Stopping dynamics of ions passing through correlated honeycomb clusters

Abstract

A combined nonequilibrium Green functions-Ehrenfest dynamics approach is developed that allows for a time-dependent study of the energy loss of a charged particle penetrating a strongly correlated system at zero and finite temperature. Numerical results are presented for finite inhomogeneous two-dimensional Fermi-Hubbard models, where the many-electron dynamics in the target are treated fully quantum mechanically and the motion of the projectile is treated classically. The simulations are based on the solution of the two-time Dyson (Keldysh-Kadanoff-Baym) equations using the second-order Born, third-order and T-matrix approximations of the self-energy. As application, we consider protons and helium nuclei with a kinetic energy between 1 and 500 keV/u passing through planar fragments of the two-dimensional honeycomb lattice and, in particular, examine the influence of electron-electron correlations on the energy exchange between projectile and electron system. We investigate the time dependence of the projectile's kinetic energy (stopping power), the electron density, the double occupancy and the photoemission spectrum. Finally, we show that, for a suitable choice of the Hubbard model parameters, the results for the stopping power are in fair agreement with ab-initio simulations for particle irradiation of single-layer graphene.

13 pages, 12 figures

References in corpus (14)

• The electronic properties of graphene
• Electronic stopping power in insulators from first principles
• Electronic stopping power in gold: The role of d electrons and the H/He anomaly
• First-principles nonequilibrium Green's function approach to transient photoabsorption: Application to atoms
• Time-dependent second Born calculations for model atoms and molecules in strong laser fields
• Electronic stopping power in a narrow band gap semiconductor from first principles
• Interaction driven metal-insulator transition in strained graphene
• Ab initio transport results for strongly correlated fermions
• Including nonlocality in exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids
• Measuring correlated electron dynamics with time-resolved photoemission spectroscopy
• Towards a nonequilibrium Green's function description of nuclear reactions: one-dimensional mean-field dynamics
• Many-body theory of the neutralization of strontium ions on gold surfaces
• Lehmann representation of the nonequilibrium self-energy
• The auxiliary Hamiltonian approach and its generalization to non-local self-energies

Cited by in corpus (29)

• Theoretical foundations of quantum hydrodynamics for plasmas
• Achieving the Ultimate Scaling Limit for Nonequilibrium Green Functions Simulations
• First principles simulations of dense hydrogen
• Nonequilibrium dynamics in the one-dimensional Fermi-Hubbard model: A comparison of the nonequilibrium Green functions approach and the density matrix renormalization group method
• Configuration Path Integral Monte Carlo Approach to the Static Density Response of the Warm Dense Electron Gas
• Towards an integrated modeling of the plasma-solid interface
• Ultrafast Dynamics of Strongly Correlated Fermions -- Nonequilibrium Green Functions and Selfenergy Approximations
• Fundamental Phenomena and Applications of Swift Heavy Ion Irradiations
• Charge separation in donor-C60 complexes with real-time Green's functions: The importance of nonlocal correlations
• Truncating the memory time in nonequilibrium DMFT calculations
• Energy loss and friction characteristics of electrons at warm dense matter and non-ideal dense plasma conditions
• The dynamically screened ladder approximation: Simultaneous treatment of strong electronic correlations and dynamical screening out of equilibrium
• Molecular junctions and molecular motors: Including Coulomb repulsion in electronic friction using nonequilibrium Green's functions
• Doublon formation by ions impacting a strongly correlated finite lattice system
• Extraction of the frequency moments of spectral densities from imaginary-time correlation function data
• Quench Dynamics and Hall Response of Interacting Chern Insulators
• Adiabatic Preparation of a Correlated Symmetry-Broken Initial State with the Generalized Kadanoff--Baym Ansatz
• Ion Impact Induced Ultrafast Electron Dynamics in Correlated Materials and Finite Graphene Clusters
• Steering Magnetic Skyrmions with Nonequilibrium Green's Functions
• Accelerating Nonequilibrium Green functions simulations: the G1-G2 scheme and beyond
• Extending \textit{ab initio} plasma-surface simulations to experimentally relevant scales
• 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
• Efficient computation of the second-Born self-energy using tensor-contraction operations
• Microscopic modeling of gas-surface scattering. I. A combined molecular dynamics-rate equation approach
• Löwdin's symmetry dilemma within Green functions theory for the one-dimensional Hubbard model
• Quantum Fluctuations Approach to the Nonequilibrium $GW$-Approximation II: Density Correlations and Dynamic Structure Factor
• Plunging in the Dirac sea using graphene quantum dots
• Thermoelectric energy conversion in molecular junctions out of equilibrium