Nonequilibrium Lattice Dynamics in Monolayer MoS2

Abstract

The coupled nonequilibrium dynamics of electrons and phonons in monolayer MoS2 is investigated by combining first-principles calculations of the electron-phonon and phonon-phonon interaction with the time-dependent Boltzmann equation. Strict phase-space constraints in the electron-phonon scattering are found to influence profoundly the decay path of excited electrons and holes, restricting the emission of phonons to crystal momenta close to few high-symmetry points in the Brillouin zone. As a result of momentum selectivity in the phonon emission, the nonequilibrium lattice dynamics is characterized by the emergence of a highly-anisotropic population of phonons in reciprocal space, which persists for up to 10 ps until thermal equilibrium is restored by phonon-phonon scattering. Achieving control of the nonequilibrium dynamics of the lattice may provide unexplored opportunities to selectively enhance the phonon population of two-dimensional crystals and, thereby, transiently tailor electron-phonon interactions over sub-picosecond time scales.

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• Efficient first-principles methodology for the calculation of the all-phonon inelastic scattering in solids
• Chirality of Valley Excitons in Monolayer Transition-Metal Dichalcogenides
• Vibrational dichroism of chiral valley phonons
• Quantum theory of light-driven coherent lattice dynamics
• Probing electron-phonon interactions away from the Fermi level with resonant inelastic x-ray scattering
• Revealing Ultrafast Phonon Mediated Inter-Valley Scattering through Transient Absorption and High Harmonic Spectroscopies
• Strain-induced activation of chiral-phonon emission in monolayer WS${}_2$
• Ab initio electron dynamics in high electric fields: accurate predictions of velocity-field curves
• Prediction of Hot Zone-center Optical Phonons in Laser Irradiated Molybdenum Disulfide with a Semiconductor Multitemperature Model
• Evolution of non-thermal phonon and electron populations in photo-excited germanium on picosecond timescales
• Momentum-Resolved Signatures of Carrier Screening Effects on Electron-Phonon Coupling in MoS${}_2$
• Ultrafast Phonon-Diffuse Scattering as a Tool for Observing Chiral Phonons in Monolayer Hexagonal Lattices
• Ultrafast electron dynamics in altermagnetic materials
• Dynamic screening of quasiparticles in WS${}_2$ monolayers
• Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics
• Advancing Simulations of Coupled Electron and Phonon Nonequilibrium Dynamics Using Adaptive and Multirate Time Integration
• Wannier-Function-Based Approach to Coupled Exciton-Phonon-Photon Dynamics in Two-Dimensional Semiconductors
• Local structural disorder in crystalline materials
• Element-specific ultrafast lattice dynamics in monolayer WSe2
• Overscreening-free electron-phonon interaction in realistic materials
• Ultrafast electron-phonon scattering in antiferromagnetic Dirac semimetals
• Properties and challenges of hot-phonon physics in metals: MgB${}_2$ and other compounds
• Excitonic effects in the photocarriers dynamics of two-dimensional materials