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arXiv:1610.00109

Current-Density Functional Theory for the superconductor

Katsuhiko Higuchi, Masahiko Higuchi

Published Oct 1, 2016• 0 citations
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Abstract

We present the current-density functional theory for the superconductor immersed in the magnetic field. The order parameter of the superconducting state, transverse component of the paramagnetic current-density, and electron density are chosen as basic variables that uniquely determine the equilibrium properties of the system. In order to construct this theory, the development of the approximate form of the exchange-correlation (xc) energy functional is indispensable as well as the derivation of the effective single-particle equation which makes it possible to reproduce the equilibrium densities mentioned above. The rigorous expression of the xc-energy functional is derived using the technique of the coupling-constant integration. Furthermore, the approximate form of the xc energy functional is proposed such that the energy gap resulting from the effective single-particle equation is consistent with the attractive interaction energy of the system.

DOI
10.48550/arxiv.1610.00109

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We present the current-density functional theory for the superconductor immersed in the magnetic field. The order parameter of the superconducting state, transverse component of the paramagnetic current-density, and electron density are chosen as basic variables that uniquely determine the equilibrium properties of the system. In order to construct this theory, the development of the approximate form of the exchange-correlation (xc) energy functional is indispensable as well as the derivation of the effective single-particle equation which makes it possible to reproduce the equilibrium densities mentioned above. The rigorous expression of the xc-energy functional is derived using the technique of the coupling-constant integration. Furthermore, the approximate form of the xc energy functional is proposed such that the energy gap resulting from the effective single-particle equation is consistent with the attractive interaction energy of the system.
We present the current–density functional theory for the superconductor immersed in the magnetic field. The order parameter of the superconducting state, transverse component of the paramagnetic current–density, and electron density are chosen as basic variables that uniquely determine the equilibrium properties of the system. In order to construct this theory, the development of the approximate form of the exchange–correlation (xc) energy functional is indispensable as well as the derivation of the effective single-particle equation which makes it possible to reproduce the equilibrium densities mentioned above. The rigorous expression of the xc-energy functional is derived using the technique of the coupling-constant integration. Furthermore, the approximate form of the xc energy functional is proposed such that the energy gap resulting from the effective single-particle equation is consistent with the attractive interaction energy of the system.
Abstract A finite-temperature current-density functional theory for bosonic superfluids (sf-CDFT) in the thermal equilibrium state is proposed herein. In the sf-CDFT, hydrodynamic physical quantities, such as particle number density, current density, and the order parameter of the Bose–Einstein condensation, are chosen as the basic variables. This theory enables the simultaneous reproduction of the particle number and current densities of both the superfluid and normal fluid components with incorporating effects of the interaction between these components. Specifically, these components are determined by solving two single-particle equations, i.e., the Gross–Pitaevskii–Kohn–Sham and Kohn–Sham equations. Furthermore, using the continuity equation of superfluids, we present the sum rule for the exchange-correlation energy functional of the sf-CDFT, which is useful for developing the approximate form.
We present an ab initio theory for superconductors, based on a unique mapping between the statistical density operator at equilibrium, on the one hand, and the corresponding one-body reduced density matrix $\ensuremath{\gamma}$ and the anomalous density $\ensuremath{\chi}$, on the other. This formalism for superconductivity yields the existence of a universal functional ${\mathfrak{F}}_{\ensuremath{\beta}}[\ensuremath{\gamma},\ensuremath{\chi}]$ for the superconductor ground state, whose unique properties we derive. We then prove the existence of a Kohn-Sham system at finite temperature and derive the corresponding Bogoliubov--de Gennes--type single-particle equations. By adapting the decoupling approximation from density functional theory for superconductors we bring these equations into a computationally feasible form. Finally, we use the existence of the Kohn-Sham system to extend the Sham-Schl\"uter connection and derive a first exchange-correlation functional for our theory. This reduced density matrix functional theory for superconductors has the potential of overcoming some of the shortcomings and fundamental limitations of density functional theory of superconductivity.
A fermion system with a simple attractive interaction is discussed with the aid of time-dependent correlation functions. Although perturbation theory is inapplicable, a sequence of correlation approximations described in the first paper of this series can be employed. The lowest approximation in the sequence expresses the two-particle correlation function in terms of single-particle functions and leads to the Hartree approximation; the second expresses three-particle correlation function in terms of one- and two-particle correlation functions and leads to the time-dependent correlation functions that characterize the super-conducting model of Bardeen, Cooper, and Schrieffer. In the second section of this paper these correlation functions are determined and the thermodynamic properties of the superconductor are calculated from them.In the third section of the paper, the electromagnetic effects of the superconductor predicted by the Bardeen-Cooper-Schrieffer time-dependent correlation functions are considered. Their unsatisfactory description of current conservation is indicated and overcome in the fourth section by a more accurate solution valid at nonvanishing temperature. This solution predicts different diffusive properties but the same Meissner effect and superconductive behavior, since the longitudinal current correlation function is modified while the transverse current correlation functions is not.The fifth section of the paper is devoted to the properties of a pure superconductor which depend on the lifetimes of the single-particle excitations. The effect of these lifetimes on the static electrical conductivity is determined, and it is shown that they do not destroy supercurrents although they eliminate a gap in the single-particle excitation spectrum. Their effect on the thermal conductivity is also calculated using heat current correlation functions. It is shown that a model which treats the lifetime of the single-particle excitation due to lattice interactions as constant yields results in agreement with observed thermal conductivities.
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of conduction electrons in metals. An integral equation for the electron distribution function over wave vectors has been obtained. The solutions of this equation have been found for those cases where the single-particle Hamiltonian and the electron interaction Hamiltonian can be approximated by a quite simple expression. It is shown that the distribution function at temperatures below the critical value possesses previously unknown features which allow to explain the superconductivity of metals and presence of a gap in the energy spectrum of superconducting electrons.
The equations for the Green's functions of the theory of superconductivity are developed in an iterative scheme in which the two-particle function is rewritten as the functional derivative of the single-particle function with respect to external-source terms. When a source coupled to electron pairs in addition to an external potential coupled to the charge density is included in the Hamiltonian, the possibility for a gap in the single-particle excitations is found. The first order in the iteration scheme for the solution to the Green's function equations is independent of the way in which the two-particle function is generated, as the final result must be. Equations for the vertex functions are obtained and used to find the linear response of the current to an applied electromagnetic field. An exact solution to the vertex equation of interest is used to show that no current will be induced by a static longitudinal vector potential. In addition, all the functions calculated are found to have translationally invariant solutions. Thus, the original invariances of the Hamiltonian are restored when the source terms are set equal to zero. Corrections to the self-energy are estimated by using another of the solutions to the vertex equations.