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Physics Letters A

Parity effect and thermodynamics of canonical superconducting ensembles

Dmitry S. Golubev, Andrei D. Zaikin

Published Dec 1, 1994• 46 citations
Publisher
DOI
10.1016/0375-9601(94)90046-9

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By means of the Lanczos method we analyze superconducting correlations in ultrasmall grains at fixed particle number. We compute the ground-state properties and the excitation gap of the pairing Hamiltonian as a function of the level spacing $\ensuremath{\delta}$. Both quantities turn out to be parity dependent and universal functions of the ratio $\ensuremath{\delta}/\ensuremath{\Delta}$ ( $\ensuremath{\Delta}$ is the BCS gap). We then characterize superconductivity in the canonical ensemble from the scaling behavior of correlation functions in energy space.
By using variational Monte Carlo and auxiliary-field quantum Monte Carlo methods, we perform an accurate finite-size scaling of the sss-wave superconducting order parameter and the pairing correlations for the negative-UUU Hubbard model at zero temperature in the square lattice. We show that the twist-averaged boundary conditions (TABCs) are extremely important to control finite-size effects and to achieve smooth and accurate extrapolations to the thermodynamic limit. We also show that TABCs are much more efficient in the grand-canonical ensemble rather than in the standard canonical ensemble with fixed number of electrons. The superconducting order parameter as a function of the doping is presented for several values of ∣U∣/t|U|/t∣U∣/t and is found to be significantly smaller than the mean-field BCS estimate already for moderate couplings. This reduction is understood by a variational ansatz able to describe the low-energy behavior of the superconducting phase by means of a suitably chosen Jastrow factor including long-range density-density correlations.
We develop a regularization of the quantum microcanonical ensemble, called a Gaussian ensemble, which can be used for derivation of the canonical ensemble from microcanonical principles. The derivation differs from the usual methods by giving an explanation for the, at the first sight unreasonable, effectiveness of the canonical ensemble when applied to certain small, isolated, systems. This method also allows a direct identification between the parameters of the microcanonical and the canonical ensemble and it yields simple indicators and rigorous bounds for the effectiveness of the approximation. Finally, we derive an asymptotic expansion of the microcanonical corrections to the canonical ensemble for those systems, which are near, but not quite, at the thermodynamical limit and show how and why the canonical ensemble can be applied also for systems with an exponentially increasing density of states. The aim throughout the paper is to keep mathematical rigour intact while attempting to produce results which are both physically and practically interesting.