Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 22: 2D Materials II: Electronic Structure (joint session O/TT)

O 22.4: Vortrag

Dienstag, 19. März 2024, 11:30–11:45, MA 005

Evolution of band structure in 2D Transition Metal Dichalcogenide alloy Mo_xW_1−xSe₂ — •Sarath Sasi¹, Laurent Nicolaï¹, Aki Pulkkinen¹, Christine Richter^2,3, Karol Hricovini^2,3, and Ján Minár¹ — ¹New Technologies Research Centre, University of West Bohemia, Pilsen, Czech Republic — ²LPMS, CY Cergy Paris Université, Neuvillesur- Oise, France — ³Université Paris-Saclay, CEA, CNRS, LIDYL, Gif-sur-Yvette, France

In the realm of two-dimensional (2D) materials research, transition metal dichalcogenides (TMDCs) have emerged as significant subjects, especially WSe₂ and MoSe₂, which are notable for their similar band structures. Our research aims to explore the band structure evolution in Mo_xW_1−xSe₂ alloys (x= 0 to 1) utilizing a blend of Angle-Resolved Photoemission Spectroscopy (ARPES) experimentally and its complementary theoretical one-step model photoemission calculations employing the SPR-KKR package [1]. Furthermore, circular dichroism [2] ARPES measurements provide an insight into the orbital characteristics, revealing Mo concentration-dependent effects that are substantiated through photoemission calculations using the coherent potential approximation(CPA). For homogeneous random alloys, CPA effectively models average scattering properties and, within the KKR formalism, ensures no extra scattering when embedding an alloy component. Studying these systems with inherent disorders uncovers fundamental insights, enhancing their potential applications.

[1]Braun, J., Minar, J., Ebert, H. (2018). Physics Reports, 740.

[2]Beaulieu, S. et al . (2020). Physical Review Letters, 125(21).

Keywords: 2D materials; ARPES; Electronic structure; TMDC; Spectroscopy