Abstract
Polycrystalline Mn5SiC was synthesized by using a high-temperature solid-state method. Mn5SiC adopts a polar space group (Cmc21) with six crystallographic Mn sites confirmed by X-ray and neutron diffraction, transmission electron microscopy, and second harmonic generation experiments. The complex crystal structure features edge-sharing trigonal prisms and icosahedra, as well as face/edge-sharing pentagonal prisms. Magnetic measurements indicate ferrimagnetic ordering with a transition temperature of 284 K. The ferrimagnetic structure (magnetic space group Cm’c’21) was further identified by powder neutron diffraction, where collinear Mn spins align along the crystallographic c-axis. The refined magnetic moment for each crystallographic Mn site at 4 K is 1.8(2), −2.42(9), −1.72(8), 0.51(6), 0.50(4), and 1.7(2) μB. Density functional theory calculations confirm both the metallic behavior and the ferrimagnetic structure observed experimentally and further provide insight into the observed Mn moment dependence across crystallographic sites. The resistivity and specific heat measurements and density functional theory calculations reveal a substantially large Kadowaki-Woods ratio of 5 × 10-5 μΩ·cm/(mJ/mol)2 and a many-body renormalization factor of 5.5, indicating the unusual heavy Fermion behavior in such an itinerant magnetic metal.
| Original language | English |
|---|---|
| Pages (from-to) | 4832-4843 |
| Number of pages | 12 |
| Journal | Chemistry of Materials |
| Volume | 37 |
| Issue number | 13 |
| DOIs | |
| State | Published - Jul 8 2025 |
Funding
Z. T. M. and X. T. were supported by start-up funding from George Mason University. J. I. J. acknowledges support from the Basic Science Research Programs (2021R1A2C2013625) and Basic Research Laboratory Program (2022R1A4A1033562) through the National Research Foundation of Korea (NRF), funded by the Korean government. N. J. G., H. B., and R. R. acknowledge the support from the National Science Foundation CAREER award No. DMR-2343536. This work used resources at the High Flux Isotope Reactor, DOE Office of Science Facilities, operated by the Oak Ridge National Laboratory. The beam time was allocated to HB-2A (POWDER) on proposal number IPTS-31379.1. TEM work was performed at the National High Magnetic Field Laboratory, which is supported by the National Science Foundation Cooperative Agreement No. DMR-1644779, DMR-2128556, and the State of Florida. I. I. M. was supported by the National Science Foundation award No. DMR-2403804. We thank Dr. David Walker (Columbia University) for pressing the dense pellet under high pressure.