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HL: Fachverband Halbleiterphysik

HL 13: 2D Materials III – Interlayer excitons

HL 13.6: Vortrag

Montag, 9. März 2026, 18:00–18:15, POT/0081

Spin-bright interlayer exciton and trion ground state in Janus transition metal dichalcogenide bilayers from first-principles — •Franz Fischer^1,2, Carl Emil Mørch Nielsen¹, Marta Prada¹, and Gabriel Bester¹ — ¹University of Hamburg, Institute of Physical Chemistry, 22761 Hamburg, Germany — ²Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg, Germany

We investigate bilayer Janus transition metal dichalcogenides using ab initio many-body screened configuration interaction calculations [1] and find that MoSSe–WSSe and WSSe–WSSe, with Se–S interfaces, exhibit spin-allowed interlayer exciton and trion ground states [2], in contrast to the spin-forbidden ground states of conventional transition metal dichalcogenides bilayers. This distinctive behavior is driven by the intrinsic structural asymmetry and interface-induced polarization, which significantly modify the electronic band structure. Moreover, we demonstrate that external mechanical strain allows to tune the optical properties of these excitons, enabling precise control over their brightness and potential applications in optoelectronic devices.

[1] Mørch Nielsen, C.E., Fischer, F. & Bester, G. npj 2D Mater. Appl. 9, 11 (2025)
[2] Mørch Nielsen, C.E., Fischer, F., Prada, M. & Bester, G. 2D Mater. 12 045015 (2025)

Keywords: Excitons; Trions; Janus; Transition Metal Dichalcogenides; Bilayers