First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
arXiv:1802.08619 · doi:10.1140/epjb/e2018-90108-7
Abstract
We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal footing. To examine the performance of the method, we use it to compute the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) experiments of gas-phase Argon. The computed RABBITT photoionization delay is in very good agreement with recent experimental results from [Klünder et al, Phys. Rev. Lett. 106 143002 (2011)] and [Guénot et al, Phys. Rev. A 85 053424 (2012)]. This indicates the significance of a fully-consistent theoretical treatment of the whole measurement process to properly describe experimental observables in attosecond photoelectron spectroscopy. The present framework opens the path to unravel the microscopic processes underlying RABBITT spectra in more complex materials and nanostructures.
References in corpus (22)
- Relativistic separable dual-space Gaussian Pseudopotentials from H to Rn
- Probing single-photon ionization on the attosecond time scale
- Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
- Impact of the electronic band structure in high-harmonic generation spectra of solids
- Photoionization in the time and frequency domain
- Theory of attosecond delays in laser-assisted photoionization
- Ab-initio multi-scale simulation of high-harmonic generation in solids
- Direct and Simultaneous Observation of Ultrafast Electron and Hole Dynamics in Germanium
- Photo-electron momentum spectra from minimal volumes: the time-dependent surface flux method
- Phonon-derived ultrafast relaxation of spin-valley polarized states in MoS_{2}
- Theory of attosecond transient absorption spectroscopy of strong-field-generated ions
- Energy-dependent photoemission delays from noble metal surfaces by attosecond interferometry
- Time delay between photoemission from the 2p and 2s subshells of Neon
- Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
- Time delays for attosecond streaking in photoionization of neon
- Modeling electron dynamics coupled to continuum states in finite volumes
- Diagrammatic approach to attosecond delays in photoionization
- A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
- Time-dependent density functional theory of high-intensity, short-pulse laser irradiation on insulators
- Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
- Time-Dependent Density-Functional Theory of Strong-Field Ionization of Atoms under Soft X-Rays
- Attosecond time delay in valence photoionization and photorecombination of argon: a TDLDA study
Cited by in corpus (8)
- Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
- Attosecond photoionization dynamics in the vicinity of the Cooper minima in argon
- Many-body calculations of two-photon, two color matrix elements for attosecond delays
- Strong chiral dichroism in above threshold ionization and ionization rates from locally-chiral light
- Propensity rules and interference effects in laser-assisted photoionization of helium and neon
- Many-electron effects of strong-field ionization described in an exact one-electron theory
- First-principles modelling for time-resolved ARPES under different pump-probe conditions
- Eliminating artificial boundary conditions in time-dependent density functional theory using Fourier contour deformation