Ref HAL: hal-03936372_v1
Ref Arxiv: 2207.00452
DOI: 10.1088/2053-1583/acb21c
Ref. & Cit.: NASA ADS
Exporter : BibTex | endNote
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.