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Single-crystalline orthorhombic GdAlGe as a rare-earth magnetic Dirac nodal-line metal

Crystal engineering is a method for discovering new quantum materials and phases, which may be achieved using external pressure or strain. Chemical pressure is unique in that it generates internal pressure perpetually to the lattice. As an example, GdAlSi from the rare-earth (𝑅) 𝑅⁢Al⁢𝑋 (𝑋=Si or Ge) family of Weyl semimetals is considered. Replacing Si with the larger isovalent element Ge creates sufficiently large chemical pressure to induce a structural transition from the tetragonal structure of GdAlSi, compatible with a Weyl semimetallic state, to an orthorhombic phase in GdAlGe, resulting in an inversion-symmetry-protected nodal-line metal. We find that GdAlGe hosts an antiferromagnetic ground state with two successive orderings, at 𝑇 N ⁢1=35K and 𝑇 N ⁢2=30K. In-plane isothermal magnetization shows a magnetic field induced metamagnetic transition at 6.2 T for 2 K. Furthermore, electron-hole compensation gives rise to a large magnetoresistance of ∼100% at 2 K and 14 T. Angle-resolved photoemission spectroscopy measurements and density functional theory calculations reveal a Dirac-like linear band dispersion over an exceptionally large energy range of ∼1.5eV with a high Fermi velocity of ∼10 6 m/s, a rare feature not observed in any magnetic topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Materials Data on GdAlGe by Materials Project

GdAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Gd is bonded to six equivalent Al and six equivalent Ge atoms to form a mixture of edge and face-sharing GdAl6Ge6 cuboctahedra. There are four shorter (3.21 Å) and two longer (3.22 Å) Gd–Al bond lengths. There are four shorter (3.20 Å) and two longer (3.25 Å) Gd–Ge bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six equivalent Gd and three equivalent Al atoms.

36 MATERIALS SCIENCE↗