%0 Journal Article %T The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides %+ Laboratoire Charles Coulomb (L2C) %+ Universiteit Utrecht / Utrecht University [Utrecht] %+ Université de Liège %A Sohier, Thibault %A de Melo, Pedro %A Zanolli, Zeila %A Verstraete, Matthieu Jean %< avec comité de lecture %@ 2053-1583 %J 2D Materials %I IOP Publishing %V 10 %N 2 %8 2023-01-11 %D 2023 %Z 2207.00452 %R 10.1088/2053-1583/acb21c %Z Physics [physics]/Condensed Matter [cond-mat]Journal articles %X 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. %G English %2 https://hal.science/hal-03936372/document %2 https://hal.science/hal-03936372/file/2207.00452.pdf %L hal-03936372 %U https://hal.science/hal-03936372 %~ CNRS %~ L2C %~ UNIV-MONTPELLIER %~ UM-2015-2021 %~ UM-EPE