Ferromagnetic Cr4PtGa17: A Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice

Xin Gui, Erxi Feng, Huibo Cao, Robert J. Cava

Research output: Contribution to journalArticlepeer-review

Abstract

We describe the crystal structure and elementary magnetic properties of a previously unreported ternary intermetallic compound, Cr4PtGa17, which crystallizes in a rhombohedral unit cell in the noncentrosymmetric space group R3m. The crystal structure is closely related to those of XYZ half-Heusler compounds, where X, Y, and Z are reported to be single elements only, occupying three different face-centered-cubic sublattices. The new material, Cr4PtGa17, can be most straightforwardly illustrated by writing the formula as (PtGa2)(Cr4Ga14)Ga (X = PtGa2, Y = Cr4Ga14, Z = Ga); that is, the X and Y sites are occupied by clusters instead of single elements. The magnetic Cr occupies a breathing pyrochlore lattice. Ferromagnetic ordering is found below TC ∼61 K, by both neutron diffraction and magnetometer studies, with a small, saturated moment of ∼0.25 μB/Cr observed at 2 K, making Cr4PtGa17 the first ferromagnetically ordered material with a breathing pyrochlore lattice. A magnetoresistance of ∼140% was observed at 2 K. DFT calculations suggest that the material has a nearly half-metallic electronic structure. The new material, Cr4PtGa17, the first realization of both a half-Heusler-type structure and a breathing pyrochlore lattice, might pave a new way to achieve novel types of half-Heusler compounds.

Original languageEnglish (US)
Pages (from-to)14342-14351
Number of pages10
JournalJournal of the American Chemical Society
Volume143
Issue number35
DOIs
StatePublished - Sep 8 2021

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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