DOE OSTI · 3010632
d -Electron Heavy Fermion Behavior in a Near-Room-Temperature Polar Metallic Ferrimagnet: A Case of Mn 5 SiC
Abstract
Polycrystalline Mn 5 SiC was synthesized by using a high-temperature solid-state method. Mn 5 SiC adopts a polar space group (Cmc2 1 ) 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’2 1 ) 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) μ B . 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.
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Messegee, Zachary T. [George Mason University, Fairfax, VA (United States)] (ORCID:000000019702580X), Garlea, Vasile Ovidiu [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000253227271), Mazin, Igor I. [George Mason University, Fairfax, VA (United States)] (ORCID:0000000194567099), Shin, Seung Han [Sogang University, Seoul (Korea, Republic of)], Xin, Yan [Florida State University, Tallahassee, FL (United States). National High Magnetic Field Laboratory (MagLab)], Bhandari, Hari [George Mason University, Fairfax, VA (United States); University of Notre Dame, IN (United States)], Calder, Stuart [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000184023741), Regmi, Resham Babu [University of Notre Dame, IN (United States)], Ghimire, Nirmal J. [George Mason University, Fairfax, VA (United States); University of Notre Dame, IN (United States)], Jang, Joon I. [Sogang University, Seoul (Korea, Republic of)] (ORCID:0000000216088321), Tan, Xiaoyan [George Mason University, Fairfax, VA (United States)] (ORCID:0000000217428252). 2025-06-25. d -Electron Heavy Fermion Behavior in a Near-Room-Temperature Polar Metallic Ferrimagnet: A Case of Mn 5 SiC. https://doi.org/10.1021/acs.chemmater.5c00868
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