Berlin 2024 – scientific programme
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O: Fachverband Oberflächenphysik
O 29: Poster: 2D Materials
O 29.21: Poster
Tuesday, March 19, 2024, 12:30–14:30, Poster A
Modelling ARPES matrix elements in a 2D van-der-Waals ferromagnet — •Tania Mukherjee1,2, Lawson Lloyd2, Samuel Beaulieu3, Michael Schuler4, Jyoti Krishna5, Túlio de Castro2, Shuo Dong6, Victoria Taylor2, Yoav William Windsor1,2, Martin Wolf2, Laurenz Rettig2, Ralph Ernstorfer1,2, and Tommaso Pincelli1,2 — 1Technische Universität Berlin, Berlin, Germany — 2Fritz-Haber-Institute of the Max Planck Society — 3University of Bordeaux, France — 4PSI, Villigen, Switzerland — 5Freie Universität Berlin, Berlin, Germany — 6Beijing National Laboratory for Condensed Matter Physics, Beijing, China
Recent discoveries of 2D materials with intrinsic ferromagnetic ordering show great potential for new spintronics applications. Fe3GeTe2 is a van der Waals ferromagnet that is particularly promising for its high and electrically tunable curie temperature. We have recently observed using ARPES that both local magnetic moments and itinerant spin excitations play a cruicial role in describing the electronic ground state and the lowest energy excitations. In this work we performed first principle DFT calculations to verify our experimental discovery, with a special attention to creating a pipeline between the DFT results and the observed ARPES signal. This is enabled by wannierization of the DFT states, followed by the construction of a tight-binding model. We demonstrate that, including spin orbit coupling, our DFT bands show good agreement with the experimental ARPES bands.The further use of chinook [Day, R.P.,et al. npj Quantum Mater. 4, 54 (2019)] allows to compare calculations and experiments in the photoemission signal.
Keywords: Fe3GeTe2; two-dimensional materials; ferromagnetism; spin ordering; spintronics