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HL: Fachverband Halbleiterphysik
HL 10: Spin-Dependent Phenomena in 2D (joint session MA/HL)
HL 10.2: Vortrag
Montag, 17. März 2025, 15:15–15:30, H19
Ab-initio Investigation of two-dimensional Fe-Sn Kagome lattice with Nb doping — •Gérald Kämmerer1,2 and Sinéad Griffin2 — 1Faculty of Physics, University of Duisburg-Essen — 2Lawrence Berkeley National Laboratory (LBNL), Berkeley
This research investigates Fe-Sn-based kagome compounds for green energy applications, focusing on their magnetic and electronic properties, particularly in spintronics and phononics. We are investigating tunable properties in Fe3Sn. We aim to control spin states in 2D magnetic systems by studying doped variants (Nb) in Kagome lattices to uncover topological electronic states, including Dirac fermions and flat bands.
Using first-principles calculations, we analyse impurity interactions in 2D lattices using VASP. By comparing experimental data with our computational results, this study aims to provide insights into dopant-controlled quantum states and improve material performance in electronic applications.
The financial support of the DFG within the SFB 1242 and the computational time on the LBNL supercomputer system are gratefully acknowledged.
Keywords: DFT, Fe3Sn, FeSn, flat bands