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arXiv:cond-mat/9905373 · International Journal of Modern Physics B

TWO-SITE POLARON PROBLEM: A PERTURBATION APPROACH WITH VARIATIONAL BASIS STATES

A. N. Das, JAYITA CHATTERJEE

Published Dec 30, 1999• 14 citations
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Abstract

A convergent perturbation method using modified Lang Firsov transformation is developed for a two-site single-polaron system. The method is applicable for the entire range of the electron–phonon coupling strength from the antiadiabatic limit to the intermediate region of hopping. The single-electron energies, oscillator wavefunctions and correlation functions, calculated using this method, are in good agreement with the exact results.

DOI
10.1142/s0217979299004070

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A convergent perturbation method using modified Lang Firsov transformation is developed for a two-site single-polaron system. The method is applicable for the entire range of the electron–phonon coupling strength from the antiadiabatic limit to the intermediate region of hopping. The single-electron energies, oscillator wavefunctions and correlation functions, calculated using this method, are in good agreement with the exact results.
We look for an analytical method which can describe the Holstein model over the entire region of electron–phonon (e–ph) coupling strength. Considering a toy model of two sites the perturbation expansions are developed for the Holstein Hamiltonian using different standard phonon bases. It is found that the modified Lang Firsov phonon basis shows satisfactory convergence for almost the entire range of e–ph coupling from the antiadiabatic limit to the intermediate range of hopping. This method is used to study the magnetic transition and the small to large polaron crossover in a double exchange model with e–ph interaction. Implications of the results in the context of manganites are discussed.
The two-site single-polaron problem is studied within perturbative expansions using different standard phonon bases obtained through Lang-Firsov (LF), modified LF, and modified LF transformations with squeezed phonon states. The role of these convergent expansions using the above prescriptions in lowering the energy and in determining the correlation functions are compared for different values of the coupling strength. The single-electron energy, oscillator wave functions, and correlation functions are calculated for the same system. The applicability of different phonon bases in different regimes of the coupling strength, as well as in different regimes of hopping, is also discussed.
The single-electron energy and static charge-lattice deformation correlations have been calculated for the first excited state of a two-site Holstein model within perturbative expansions using different standard phonon bases obtained through Lang-Firsov (LF) transformation, LF with squeezed phonon states, modified LF, modified LF transformation with squeezed phonon states, and also within weak-coupling perturbation approach. Comparisons of the convergence of the perturbative expansions for different phonon bases reveal that modified LF approach works much better than other approaches for major range of the coupling strength.
The single-electron energy and static charge-lattice deformation correlations have been calculated for the first excited state of a two-site Holstein model within perturbative expansions using different standard phonon bases obtained through Lang–Firsov (LF) transformation, LF with squeezed phonon states, modified LF, modified LF transformation with squeezed phonon states, and also within weak-coupling perturbation approach. Comparisons of the convergence of the perturbative expansions for different phonon bases reveal that modified LF approach works much better than other approaches for major range of the coupling strength.
The two-site two-electron Holstein model is studied within a perturbation method based on a variational phonon basis obtained through the modified Lang-Firsov (MLF) transformation. The ground-state wave function and the energy are found out considering up to the seventh and eighth order of perturbation, respectively. The convergence of the perturbation corrections of different orders to the ground state energy as well as to different correlation functions are investigated. The kinetic energy and the correlation functions involving charge and lattice deformations are studied as a function of electron-phonon (eee-ph) coupling for different values of adiabaticity parameter and Coulomb repulsion. The simultaneous effect of the eee-ph coupling and Coulomb repulsion on the kinetic energy shows interesting features.