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Low Temperature Physics

Stationary property of the thermodynamic potential of the Hubbard model in strong coupling diagrammatic approach for superconducting state

V. A. Moskalenko, Leonid Alekseevich Dohotaru, D. F. Digor, I. D. Cebotari

Published Oct 1, 2012• 0 citations
Publisher

Abstract

Diagrammatic analysis for normal state of Hubbard model proposed in our previous paper is generalized and used to investigate superconducting state of this model. We use the notion of charge quantum number to describe the irreducible Green's function of the superconducting state. As in the previous paper we introduce the notion of tunneling Green's function and of its mass operator. This last quantity turns out to be equal to correlation function of the system. We proved the existence of exact relation between renormalized one-particle propagator and thermodynamic potential which includes integration over auxiliary interaction constant. The notion of skeleton diagrams of propagator and vacuum kinds were introduced. These diagrams are constructed from irreducible Green's functions and tunneling lines. Identity of this functional to the thermodynamic potential has been proved and the stationarity with respect to variation of the mass operator has been demonstrated.

DOI
10.1063/1.4758767

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Diagrammatic analysis for normal state of Hubbard model proposed in our previous paper is generalized and used to investigate superconducting state of this model. We use the notion of charge quantum number to describe the irreducible Green's function of the superconducting state. As in the previous paper we introduce the notion of tunneling Green's function and of its mass operator. This last quantity turns out to be equal to correlation function of the system. We proved the existence of exact relation between renormalized one-particle propagator and thermodynamic potential which includes integration over auxiliary interaction constant. The notion of skeleton diagrams of propagator and vacuum kinds were introduced. These diagrams are constructed from irreducible Green's functions and tunneling lines. Identity of this functional to the thermodynamic potential has been proved and the stationarity with respect to variation of the mass operator has been demonstrated.
Diagrammatic analysis for normal state of Hubbard model proposed in our previous paper [1] is generalized and used to investigate superconducting state of this model. We use the notion of charge quantum number to describe the irreducible Green's function of the superconducting state. As in the previous paper we introduce the notion of tunneling Green's function and of its mass operator. This last quantity turns out to be equal to correlation function of the system. We proved the existence of exact relation between renormalized one-particle propagator and thermodynamic potential which includes integration over auxiliary interaction constant. The notion of skeleton diagrams of propagator and vacuum kinds were introduced. These diagrams are constructed from irreducible Green's functions and tunneling lines. Identity of this functional to the thermodynamic potential has been proved and the stationarity with respect to variation of the mass operator has been demonstrated.
Diagrammatic approach proposed many years ago for strong correlated Hubbard model is developed for analyzing of the thermodynamic potential properties. The new exact relation between such renormalized quantities as thermodynamic potential, one-particle propagator and correlation function is established. This relation contains additional integration of the one-particle propagator by the auxiliary constant. The vacuum skeleton diagrams constructed from irreducible Green’s functions and tunneling propagator lines are determined and special functional is introduced. The properties of such functional are investigated and its relation to the thermodynamic potential is established. The stationary properties of this functional with respect to first order changing of the correlation function is demonstrated and as a consequence the stationary properties of the thermodynamic potential is proved.
The diagram approach proposed many years ago for the strongly correlated Hubbard model is developed with the aim to analyze the thermodynamic potential properties. A new exact relation between renormalized quantities such as the thermodynamic potential, the one-particle propagator, and the correlation function is established. This relation contains an additional integration of the one-particle propagator with respect to an auxiliary constant. The vacuum skeleton diagrams constructed from the irreducible Green’s functions and tunneling propagator lines are determined and a special functional is introduced. The properties of this functional are investigated and its relation to the thermodynamic potential is established. The stationarity property of this functional with respect to first-order variations of the correlation function is demonstrated; as a consequence, the stationarity property of the thermodynamic potential is proved.
We propose a diagrammatic theory around the atomic limit for the normal state of the Anderson impurity model. The new diagram method is based on Wick’s theorem for conduction electrons and a generalized Wick’s theorem for strongly correlated impurity electrons, which coincides with the definition of the Kubo cumulant. We prove a linked-cluster theorem for the mean of the evolution operator and obtain Dysontype equations for the one-particle propagators. The main element in these equations is the impurity electron correlation function, which contains the spin, charge, and pairing fluctuations of the system. We express the system thermodynamic potential in terms of the full propagator of conduction electrons and the correlation function. We establish that the thermodynamic potential is stationary under changes of the correlation function.
Quantum statistical mechanics is renormalized, that is, the thermodynamical functions and the ``bare'' ν-body potentials vν occurring in the Hamiltonian are expressed as functionals of the ν-body distribution functions Gν (the expectation values of 2ν field operators). The field operators are considered as having two components (creation and annihilation), and Gν thus has (2)2ν components. The renormalization is carried out for superfluid Bose systems for which it is necessary to consider the expectation values of 2ν = 1, 2, 3, 4 operators. Superfluid Fermi systems and normal systems appear as particular cases, described by expectation values of 2ν = 2, 4 operators. This problem, dealt with by algebraic methods in part I, is attacked here by diagrammatic methods. These methods are more dependent on convergence properties but the resulting functionals are obtained explicitly as power series of the Gν′s, the general term being represented by a class of diagrams characterized by their topological structure. In the final result, the entropy is exhibited as an explicit functional of the distribution functions Gν, (2ν = 1, 2, 3, 4), or more precisely, of functions directly related to them. This functional no longer involves the potentials (nor the equilibrium parameters). It is stationary under independent variations of the Gν′s, subject to the constraints of constant energy and particle number. The four equations of stationarity exhibit each function vν as a functional of the Gν′s, self-consistently defining these distribution functions.
The Luttinger-Ward functional $\mathrm{\ensuremath{\Phi}}[\mathbf{G}]$, which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function G\mathbf{G}G, is found to be ill defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]\ensuremath{\propto}\ensuremath{\delta}\mathrm{\ensuremath{\Phi}}[\mathbf{G}]/\ensuremath{\delta}\mathbf{G}$ is not a single-valued functional of G\mathbf{G}G: in addition to the physical solution for $\mathbf{\ensuremath{\Sigma}}[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for $\mathbf{\ensuremath{\Sigma}}$ in terms of G\mathbf{G}G is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function G0{\mathbf{G}}_{0}G0​ converges to the correct physical branch of $\mathbf{\ensuremath{\Sigma}}$ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.