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HL: Fachverband Halbleiterphysik

HL 22: 2D Materials: Electronic Structure and Exitations I (joint session O/HL/TT)

HL 22.3: Vortrag

Dienstag, 18. März 2025, 11:00–11:15, H8

Disorder effects in the Band Structure of Transition Metal Dichalcogenide alloys A_xB_1−xSe₂ (A, B= Cr, Mo, W) — •Sarath Sasi¹, Aki Pulkkinen¹, Laurent Nicolaï¹, Raphaël Salazar¹, 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, Neuville-sur-Oise, France — ³Université Paris-Saclay, CEA, CNRS, LIDYL, Gif-sur-Yvette, France

Recent advances in materials synthesis have enabled the creation of 2D TMDC alloys, which offer unique opportunities for tailoring electronic and optoelectronic properties to meet diverse application demands.[1].This study investigates the band structure evolution of A_xB_1−xSe₂ alloys (A, B = Cr, Mo, W) across varying composition fractions (x). Using the Coherent Potential Approximation (CPA)[2], which accurately models scattering in disordered systems, theoretical calculations were performed with the SPR-KKR package[3]. Results reveal that some of the TMDC alloys maintain their band structures without significant disorder effects. Angle-Resolved Photoemission Spectroscopy (ARPES) measurements align closely with one-step model photoemission calculations, confirming theoretical predictions. These insights provide a foundation for tailoring electronic properties, advancing their applicability in next-generation devices.

[1] Zhou, J., Lin, J., Huang, X., et al. Nature, 556, 355-359 (2018).

[2] Soven, P., Phys. Rev., 156, 809(1967).

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

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