Charge density wave breakdown in a heterostructure with electron-phonon coupling

Abstract

Understanding the influence of vibrational degrees of freedom on transport through a heterostructure poses considerable theoretical and numerical challenges. In this work, we use the density-matrix renormalization group (DMRG) method together with local basis optimization (LBO) to study the half-filled Holstein model in the presence of a linear potential, either isolated or coupled to tight-binding leads. In both cases, we observe a decay of charge-density-wave (CDW) states at a sufficiently strong potential strength. Local basis optimization selects the most important linear combinations of local oscillator states to span the local phonon space. These states are referred to as optimal modes. We show that many of these local optimal modes are needed to capture the dynamics of the decay, that the most significant optimal mode on the initially occupied sites remains well described by a coherent-state typical for small polarons, and that those on the initially empty sites deviate from the coherent-state form. Additionally, we compute the current through the structure in the metallic regime as a function of voltage. For small voltages, we reproduce results for the Luttinger parameters. As the voltage is increased, the effect of larger electron-phonon coupling strengths becomes prominent. Further, the most significant optimal mode remains almost unchanged when going from the ground state to the current-carrying state in the metallic regime.

15 pages, 13 figures, the data can be found as .csv files in the ancillary files

References in corpus (29)

• The density-matrix renormalization group in the age of matrix product states
• The numerical renormalization group method for quantum impurity systems
• Real time evolution using the density matrix renormalization group
• Molecular Transport Junctions: Vibrational Effects
• Real-time dynamics in Quantum Impurity Systems: A Time-dependent Numerical Renormalization Group Approach
• Diagrammatic Monte Carlo simulation of non-equilibrium systems
• Heat conduction in molecular transport junctions
• Sliding charge density wave in manganites
• Quenching Bloch oscillations in a strongly correlated material
• Eigenstate thermalization and quantum chaos in the Holstein polaron model
• Charge transport through single molecules, quantum dots, and quantum wires
• Imaginary-time formulation of steady-state nonequilibrium: application to strongly correlated transport
• Non-equilibrium electronic transport in a one-dimensional Mott insulator
• Chebyshev expansion for Impurity Models using Matrix Product States
• Real-time decay of a highly excited charge carrier in the one-dimensional Holstein model
• Simulating generic spin-boson models with matrix product states
• Time-dependent DMRG Study on Quantum Dot under a Finite Bias Voltage
• Charge-density-wave melting in the one-dimensional Holstein model
• On the electronic structure of the charge-ordered phase in epitaxial and polycrystalline La1-xCaxMnO3 (x = 0.55, 0.67) perovskite manganites
• Crossover from adiabatic to antiadiabatic phonon-assisted tunneling in single-molecule transistors
• Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer
• Efficient and Flexible Approach to Simulate Low-Dimensional Quantum Lattice Models with Large Local Hilbert Spaces
• Comparative Study of State-of-the-Art Matrix-Product-State Methods for Lattice Models with Large Local Hilbert Spaces
• Density matrix renormalization group study of a quantum impurity model with Landau-Zener time-dependent Hamiltonian
• Nonequilibrium perturbation theory of the spinless Falicov-Kimball model
• Influence of phonon-assisted tunneling on the linear thermoelectric transport through molecular quantum dots
• Exponential and power-law renormalization in phonon-assisted tunneling
• Scattering of an electronic wave packet by a one-dimensional electron-phonon-coupled structure
• Finite-bias transport through the interacting resonant level model coupled to a phonon mode -- a functional renormalization group study