MnRhBi₃: A Cleavable Antiferromagnetic Metal

Cleavable metallic antiferromagnets may be of use for low-dissipation spintronic devices; however, few are currently known. Here, in this study, we present orthorhombic MnRhBi₃ as one such compound and present a thorough study of its physical properties. Exfoliation is demonstrated experimentally, and the cleavage energy and electronic structure are examined by density functional theory calculations. It is concluded that MnRhBi₃ is a van der Waals-layered material that cleaves easily between neighboring Bi layers and that the Bi atoms have lone pairs extending into the van der Waals gaps. A series of four phase transitions are observed below room temperature, and neutron diffraction shows that at least two of the transitions involve the formation of antiferromagnetic order. Anomalous thermal expansion points to a crystallographic phase transition and/or strong magnetoelastic coupling. This work reveals a complex phase evolution in MnRhBi₃ and establishes this cleavable antiferromagnetic metal as an interesting material for studying the interplay of structure, magnetism, and transport in the bulk and ultrathin limits, as well as the role of lone pair electrons in interface chemistry and proximity effects in van der Waals heterostructures.. Authors: Clements, Eleanor M. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)]; Ovchinnikov, Dmitry [University of Kansas, Lawrence, KS (United States)] (ORCID:0000000289711639); Raghuvanshi, Parul R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000223254324); Cooper, Valentino R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000167144410); Okamoto, Satoshi [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000204937568). DOE Contract: AC05-00OR22725; SC0012509. Subjects: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY