Abstract The superfluid weight is an important observable of superconducting materials since it is related to the London penetration depth of the Meissner effect. It can be computed from the change in the grand potential (or free energy) in response to twisted boundary conditions in a torus geometry. Here we review the Bardeen–Cooper–Schrieffer mean-field theory emphasizing its origin as a variational approximation for the grand potential. The variational parameters are the effective fields that enter in the mean-field Hamiltonian, namely the Hartree–Fock potential and the pairing potential. The superfluid weight is usually computed by ignoring the dependence of the effective fields on the twisted boundary conditions. However, it has been pointed out in recent works that this can lead to unphysical results, particularly in the case of lattice models with flat bands. As a first result, we show that taking into account the dependence of the effective fields on the twisted boundary conditions leads in fact to the generalized random phase approximation. Our second result is providing the mean-field grand potential as an explicit function of the one-particle density matrix. This allows us to derive the expression for the superfluid weight within the generalized random phase approximation in a transparent manner. Moreover, reformulating mean-field theory as a well-posed minimization problem in terms of the one-particle density matrix is a first step towards the application to superconducting systems of the linear scaling methods developed in the context of electronic structure theory.
Abstract The superfluid weight is an important observable of superconducting materials since it is related to the London penetration depth of the Meissner effect. It can be computed from the change in the grand potential (or free energy) in response to twisted boundary conditions in a torus geometry. Here we review the Bardeen–Cooper–Schrieffer mean-field theory emphasizing its origin as a variational approximation for the grand potential. The variational parameters are the effective fields that enter in the mean-field Hamiltonian, namely the Hartree–Fock potential and the pairing potential. The superfluid weight is usually computed by ignoring the dependence of the effective fields on the twisted boundary conditions. However, it has been pointed out in recent works that this can lead to unphysical results, particularly in the case of lattice models with flat bands. As a first result, we show that taking into account the dependence of the effective fields on the twisted boundary conditions leads in fact to the generalized random phase approximation. Our second result is providing the mean-field grand potential as an explicit function of the one-particle density matrix. This allows us to derive the expression for the superfluid weight within the generalized random phase approximation in a transparent manner. Moreover, reformulating mean-field theory as a well-posed minimization problem in terms of the one-particle density matrix is a first step towards the application to superconducting systems of the linear scaling methods developed in the context of electronic structure theory.
Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.
By using variational Monte Carlo and auxiliary-field quantum Monte Carlo methods, we perform an accurate finite-size scaling of the s-wave superconducting order parameter and the pairing correlations for the negative-U 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 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.
In this thesis, superconductivity of fermions in two-dimensional Hubbard lattice models is theoretically studied. Each of the studied lattice structures features intriguing properties that provide valuable insight to understand superconductivity in general. While real condensed matter systems are too complicated to tackle with theoretical tools, the Hubbard model is one of the simplest quantum many-body models to possess a wide spectrum of physically relevant phenomena, from superconductivity to magnetism and topological order. Hubbard models are also interesting as they can be experimentally realized and accurately controlled by utilizing ultracold gases.
The first part of the thesis explains the required theoretical background of superconductivity in the level of mean-field and linear response theories. Specifically, we primarily focus on the superfluid weight which implies the existence of the Meissner effect and dissipationless current, defining properties of superconductors. We further discuss how the Berezinskii-Kosterlitz-Thouless (BKT) transition, related to the loss of superconductivity due to the thermal fluctuations of the superconducting order parameter in high enough temperatures, can be accessed via the superfluid weight.
In the second part, the main results are discussed. We show how the superconductivity of lattice models featuring dispersionless Bloch bands, so-called flat bands, can be large and originating from the quantum geometric properties of the Bloch states of the flat bands. This is in contrast to conventional dispersive bands where superconductivity is determined by the effective mass of the particles, i.e. by the dispersion relation of the Bloch bands alone and not by the Bloch states. This is well demonstrated in the Lieb lattice geometry, studied in Publication I, which features both a strictly flat and two dispersive Bloch bands, allowing direct comparison of superconductivity in dispersive and flat bands. We show how the superconductivity of the flat band is more robust than that of the dispersive bands and how the superfluid weight behaves non-monotonically as a function of the interaction strength. This non-monotonic behavior should be experimentally accessible. Flat band superconductivity is also the topic of Publication III, where the experimentally realized twisted bilayer graphene (TBG) is studied with local and non-local attractive interactions. We predict qualitative differences between local and non-local interaction schemes which could be distinguished experimentally and reveal the quantum geometric origin of superconductivity in TBG systems in case of both the assumed interaction schemes.
Exotic Fulde-Ferrell (FF) superfluid phases, characterized by the non-zero momentum of Cooper pairs, were explored in Publication II. We show how the FF phases can be stabilized against thermal fluctuations in the presence of spin-orbit coupling (SOC) and that topologically non-trivial FF states, created with SOC and Zeeman fields, can be found at finite temperatures.; Tassa…
We consider the superfluid weight, speed of sound and excitation fraction of a flat band Bose–Einstein condensate (BEC) within multiband Bogoliubov theory. The superfluid weight is calculated by introducing a phase winding and minimizing the free energy with respect to it. We find that the superfluid weight has a contribution arising from the change in the condensate density and chemical potential upon the phase twist that has been neglected in the previous literature. We also point out that the speed of sound and the excitation fraction are proportional to orbital-position-independent generalizations of the quantum metric and the quantum distance, and reduce to the usual quantum metric (Fubini–Study metric) and the Hilbert–Schmidt quantum distance only in special cases. We derive a second-order perturbation correction to the dependence of the speed of sound on the generalized quantum metric, and show that it compares well with numerical calculations. Our results provide a consistent connection between flat band BEC and quantum geometry, with physical observables being independent of the orbital positions for fixed hopping amplitudes, as they should, and complete formulas for the evaluation of the superfluid weight within the Bogoliubov theory. We discuss the limitations of the Bogoliubov theory in evaluating the superfluid weight.
The attractive Hubbard model for normal and superconducting ground states is examined for arbitrary electron concentration by the use of the slave-boson mean-field approximation (SBMFA) technique. This approach, at a saddle-point level, is equivalent to the Gutzwiller approximation. Several superfluid characteristics of the model are shown for hypercubic lattices of all dimensions, including , and a comparison with the Bardeen-Cooper-Schrieffer Hartree-Fock approximation (BCS-HFA) calculations and exact results is made. Our results show quantitative and qualitative corrections of the SBMFA to the HFA. The improvement of the SBMFA over the HFA diminishes with increasing lattice dimensionality. We have also evaluated the energy difference between the superconducting and the normal states; this is compared with available results for the superconducting critical temperatures in various dimensions and Uemura-type plots are obtained. The results confirm and substantiate the assertion of a continuous evolution of the superfluid properties of the model from the weak-coupling (BCS-like) to the strong-coupling (composite-boson superconductivity) limit.
We present a theory of the superfluid weight in multiband attractive Hubbard models within the Bardeen-Cooper-Schrieffer (BCS) mean-field framework. We show how to separate the geometric contribution to the superfluid weight from the conventional one, and that the geometric contribution is associated with the interband matrix elements of the current operator. Our theory can be applied to systems with or without time-reversal symmetry. In both cases the geometric superfluid weight can be related to the quantum metric of the corresponding noninteracting systems. This leads to a lower bound on the superfluid weight given by the absolute value of the Berry curvature. We apply our theory to the attractive Kane-Mele-Hubbard and Haldane-Hubbard models, which can be realized in ultracold atom gases. Quantitative comparisons are made to state of the art dynamical mean-field theory and exact diagonalization results.