Variational study of the Holstein polaron

Abstract

The paper deals with the ground and the first excited state of the polaron in the one dimensional Holstein model. Various variational methods are used to investigate both the weak coupling and strong coupling case, as well as the crossover regime between them. Two of the methods, which are presented here for the first time, introduce interesting elements to the understanding of the nature of the polaron. Reliable numerical evidence is found that, in the strong coupling regime, the ground and the first excited state of the self-trapped polaron are well described within the adiabatic limit. The lattice vibration modes associated with the self-trapped polarons are analyzed in detail, and the frequency softening of the vibration mode at the central site of the small polaron is estimated. It is shown that the first excited state of the system in the strong coupling regime corresponds to the excitation of the soft phonon mode within the polaron. In the crossover regime, the ground and the first excited state of the system can be approximated by the anticrossing of the self-trapped and the delocalized polaron state. In this way, the connection between the behavior of the ground and the first excited state is qualitatively explained.

11 pages, 4 figures, PRB 65, 144301

References in corpus (3)

• A new variational approach for the Holstein Molecular Crystal Model
• Polaron features of the one-dimensional Holstein Molecular Crystal Model
• Electron-Phonon Correlations, Polaron Size, and the Nature of the Self-Trapping Transition

Cited by in corpus (27)

• The Green's Function of the Holstein Polaron
• Quantum Monte Carlo and variational approaches to the Holstein model
• Mobility of Holstein polaron: an unbiased approach
• Real-time decay of a highly excited charge carrier in the one-dimensional Holstein model
• Polarons and slow quantum phonons
• Finite-temperature density-matrix renormalization group method for electron-phonon systems: Thermodynamics and Holstein-polaron spectral functions
• Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
• Calculation of excited polaron states in the Holstein model
• Optical absorption and activated transport in polaronic systems
• Quantum-entanglement aspects of polaron systems
• Single polaron properties of the breathing-mode Hamiltonian
• Variational Monte Carlo Method for Electron-Phonon Coupled Systems
• Phase diagram of the Holstein polaron in one dimension
• Polaron Crossover in Molecular Solids
• Finite-temperature optical conductivity with density-matrix renormalization group methods for the Holstein polaron and bipolaron with dispersive phonons
• Barrier crossing to the small Holstein polaron regime
• Relevant coherent states method for the quantum adiabatic dynamics of lattice-coupled charge carriers
• Influence of static disorder and polaronic band formation on interfacial electron transfer in organic photovoltaic devices
• Chebyshev pseudosite matrix product state approach for the spectral functions of electron-phonon coupling systems
• Inhomogeneous dynamical mean field theory of the small polaron problem
• Thermodynamic properties of Holstein polarons and the effects of disorder
• Light bipolarons in a system of electrons coupled to dispersive optical phonons
• Density matrix of electrons coupled to phonons and the electron-phonon entanglement content of excited states
• Effect of different site energies on polaronic properties
• Signature of preformed pairs in angle-resolved photoemission spectroscopy
• Spectral Function of an Electron Coupled to Hard Core Bosons
• Spectral function of a bipolaron coupled to dispersive optical phonons