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HL: Fachverband Halbleiterphysik

HL 62: 2D Semiconductors and van der Waals Heterostructures VII

HL 62.5: Vortrag

Freitag, 21. März 2025, 12:45–13:00, H15

Composition- and strain-dependent quantum dot states in transition metal dichalcogenide nanobubbles — •Stefan Velja, Jannis Krumland, and Caterina Cocchi — Carl von Ossietzky Universität Oldenburg

Mechanical deformations in transition metal dichalcogenide monolayers can appear both spontaneously and artificially, giving rise to peculiar nanostructures, such as nanobubbles, or nanowrinkles. These systems have been observed to harbor localized states in the gap region, a known prerequisite for single-photon emission. While recent theoretical studies have attempted to explain these phenomena on selected systems [1,2], a detailed analysis concomitantly examining the role of the chemical constituents and the amount of applied strain is essential to gain full insight. In this work, we investigate the electronic properties of MX₂ nanobubbles (M=Mo, W and X=S, Se) characterized by varying levels of local strain. For materials composed of lighter elements, localized states appear in the gap region when the deforming force reaches the order of 0.01 a.u./atom. A thorough analysis of these states sets the stage for predicting and interpreting the optical fingerprints of these nanostructures.

[1] Krumland et al., ACS Photonics 11, 586 (2024)

[2] Velja et al., Nanoscale 16, 7134 (2024)

Keywords: TMDC; Nanobubbles; DFT