Ion Impact Induced Ultrafast Electron Dynamics in Correlated Materials and Finite Graphene Clusters

Abstract

Strongly correlated systems of fermions have an interesting phase diagram arising from the Hubbard gap. Excitation across the gap leads to the formation of doubly occupied lattice sites (doublons). This state offers interesting electronic and optical properties. Moreover, when the system is driven out of equilibrium interesting collective dynamics may arise that are related to the spatial propagation of doublons. Here, a novel mechanism that was recently proposed by us [Balzer \textit{et al.}, submitted for publication] is verified by exact diagonalization and nonequilibrium Green functions (NEGF) simulations---fermionic doublon creation by the impact of energetic ions. We report the formation of a nonequilibrium steady state with homogeneous doublon distribution. A physically intuitive picture is given in terms of an analytical model for a two-site system where the doublon formation is explained in terms of a two-fold passage of an avoided crossing (Landau-Zener picture). The effect should be particularly important for strongly correlated finite systems, such as graphene nanoribbons, and directly observable with fermionic atoms in optical lattices. We demonstrate that doublon formation and propagation in correlated lattice systems can be accurately simulated with NEGF. In addition to two-time results we present single-time results within the generalized Kadanoff-Baym ansatz (GKBA) with Hartree-Fock propagators (HF-GKBA), and we present systematic improvements that use correlated propagators (correlated GKBA).

References in corpus (32)

• Energy Band Gap Engineering of Graphene Nanoribbons
• Energy Gaps in Graphene Nanoribbons
• Yambo: an \textit{ab initio} tool for excited state calculations
• Facile Synthesis of High Quality Graphene Nanoribbons
• Giant edge state splitting at atomically precise zigzag edges
• Generalized Gibbs ensemble prediction of prethermalization plateaus and their relation to nonthermal steady states in integrable systems
• The Uniform Electron Gas at Warm Dense Matter Conditions
• Kadanoff-Baym approach to quantum transport through interacting nanoscale systems: From the transient to the steady-state regime
• Polarons in semiconductor quantum-dots and their role in the quantum kinetics of carrier relaxation
• Tracking primary thermalization events in graphene with photoemission at extreme timescales
• Electronic Band Dispersion of Graphene Nanoribbons via Fourier-Transformed Scanning Tunneling Spectroscopy
• Nonequilibrium dynamics in the one-dimensional Fermi-Hubbard model: A comparison of the nonequilibrium Green functions approach and the density matrix renormalization group method
• Hubbard nanoclusters far from equilibrium
• Harmonics generation in electron-ion collisions in a short laser pulse
• Ab initio transport results for strongly correlated fermions
• Quantum Kinetic Theory for Laser Plasmas. Dynamical Screening in Strong Fields
• Kadanoff-Baym equations and non-Markovian Boltzmann equation in generalized T-matrix approximation
• Measuring correlated electron dynamics with time-resolved photoemission spectroscopy
• Scattering of a proton with the Li4 cluster: non-adiabatic molecular dynamics description based on time-dependent density-functional theory
• Non-equilibrium Green's function approach to inhomogeneous quantum many-body systems using the Generalized Kadanoff Baym Ansatz
• Stopping dynamics of ions passing through correlated honeycomb clusters
• The Generalized Kadanoff-Baym Ansatz with Initial Correlations
• Doublon formation by ions impacting a strongly correlated finite lattice system
• The generalized Kadanoff-Baym ansatz. Computing nonlinear response properties of finite systems
• Few-particle quantum dynamics---comparing Nonequilibrium Green's functions with the generalized Kadanoff-Baym ansatz to density operator theory
• Dynamics of Hubbard nano-clusters following strong excitation
• Many-body theory of the neutralization of strontium ions on gold surfaces
• Time Reversal Invariance of quantum kinetic equations II: Density operator formalism
• Comment on "On the unphysical solutions of the Kadanoff--Baym equations in linear response: Correlation-induced homogeneous density-distribution and attractors"
• Time Reversal Invariance of quantum kinetic equations: Nonequilibrium Green Functions Formalism
• Doublon production rate in modulated optical lattices
• Nonequilibrium Green's function approach to the pair distribution function of quantum many-body systems out of equilibrium

Cited by in corpus (15)

• Ab initio simulation of warm dense matter
• Achieving the Ultimate Scaling Limit for Nonequilibrium Green Functions Simulations
• The G1--G2 Scheme: Dramatic Acceleration of Nonequilibrium Green Functions Simulations Within the Hartree--Fock-GKBA
• Towards an integrated modeling of the plasma-solid interface
• Ultrafast Dynamics of Strongly Correlated Fermions -- Nonequilibrium Green Functions and Selfenergy Approximations
• Comparing the generalized Kadanoff-Baym ansatz with the full Kadanoff-Baym equations for an excitonic insulator out of equilibrium
• Energy loss and friction characteristics of electrons at warm dense matter and non-ideal dense plasma conditions
• Photoemission Signatures of Non-Equilibrium Carrier Dynamics from First Principles
• The dynamically screened ladder approximation: Simultaneous treatment of strong electronic correlations and dynamical screening out of equilibrium
• Electronic transport in molecular junctions: The generalized Kadanoff-Baym ansatz with initial contact and correlations
• Accelerating Nonequilibrium Green functions simulations: the G1-G2 scheme and beyond
• Neutralization dynamics of slow highly charged ions passing through graphene nanoflakes--an embedding self-energy approach
• Doublon production in correlated materials by multiple ion impacts
• Interacting electrons in a flat-band system within the Generalized Kadanoff-Baym Ansatz
• Stability bounds for the generalized Kadanoff-Baym ansatz in the Holstein dimer