Published December 22, 2022 | Version v1
Dataset Open

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

  • 1. Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, Montpellier, France
  • 2. Chemistry Department, Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, Utrecht University, PO Box 80.000, 3508 TA Utrecht, The Netherlands
  • 3. nanomat/Q-mat/CESAM and Department of Physics, Université de Liège, B-4000 Sart Tilman, Liège, Belgium

* Contact person

Description

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 MoS₂, WS₂, MoSe₂, and WSe₂. 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 in situ characterization of the valley positions. The dataset contains the necessary data, a jupyter notebook, a supporting python library, and a small app with a simple user interface to reproduce the results.

Files

File preview

files_description.md

All files

Files (61.0 MiB)

Name Size
md5:2fd5eab9b816ed15c6f7802f5780b970
447 Bytes Preview Download
md5:db73ee960b73dc377d9400abff741ea2
61.0 MiB Preview Download

References

Preprint (Preprint for the corresponding manuscript)
T. Sohier, P.M.M.C. de Melo, Z. Zanolli, M.J. Verstraete, arXiv:2207.00452 (2022), doi: 10.48550/arXiv.2207.00452

Journal reference (Paper describing the method and the results)
T. Sohier, P. M. M. C. De Melo, Z. Zanolli, and M. J. Verstraete, The Impact of Valley Profile on the Mobility and Kerr Rotation of Transition Metal Dichalcogenides, 2D Mater. 10, 025006 (2023)., doi: 10.1088/2053-1583/acb21c

Journal reference (Paper describing the method and the results)
T. Sohier, P. M. M. C. De Melo, Z. Zanolli, and M. J. Verstraete, The Impact of Valley Profile on the Mobility and Kerr Rotation of Transition Metal Dichalcogenides, 2D Mater. 10, 025006 (2023).