Dresden 2026 – scientific programme
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MA: Fachverband Magnetismus
MA 58: Computational Magnetism II
MA 58.5: Talk
Friday, March 13, 2026, 10:30–10:45, POT/0151
Above-Room-Temperature Magnetism in the Fe3GeTe2 and Fe3GaTe2 monolayer — •Anjali Jyothi Bhasu1, Bendegúz Nyári1, László Oroszlány2, László Udvardi1, and László Szunyogh1 — 1Department of Theoretical Physics, Budapest University of Technology and Economics, Budafoki ut 8., HU-1111 Budapest, Hungary — 2Department of Physics of Complex Systems, Eötvös Loránd University, 1117 Budapest, Hungary
Room-temperature ferromagnetism that remains robust at the nanoscale is a key requirement for next-generation spintronic and information storage technologies. Using density-functional methods, we investigate monolayers of the van der Waals magnets Fe3GeTe2 and Fe3GaTe2, both of which exhibit magnetic ordering under ambient conditions. We compute the magnetic interaction parameters using the LKAG torque formalism as well as the spin-cluster expansion combined with the relativistic disordered local moment formalism. Special emphasis is placed on how these interactions vary with the Hubbard parameter U, which controls electron-electron correlations within the DFT+U framework. We then estimate the energetically favored magnetic structure by evaluating the Fourier transform of the tensorial coupling matrices. The order-disorder transition temperatures are obtained from large-scale Monte Carlo simulations, and we find that the simulated transition temperatures depend sensitively on the value of U.
Keywords: Room-temperature ferromagnetism; 2D van der Waals magnets; Fe₃GeTe₂ and Fe₃GaTe₂ monolayer; Magnetic interaction with varying U; DFT+U framework