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arXiv:1207.2599 · Journal of the Korean Physical Society

Electric dipolar susceptibility of the Anderson-Holstein model

Takahiro Fuse, Takashi Hotta

Published Jun 1, 2013• 4 citations
arXivHTMLPDF

Abstract

The temperature dependence of the electric dipolar susceptibility χP is discussed on the basis of the Anderson-Holstein model with the use of a numerical renormalization group (NRG) technique. Note that χ P is related to the phonon Green’s function D. In order to obtain a correct temperature dependence for χ P at low temperatures, we propose a method to evaluate χ P through the Dyson equation from the charge susceptibility χ c calculated by using the NRG instead of the direct NRG calculation of D. We find that the irreducible charge susceptibility estimated from χ c agree with the perturbation calculation, suggesting that our method works well.

DOI
10.3938/jkps.62.1874

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The temperature dependence of the electric dipolar susceptibility χP is discussed on the basis of the Anderson-Holstein model with the use of a numerical renormalization group (NRG) technique. Note that χ P is related to the phonon Green’s function D. In order to obtain a correct temperature dependence for χ P at low temperatures, we propose a method to evaluate χ P through the Dyson equation from the charge susceptibility χ c calculated by using the NRG instead of the direct NRG calculation of D. We find that the irreducible charge susceptibility estimated from χ c agree with the perturbation calculation, suggesting that our method works well.
We study the symmetric Anderson-Holstein (AH) model at zero temperature with Wilson's numerical renormalization-group (NRG) technique to investigate the interplay between the electron-electron and electron-phonon interactions. An improved method for calculating the phonon propagator using the NRG technique is presented. It is more accurate and reliable than the previous methods in that it is written in the form of the Dyson equation which calculates the phonon renormalization explicitly, and satisfies the boson sum rule better. The method is applied to calculate the renormalized phonon propagators along with the electron propagators as the on-site Coulomb repulsion U and electron-phonon coupling constant g are varied. As g is increased from 0, the phonon mode gets softened (hardened) for $U\ensuremath{\gtrsim}(\ensuremath{\lesssim}{)U}_{s}(\ensuremath{\Delta})$ depending on the parameters of the AH model, U, and the hybridization $\ensuremath{\Delta}.$ And, for $g\ensuremath{\gtrsim}{g}_{\mathrm{co}},$ one crosses over to the regime where the phonon mode splits into two components, one of which developing into a soft mode and the other approaching back to the bare frequency as g is further increased. Correlated with the emergence of the soft mode, the central peak of the electron spectral function is severely suppressed. These NRG calculations are compared with the standard Green's-function results for the weak-coupling regime to understand the phonon renormalization and soft mode.
We study the symmetric Anderson–Holstein (AH) model at zero temperature with Wilson's numerical renormalization group (NRG) technique to study the interplay between the electron-electron and electron-phonon interactions. An improved method for calculating the phonon propagator using the NRG technique is presented and applied to the AH model as the onsite Coulomb repulsion U and electron-phonon coupling constant g are varied. As g is increased, the phonon propagator is successively renormalized, and for g≳gco crosses over to the regime where the mode splits into two components, one of which approaches back to the bare frequency and the other develops into a soft mode. The initial renormalization of the phonon mode, as g is increased from 0, can be either positive or negative depending on U and the hybridization Δ.
We extend the renormalized quasiparticle description of the symmetric Anderson model in a magnetic field HHH, developed in earlier work, to the nonsymmetric model. The renormalized parameters are deduced from the low energy numerical renormalization group (NRG) fixed point for arbitrary field values. We find quasiparticle resonance widths, ${\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\Delta}}}_{\ensuremath{\sigma}}(H)$, which depend in general on the spin $\ensuremath{\sigma}$ as well as HHH. The low temperature static properties can be expressed completely in terms of these parameters, which can also be used as inputs for a renormalized perturbation theory. We show that taking into account repeated quasiparticle scattering gives results for the longitudinal and transverse dynamic spin susceptibilities which are in very good agreement with those obtained from direct NRG calculations.
We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp{C}_{\mathrm{imp}}Cimp​ to be calculated accurately from local static correlation functions; specifically via ${C}_{\mathrm{imp}}=\frac{\ensuremath{\partial}{E}_{\mathrm{ionic}}}{\ensuremath{\partial}T}+\frac{1}{2}\frac{\ensuremath{\partial}{E}_{\mathrm{hyb}}}{\ensuremath{\partial}T}$, where Eionic{E}_{\mathrm{ionic}}Eionic​ and Ehyb{E}_{\mathrm{hyb}}Ehyb​ are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp{C}_{\mathrm{imp}}Cimp​. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.
Recent developments in the numerical renormalization group (NRG) allow the construction of the full density matrix (FDM) of quantum impurity models [see A. Weichselbaum and J. von Delft, Phys. Rev. Lett. 99, 076402 (2007)] by using the completeness of the eliminated states introduced by F. B. Anders and A. Schiller [F. B. Anders and A. Schiller, Phys. Rev. Lett. 95, 196801 (2005)]. While these developments prove particularly useful in the calculation of transient response and finite-temperature Green's functions of quantum impurity models, they may also be used to calculate thermodynamic properties. In this paper, we assess the FDM approach to thermodynamic properties by applying it to the Anderson impurity model. We compare the results for the susceptibility and specific heat to both the conventional approach within NRG and to exact Bethe ansatz results. We also point out a subtlety in the calculation of the susceptibility (in a uniform field) within the FDM approach. Finally, we show numerically that for the Anderson model, the susceptibilities in response to a local and a uniform magnetic field coincide in the wide-band limit, in accordance with the Clogston-Anderson compensation theorem.
We calculate the spin and charge dynamical susceptibilities of a strongly correlated impurity model in a renormalised perturbation theory. The irreducible for vertices for the quasiparticle scattering are deduced from the renormalised parameters, which have been calculated by fitting of the low-lying levels of a numerical renormalisation group (NRG) calculation to those of an effective Anderson model. The susceptibilities are asymptotically exact in the low frequency limit and satisfy the Korringa-Shiba relation. By comparing the results with those calculated from a direct NRG calculation, we show that the renormalised perturbation theory (RPT) description gives a very good description of spin dynamics for all values of the local interaction U, not only at low frequencies but over the whole relevant frequency range. In the presence of a magnetic field the approach can be generalised using field dependent renormalised parameters to calculate the transverse and parallel spin dynamic susceptibilities. The RPT results give accurate results for the spin dynamics over the whole frequency range and for all values of the magnetic field.