Time-dependent density functional theory for strong electromagnetic fields in crystalline solids
arXiv:1112.2291 · doi:10.1103/PhysRevB.85.045134
Abstract
We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in the response. At the lowest intensities, the pulse is reflected and transmitted in accord with the dielectric response, and the characteristics of the energy deposition is consistent with two-photon absorption. The absorption process begins to deviate from that at laser intensities ~ 10^13 W/cm^2, where the energy deposited is of the order of 1 eV per atom. Changes in the reflectivity are seen as a function of intensity. When it passes a threshold of about 3 \times 1012 W/cm2, there is a small decrease. At higher intensities, above 2 \times 10^13 W/cm^2, the reflectivity increases strongly. This behavior can be understood qualitatively in a model treating the excited electron-hole pairs as a plasma.
27 pages; 11 figures
Cited by in corpus (96)
- Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
- Strong-field Phenomena in Periodic Systems
- Time-dependent density-functional description of nuclear dynamics
- Ab-initio multi-scale simulation of high-harmonic generation in solids
- Direct and Simultaneous Observation of Ultrafast Electron and Hole Dynamics in Germanium
- SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
- Introduction to theory of high-harmonic generation in solids: tutorial
- Light-Matter Response in Non-Relativistic Quantum Electrodynamics: Quantum Modifications of Maxwell's Equations
- Trajectory analysis of high-harmonic generation from periodic crystals
- Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials
- A brief compendium of time-dependent density-functional theory
- Real-time solutions of coupled Ehrenfest-Maxwell-Pauli-Kohn-Sham equations: fundamentals, implementation, and nano-optical applications
- Ultrafast charge ordering by self-amplified exciton-phonon dynamics in TiSe
- Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
- Electron rescattering at metal nanotips induced by ultrashort laser pulses
- Dielectric response of laser-excited silicon
- Origin of strong-field induced low-order harmonic generation in amorphous solids
- Metal nanofilm in strong ultrafast optical fields
- Femtosecond time-resolved dynamical Franz-Keldysh effect
- Time-dependent density functional theory for interaction of ultrashort light pulse with thin materials
- Time-dependent density functional theory of high-intensity, short-pulse laser irradiation on insulators
- Direct calculation of exciton binding energies with time-dependent density-functional theory
- High-harmonic generation in alpha-quartz by the electron-hole recombination
- Density Functional Theory for Electronic Excited States
- Dielectric response of laser-excited silicon at finite electron temperature
- Real-time exciton dynamics with time-dependent density-functional theory
- Time-dependent density functional theory for a unified description of ultrafast dynamics: pulsed light, electrons, and atoms in crystalline solids
- Theory of strong-field injection and control of photocurrent in dielectrics and wide bandgap semiconductors
- Non equilibrium optical properties in semiconductors from first--principles: a combined theoretical and experimental study of bulk silicon
- Some Exact Properties of the Nonequilibrium Response Function for Transient Photoabsorption
- Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory
- Exact time-dependent exchange-correlation potential in electron scattering processes
- Simulating terahertz field-induced ferroelectricity in quantum paraelectric SrTiO
- Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory
- Optical properties of periodic systems within the current-current response framework: pitfalls and remedies
- Determining the optimum thickness for high harmonic generation from nanoscale thin films: an ab initio computational study
- Nonadiabatic generation of coherent phonons
- Machine Learning Exchange-Correlation Potential in Time Dependent Density Functional Theory
- Propagation of maximally localized Wannier functions in real-time TDDFT
- First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse
- A minimal model for excitons within time-dependent density-functional theory
- First-principles study of ultrafast and nonlinear optical properties of graphite thin films
- Strong field induced electron density tide in high harmonic generation from solids
- Momentum-resolved TDDFT algorithm in atomic basis for real time tracking of electronic excitation
