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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 5: 2D Materials I (joint session HL/CPP)

CPP 5.1: Talk

Monday, March 27, 2023, 09:30–09:45, POT 81

Spin-valley physics in strained transition metal dichalcogenides monolayers — •Paulo E. Faria Junior1, Klaus Zollner1, Tomasz Woźniak2, Marcin Kurpas3, Martin Gmitra4, and Jaroslav Fabian11University of Regensburg, Regensburg, Germany — 2Wroclaw University of Science and Technology, Wroclaw, Poland — 3University of Silesia, Chorzów, Poland — 4Pavol Jozef Šafárik University in Košice, Košice, Slovakia

Transition metal dichalcogenides (TMDCs) are ideal candidates to explore the manifestation of spin-valley physics under external stimuli. Here, we investigate the influence of strain on the spin, orbital angular momenta and g-factors of monolayer TMDCs within first principles[1]. Our calculations reveal the behavior of direct exciton g-factors under the isolated impact of strain: tensile (compressive) strain increases (decreases) the absolute value of g-factors. Strain variations of 1% modify the bright (A and B) exciton g-factors by 0.3 (0.2) for W (Mo) based compounds and the dark exciton g-factors by 0.5 (0.3) for W (Mo) compounds, suggesting that strain can be responsible for g-factor fluctuations observed experimentally. We complete our analysis for the Gamma and Q valleys, revealing that the spin degree of freedom dominates. This fundamental microscopic insight into the role of strain in the spin-valley physics of TMDCs is crucial to understand recent experiments[2,3]. [1] Faria Junior et al., NJP 24, 083004 (2022). [2] Covre, Faria Junior et al., Nanoscale 14, 5758 (2022). [3] Blundo, Faria Junior et al., PRL 129, 067402 (2022). Funding: DFG SFB 1277, SPP 2244.

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