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Article Dans Une Revue 2D Materials Année : 2023

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Résumé

Abstract The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a complex, spin-textured and multi-valley electronic landscape. The relative positions of the valleys are critical, yet they are sensitive to external parameters and very difficult to determine directly. We propose a first-principles model as a function of valley positions to calculate carrier mobility and Kerr rotation angles, and apply it to MoS$_2$, WS$_2$, MoSe$_2$, and WSe$_2$. The model brings valuable insights, as well as quantitative predictions of macroscopic properties for a wide range of carrier density. The doping-dependant mobility displays a characteristic peak, the height depending on the position of the valleys. In parallel, the Kerr rotation signal is enhanced when same spin-valleys are aligned, and quenched when opposite spin-valleys are populated. We provide guidelines to optimize and correlate these quantities with respect to experimental parameters, as well as the theoretical support for \emph{in situ} characterization of the valley positions.
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Dates et versions

hal-03936372 , version 1 (10-10-2023)

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Thibault Sohier, Pedro de Melo, Zeila Zanolli, Matthieu Jean Verstraete. The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides. 2D Materials, 2023, 10 (2), ⟨10.1088/2053-1583/acb21c⟩. ⟨hal-03936372⟩
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