- Nonlinear polarization evolution using time-dependent density functional theory
- Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
- Plasmonic modes of polygonal particles calculated using a quantum hydrodynamics method
- Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory
- Exact functionals for correlated electron-photon systems
- A theoretical approach for electron dynamics and ultrafast spectroscopy
- Time-dependent extension of the self-consistent band theory for neutron star matter: Anti-entrainment effects in the slab phase
- All-electron full-potential implementation of real-time TDDFT in exciting
- Controlling ultrafast currents by the non-linear photogalvanic effect
- Density-functional theory for internal magnetic fields
- Effect of exchange-correlation spin-torque on spin dynamics
- Efficient parallel strategy for molecular plasmonics -- a numerical tool for integrating Maxwell-Schrodinger equations in three dimensions
- Wavelength-dependence of laser excitation process on silicon surface
- Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids
- Ultrafast energy absorption and photoexcitation of bulk plasmon in crystalline silicon subjected to intense near-infrared ultrashort laser pulses
- Photoionization and transient Wannier-Stark ladder in silicon: First principle simulations versus Keldysh theory
- A Snapshot of Time-Dependent Density-Functional Theory
- Adiabatic corrections for velocity-gauge simulations of electron dynamics in periodic potentials
- Propagation effects in high-harmonic generation from dielectric thin films
- Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems
- Gauge Invariance beyond the Electric Dipole Approximation
- Superfluid extension of the self-consistent time-dependent band theory for neutron star matter: Anti-entrainment versus superfluid effects in the slab phase
- Nonlinear dynamics of electromagnetic field and valley polarization in WSe monolayer
- Engineering and Manipulating Exciton Wave Packets
- Absence of Dynamical Steps in the Exact Correlation Potential in Linear Response
- Semi-classical description of electron dynamics in extended systems under intense laser fields
- Strong-field control of plasmonic properties in core-shell nanoparticles
- Optical forces, torques and force densities calculated at a microscopic level using a self-consistent hydrodynamics method
- Time-Dependent Multi-Component Density Functional Theory for Coupled Electron-Positron Dynamics
- Attosecond state-resolved carrier motion in quantum materials probed by soft X-ray XANES
- An eigenvalue approach to quantum plasmonics based on a self-consistent hydrodynamics method
- A Lorenz gauge formulation for TDDFT
- Ensemble properties of charge carriers injected by an ultrashort laser pulse
- Kohn-Sham-Proca equations for ultrafast exciton dynamics
- Saturable absorption in highly excited silicon and its suppression at the surface
- Modulation of probe signal in coherent phonon detection revisited: Analytical and first-principles computational analyses
- Ultrafast laser micro-nano structuring of transparent materials with high aspect ratio
- Beyond Electric-Dipole Treatment of Light-Matter Interactions in Materials: Nondipole Harmonic Generation in Bulk Si
- Identification and Resolution of Unphysical Multielectron Excitations in the Real-Time Time-Dependent Kohn-Sham Formulation
- Ab initio insights on the ultrafast strong-field dynamics of anatase TiO
- Effect of plasma formation on the double pulse laser excitation of cubic silicon carbide
- First-principles approach to ultrafast pump-probe spectroscopy in solids
- INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory
- First-principles method for nonlinear light propagation at oblique incidence
- Multiscale Approach and The Convergence for the time-dependent Maxwell-Schrödinger System in Heterogeneous Nanostructures
- Nonadiabatic time-dependent density-functional theory at the cost of adiabatic local density approximation
- Non-linear response in extended systems: a real-time approach
- Many Electrons and the Photon Field -- The many-body structure of nonrelativistic quantum electrodynamics
- Theoretical study of high harmonic generation in monolayer NbSe
- Tangent equations of motion for nonlinear response functions
- Maxwell-Vlasov-Uehling-Uhlenbeck (VUU) Simulation for Coupled Laser-Electron Dynamics in a Metal Irradiated by Ultrashort Intense Laser Pulses
- Electron excitation rate in dielectrics under an intense elliptically polarized laser field