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arXiv:1011.1259 · Physical Review B

Perturbation theory of the mass enhancement for a polaron coupled to acoustic phonons

Zhou Li, Carl J. Chandler, F. Marsiglio

Published Jan 21, 2011• 22 citations
arXivHTMLPDF

Abstract

We use both a perturbative Green's function analysis and standard perturbative quantum mechanics to calculate the decrease in energy and the effective mass for an electron interacting with acoustic phonons. The interaction is between the difference in lattice displacements for neighboring ions and the hopping amplitude for an electron between those two sites. The calculations are performed in one, two, and three dimensions, and comparisons are made with results from other electron-phonon models. We also compute the spectral function and quasiparticle residue, as a function of characteristic phonon frequency. There are strong indications that this model is always polaronic on one dimension, where an unusual relation between the effective mass and the quasiparticle residue is also found.

DOI
10.1103/physrevb.83.045104

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We use both a perturbative Green's function analysis and standard perturbative quantum mechanics to calculate the decrease in energy and the effective mass for an electron interacting with acoustic phonons. The interaction is between the difference in lattice displacements for neighboring ions and the hopping amplitude for an electron between those two sites. The calculations are performed in one, two, and three dimensions, and comparisons are made with results from other electron-phonon models. We also compute the spectral function and quasiparticle residue, as a function of characteristic phonon frequency. There are strong indications that this model is always polaronic on one dimension, where an unusual relation between the effective mass and the quasiparticle residue is also found.
The change of the spectral properties of the single-particle Green's function due to a coupling to optical phonons is investigated for strongly correlated electrons. The phonon-induced mass renormalization of the carriers that propagate in the t-J model on scale J is much larger than in the corresponding uncorrelated model, except in the limit of J\ensuremath{\rightarrow}0 where the weight of the quasiparticle pole tends to zero. The enhancement is a consequence of the slow coherent motion of the spin polarons, which makes electron-phonon interactions more effective. Two scaling laws are determined which relate the mass renormalization to phonon frequency and coupling constant.
Employing a largely unbiased variational exact diagonalization technique, we analyze the consequences of longer-ranged electron hopping and electron-phonon interaction on polaron formation in one dimension. Having at our disposal the accurate ground-state energy and wave function, we calculate and discuss various physical quantities, such as the renormalized band structure, effective mass, wave-function renormalization factor, phonon dressing, and Drude weight, characterizing the properties of the polaronic quasiparticle. We demonstrate that the electron-phonon coupling affects the relative strength of the nearest neighbor (NN) and next nearest neighbor (NNN) hopping processes in a dynamic way. Most notably we observe that the minimum of the polaron band, occurring at a finite momentum for large negative ratio between NN and NNN transfer, jumps to zero momentum as the electron-phonon coupling exceeds a critical one, thereby causing a rather sharp polaron transition in the one-dimensional extended Holstein model. The signatures of this transition are seen in the effective mass and polaron mobility, and therefore should be easily detectable by transport measurements.
We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type interaction. To treat the dynamical quantum phonons without significant loss of accuracy we adapt an exact Lanczos diagonalization method and compute various static and dynamical quantities, such as the electron-lattice correlation function, the polaron band dispersion, the effective polaron mass, the kinetic energy, the single-particle spectral function, and the optical conductivity, on finite one-dimensional lattices for a wide range of model parameters. We compare the results with those obtained for the standard Holstein model with short-range electron-phonon interaction only.
Allowing a single electron to hop to next-nearest neighbours (NNN) in addition to the closest atomic sites in the Holstein model, a modified Trugman method is applied to exactly calculate the effect on the polaronic effective mass in one, two, and three dimensions, building on the previous study of the one-dimensional NNN Holstein model. We also present perturbative calculations and a heuristic scaling factor for the coupling strength and ion frequency to nearly map the NNN Holstein model back onto the original Holstein model. When account is taken of the modified electronic bandwidth near the electron energy, we find that including NNN hopping effectively increases the polaron effective mass.
According to recent Quantum Monte Carlo simulations the small polaron theory is practically exact in a wide range of the long-range (Frohlich) electron-phonon coupling and adiabatic ratio. We apply the Lang-Firsov transformation to convert the strong-coupling term in the Hamiltonian into the form of an effective hopping integral and derive the single-particle Green's function describing propagation of the small Frohlich polaron. One and two dimensional spectral functions are studied by expanding the Green's function perturbatively. Numerical calculations of the spectral functions are produced. Remarkably, the coherent spectral weight (Z) and effective mass (Z') renormalisation exponents are found to be different with Z'>>Z, which can explain a small coherent spectral weight and a relatively moderate mass enhancement in oxides.
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of phonons, and the electron-lattice correlation function are discussed for the system with coupling to local and nearest-neighbor lattice displacements comparing the results with the long-range case. For large values of the coupling with nearest-neighbor sites, most physical quantities show a strong resemblance with those obtained for the long-range electron-phonon interaction. Moreover, for intermediate values of interaction strength, the correlation function between electron and nearest-neighbor lattice displacements is characterized by an upturn as function of the electron-phonon coupling constant.