Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 19: 2D Materials II: Electronic Structure, Excitations, etc. (joint session O/CPP/HL)
O 19.10: Talk
Monday, March 16, 2020, 17:30–17:45, WIL C107
Electronic and optical properties of two-dimensional magnets (CrI3) and their effects on adjacent material (WSe2/CrI3) — •Marie-Christin Heißenbüttel, Michael Rohlfing, and Peter Krüger — Institut für Festkörpertheorie WWU, Münster, Deutschland
For the development of novel opto-electronic devices the access and manipulation of the spin degree of freedom is of fundamental importance. The recently discovered 2D magnets provide a great opportunity to study the delicate interplay of spin, orbital, charge and lattice degree of freedom and the manipulation of other non-magnetic 2D materials, as for example TMDCs, by proximity effects. In this talk I will demonstrate our results from ab-initio calculations for the magnetic monolayer of chromium triiodide (CrI3). The electronic and optical properties are analyzed as well as the effects of magnetism on the optics of WSe2 within the heterobilayer tungsten diselenide (WSe2) on CrI3 are shown. The investigation of CrI3 by many body perturbation theory (MBPT) within the LDA+GdW approximation reveals a ferromagnetic and insulating behavior and the optical absorption obtained from the solution of the BSE shows large exciton binding energies up to 1.04 eV. Furthermore due to the impact of ferromagnetic proximity effects on the TMDC WSe2 in the heterosystem WSe2 / CrI3 a lifting of the energy degeneracy in the K-valleys of WSe2 is found. Both the electronic band gap at ±K as well as the corresponding excitons in WSe2 are affected.