Local interpretation of time-resolved X-ray absorption in Mott insulators: Insights from nonequilibrium dynamical mean-field theory
arXiv:2204.06762 · doi:10.1103/PhysRevB.106.165106
Abstract
We present a formalism based on nonequilibrium dynamical mean field theory (DMFT) which allows to compute the time-resolved X-ray absorption spectrum (XAS) of photo-excited solids. By applying this formalism to the photo-doped half-filled and quarter-filled two-orbital Hubbard models in the Mott insulating regime we clarify how the time-resolved XAS signal reflects the nonequilibrium population of different local states. Apart from the missing broadening associated with continuum excitations, the atomic XAS spectrum computed with the nonthermal state populations provides a good approximation to the full nonequilibrium DMFT result. This suggest a route to combine the accurate DMFT description of nonequilibrum states of solids with cluster calculations of the XAS signal.
References in corpus (32)
- Nonequilibrium dynamical mean-field theory and its applications
- Nonthermal pathways to ultrafast control in quantum materials
- Ultrafast optical spectroscopy of strongly correlated materials and high-temperature superconductors: a non-equilibrium approach
- Multiplet ligand-field theory using Wannier orbitals
- Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
- Instantaneous band gap collapse in photoexcited monoclinic VO due to photocarrier doping
- Nonequilibrium dynamical mean-field calculations based on the non-crossing approximation and its generalizations
- Ultrafast modification of Hubbard in a strongly correlated material: ab initio high-harmonic generation in NiO
- Thermalization of a pump-excited Mott insulator
- Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean field theory
- Ultrafast doublon dynamics in photo-excited 1T-TaS
- NESSi: The Non-Equilibrium Systems Simulation package
- Magnetic versus crystal field linear dichroism in NiO thin films
- Probing light-driven quantum materials with ultrafast resonant inelastic X-ray scattering
- LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
- Ultrafast renormalization of the onsite Coulomb repulsion in a cuprate superconductor
- Theory for Time-Resolved Resonant Inelastic X-ray Scattering
- Ultrafast coupled charge and spin dynamics in strongly correlated NiO
- Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-ray Scattering
- Theory of -edge spectroscopy of strongly correlated systems
- Dynamics of photo-doped charge transfer insulators
- Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
- Signatures of bosonic excitations in high-harmonic spectra of Mott insulators
- Theory of Core-Level Photoemission and the X-ray Edge Singularity Across the Mott Transition
- Hund's coupling driven photo-carrier relaxation in the two-band Mott insulator
- Time-Resolved Resonant Inelastic X-Ray Scattering in a Pumped Mott Insulator
- Hund excitations and the efficiency of Mott solar cells
- Simulation of time-dependent resonant inelastic X-ray scattering using non-equilibrium dynamical mean-field theory
- Photoinduced Hund excitons in the breakdown of a two-orbital Mott insulator
- Vibrational coherent control of localized d-d electronic excitation
- Nonequilibrium RIXS study of an electron-phonon model
- Revealing Hund's multiplets in Mott insulators under strong electric fields
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- Photo-induced nonequilibrium states in Mott insulators
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- Measuring the ultrafast screening of in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
- Time-resolved photoemission and RIXS study of a site-selective Mott insulator