Regensburg 2025 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 55: Poster Topology and Symmetry-protected Materials
O 55.2: Poster
Dienstag, 18. März 2025, 18:00–20:00, P2
Exploring magnetism, topology, and magnetoresistance in rare-earth based compound GdAuSn: Ab initio study — •Sumit Mondal1, Japsreet Singh2, and Kanachana Venkatakrishnan2 — 1Central University of Haryana — 2Indian Institute of Technology, Hyderabad
Among rare-earth intermetallics, Gd-based compounds have garnered particular interest due to their diverse magnetic ground states and interesting non-trivial topological properties. In the present work, we investigate the magnetic, electronic, and dynamical properties of the equiatomic ternary compound GdAuSn using first-principles calculations. We explore its crystal structure and analyse various magnetic configurations to determine the ground state. Our results indicate that the C-type antiferromagnetic configuration has the lowest energy. By correlating the spin configurations with the underlying Heisenberg spin model, we determine the exchange interactions and calculate the critical tempera- ture using the mean-field approximation. Additionally, we examine the electronic band structure and find evidences of nodal surface and Dirac points, indicative of non-trivial topology. Furthermore, we analyse the longitudinal and transverse magnetoresistance behaviour of GdAuSn under varying magnetic fields, observing intriguing trends that suggest a correlation between magnetic field strength and magnetoresistance. Finally, we assess the phonon dispersion of our compound and find the topological phononic states with nodal surfaces. Our findings shed light on the magnetism, topology, and transport properties in rare-earth-based intermetallic compound.
Keywords: Rare earth intermetallic; topological properties; first principle calculations; antiferromagnetism; magnetoresistance