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

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-principle model as a function valley positions to calculate carrier mobility and Kerr rotation angles. 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. 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 these quantities with respect to experimental parameters, as well as the theoretical support for \emph{in situ} characterization of the valley positions.

24 pages, 11 figures

References in corpus (23)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• The Valley Hall Effect in MoS2 Transistors
• Symmetry-dependent phonon renormalization in monolayer MoS2 transistor
• k.p theory for two-dimensional transition metal dichalcogenide semiconductors
• Electrical Transport Properties of Single-Layer WS2
• Many-body perturbation theory calculations using the yambo code
• Quantitative Determination of the Band-Gap of WS2 with Ambipolar Ionic Liquid-Gated Transistors
• Controlling many-body states by the electric-field effect in a two-dimensional material
• Intrinsic Transport Properties of Electrons and Holes in Monolayer Transition Metal Dichalcogenides
• Strain-Enhanced Mobility of Monolayer MoS2
• Electronic Structure of Epitaxial Single-Layer MoS${}_2$
• First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity
• Electrostatically Induced Superconductivity at the Surface of WS${}_2$
• Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility
• Ab initio calculations of ultra-short carrier dynamics in 2D materials: valley depolarization in single-layer WSe${}_2$
• Charge transport in ion-gated mono-, bi-, and trilayer MoS2 field effect transistors
• Ionic Gate Spectroscopy of 2D Semiconductors
• Phonon-limited Mobility of 2D Semiconductors: Quadrupole Scattering and Free-carrier Screening
• Remote free-carrier screening to boost the mobility of Fröhlich-limited 2D semiconductors
• Emergence of large non-adiabatic effects induced by the electron-phonon interaction on the complex vibrational quasi-particle spectrum of the doped monolayer MoS${}_2$
• Profiling novel high-conductivity 2D semiconductors
• Strong band-filling-dependence of the scattering lifetime in gated MoS2 nanolayers induced by the opening of intervalley scattering channels

Cited by in corpus (5)

• Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides
• High-throughput screening of 2D materials identifies p-type monolayer WS${}_2$ as potential ultra-high mobility semiconductor
• Excitonic response in TMD heterostructures from first-principles: impact of stacking, twisting, and interlayer distance
• Strain-induced activation of chiral-phonon emission in monolayer WS${}_2$
• Roadmap on Quantum Magnetic Materials