Berlin 2024 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 16: 2D Materials I: Electronic Structure (joint session O/TT)
TT 16.9: Vortrag
Montag, 18. März 2024, 17:00–17:15, MA 005
Exchange splitting in the electronic structure of quasi-2D antiferromagnet CrSBr — •Matthew D. Watson1, James Nunn1,2, Swagata Acharya3, Laxman Naga-Reddy2, Dimitar Pashov4, Malte Rösner5, Mark van Schilfgaarde3, Neil R. Wilson2, and Cephise Cacho1 — 1Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK — 2Department of Physics, University of Warwick, Coventry, CV4 7AL, UK — 3National Renewable Energy Laboratory, Golden 80401 CO, USA — 4Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R2LS, UK — 5Institute for Molecules and Materials, Radboud University, Heijendaalseweg 135, 6525AJ Nijmegen, The Netherlands
We present the evolution of the electronic structure of CrSBr from it’s antiferromagnetic ground state to the paramagnetic phase above TN = 132 K, in both experiment and theory. The ground state angle-resolved photoemission spectroscopy (ARPES) results, obtained using a novel method to overcome sample charging issues, are very well reproduced by our QSGW calculations including Bethe-Salpeter Equations (BSE) self-consistently. By tracing band positions as a function of temperature, we identify certain bands at the X points to be exchange-split pairs of states with mainly Br and S character, with the splitting disappearing above TN. Our results lay firm foundations for the interpretation of the many other intriguing physical and optical properties of CrSBr.
Keywords: ARPES; CrSBr; 2D; magnetism; QSGW