RE 7 M 4 InGe 12 (RE = Y, Gd–Er; M = Rh, Os) Quaternary Germanide Series Expansion with Structural Motif Clustering
Year: 2025
Type: article
Abstract: Intermetallic compounds with two alternating planes of atoms, forming AB layer stacking, are found in several intermetallic prototypes. Yb7Co4InGe12-type (adopting tetragonal P4/m space group) belongs to this group, and in this work, we vastly expanded this series by synthesizing compounds with RE7M4InGe12 (RE = Y, Gd, Tb, Dy, Ho, Er; M = Rh, Os) formula by arc melting. Structural analysis and impurity identification by X-ray diffraction and compositional analysis with energy dispersive X-ray spectroscopy confirm the Yb₇Co₄InGe₁₂-type structure and composition. The anionic network (M–In–Ge) motif geometry and stability is influenced by lanthanoid contraction via RE element substitution. Density functional theory calculations reveal that M substitution, particularly from Ru to Os, Rh, and Pd shifts the Fermi level, with electronic structure stabilization occurring with the valence electron-rich metals. These results support previous knowledge of the Yb₇Co₄InGe₁₂ structure-type, and offer more insight into tunability of electronic properties in RE7M4InGe12 through element substitution. Finally, the structural evolution of Yb7Co4InGe12-type among other intermetallic prototypes with similar structural motif were analyzed using materials informatics tools for crystal structure clustering, which could be expanded to other structural families.
Source: Inorganic Chemistry
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W4417453703