTI2020

Materials Data on Ba(MgBi)2 by Materials Project

Ba(MgBi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba is bonded to six equivalent Bi atoms to form BaBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent BaBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Ba–Bi bond lengths are 3.60 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent BaBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent BaBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–52°. All Mg–Bi bond lengths are 3.00 Å. Bi is bonded to three equivalent Ba and four equivalent Mg atoms to form a mixture of distorted corner and edge-sharing BiBa3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.09–3.51 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.16–3.33 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.20–3.36 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Mg and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.38 Å. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBi by Materials Project

MgBi crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.14–3.26 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.10–3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(MgBi)2 by Materials Project

CaMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Bi atoms to form CaBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent CaBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Ca–Bi bond lengths are 3.33 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent CaBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent CaBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–56°. There are three shorter (2.96 Å) and one longer (3.01 Å) Mg–Bi bond lengths. Bi is bonded to three equivalent Ca and four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing BiCa3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(MgBi)2 by Materials Project

EuMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent EuBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent EuBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–55°. There are three shorter (2.97 Å) and one longer (3.01 Å) Mg–Bi bond lengths. Eu is bonded to six equivalent Bi atoms to form EuBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent EuBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Eu–Bi bond lengths are 3.40 Å. Bi is bonded to four equivalent Mg and three equivalent Eu atoms to form a mixture of distorted edge and corner-sharing BiEu3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(MgBi)2 by Materials Project

Bi2Mg2Sr crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr is bonded to six equivalent Bi atoms to form SrBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent SrBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Sr–Bi bond lengths are 3.47 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent SrBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent SrBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.98 Å) and one longer (2.99 Å) Mg–Bi bond lengths. Bi is bonded to three equivalent Sr and four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing BiSr3Mg4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