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arXiv:cond-mat/9810170 · Europhysics Letters (EPL)

Berry phases in superconducting transitions

Armando A. Aligia

Published Feb 15, 1999• 25 citations
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Abstract

I generalize the concept of Berry's geometrical phase for quasicyclic Hamiltonians to the case in which the ground state evolves adiabatically to an excited state after one cycle, but returns to the ground state after an integer number of cycles. This allows to extend the charge Berry phase γ c related to the macroscopic polarization, to many-body systems with fractional number of particles per site. Under certain conditions, γ c and the spin Berry phase γ s jump in π at the boundary of superconducting phases. In the extended Hubbard chain with on-site attraction U and nearest-neighbor interaction V at quarter filling, the transitions detected agree very well with exact results in two limits solved by the Bethe ansatz, and with previous numerical studies. In chains with spin SU (2) symmetry, γ s jumps when a spin gap opens.

DOI
10.1209/epl/i1999-00181-4

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I generalize the concept of Berry's geometrical phase for quasicyclic Hamiltonians to the case in which the ground state evolves adiabatically to an excited state after one cycle, but returns to the ground state after an integer number of cycles. This allows to extend the charge Berry phase γ c related to the macroscopic polarization, to many-body systems with fractional number of particles per site. Under certain conditions, γ c and the spin Berry phase γ s jump in π at the boundary of superconducting phases. In the extended Hubbard chain with on-site attraction U and nearest-neighbor interaction V at quarter filling, the transitions detected agree very well with exact results in two limits solved by the Bethe ansatz, and with previous numerical studies. In chains with spin SU (2) symmetry, γ s jumps when a spin gap opens.
We consider a modified extended Hubbard model (EHM) which, in addition to the on-site repulsion U and nearest-neighbor repulsion V, includes polarization effects in second-order perturbation theory. The model is equivalent to an EHM with renormalized U plus a next-nearest-neighbor repulsion term. Using a method based on topological quantum numbers (charge and spin Berry phases), we generalize to finite hopping t the quantum phase diagram in one dimension constructed by van den Brink et al. [Phys. Rev. Lett. 75, 4658 (1995)]. At hopping t=0t=0t=0 there are two charge density-wave phases, one spin density-wave phase, and one intermediate phase with charge and spin ordering, depending on the parameter values. At $t\ensuremath{\ne}0$ the nature of each phase is confirmed by studying correlation functions. However, in addition to the strong-coupling phases, a small region with bond ordering appears. The region occupied by the intermediate phase first increases and then decreases with increasing t, until it finally disappears for t of the order but larger than U. For small t, the topological transitions agree with the results of second-order perturbation theory.
We study the connection between Berry phases and quantum phase transitions of generic quantum many-body systems. Consider sequences of Berry phases associated to sequences of loops in the parameter space whose limit is a point. If the sequence of Berry phases does not converge to zero, then the limit point is a quantum critical point. Quantum critical points are associated to failures of adiabaticity. We discuss the remarkable example of the anisotropic XY spin chain in a transverse magnetic field and detect the XX region of criticality.
We study a Hubbard Hamiltonian, including a quite general nearest-neighbor interaction, parametrized by repulsion V, exchange interactions ${J}_{z}{,J}_{\ensuremath{\perp}},$ bond-charge interaction X, and hopping of pairs W. The case of correlated hopping, in which the hopping between nearest neighbors depends upon the occupation of the two sites involved, is also described by the model for sufficiently weak interactions. We study the model in one dimension with usual continuum-limit field theory techniques, and determine the phase diagram. For arbitrary filling, we find a very simple necessary condition for the existence of dominant triplet superconducting correlations at large distance in the spin SU(2) symmetric case: 4V+J<0.4V+J<0.4V+J<0. In the correlated-hopping model, the three-body interaction should be negative for positive V. We also compare the predictions of this weak-coupling treatment with numerical exact results for the correlated-hopping model obtained by diagonalizing small chains and using a Berry phase to determine the opening of the spin gap.
In this Thesis, we develop and apply an accurate method to determine the ground-state properties of strongly-correlated electrons in the framework of lattice model Hamiltonians. In lattice density-functional theory (LDFT) the basic variable is the one-particle density matrix γ. From a generalized HK theorem, the ground state energy Egs[γgs] = minγ E[γ] is obtained by minimizing the energy-functional E[γ] over all the physical or representable γ. The energy functional can be divided into two contributions: the kinetic-energy functional T [γ], which linear dependence on γ is exactly known, and the correlation-energy functional W [γ], which dependence on γ is not explicitly known. Finding accurate approximations for W [γ] constitutes the actual challenge of this thesis. Part of this work is based on previous studies which derive an approximation of W [γ] for the Hubbard Hamiltonian based on scaling hypothesis and an exact analytical results for the Hubbard dimer. However, this approach is limited to spin independent and homogeneous systems. In order to extend the scope of LDFT, we have developed three different approaches to derive W [γ] in order to study broken symmetry problems. First we extend the previous scaling functional to system having charge transfer. By a systematic study of the dependence of W [γ] on the charge distribution we find similar scaling properties as for the homogeneous case. An extension to the Hubbard model on bipartite lattices is then derived and applied to finite and infinite systems with repulsive and attractive interactions. The high accuracy of this functional is demonstrated. Nevertheless, this approach is difficult to transfer to more complex systems, since the calculation of W [γ] applies to the system as a whole. To overcome this problem, we derive another approximation based on local scaling properties. This functional is formulated on-site so that it can be applied to any ordered or disordered Hamiltonian with on-site interaction. As applications we study the metal-insulator transition in the ionic Hubbard model in oneand two-dimensions, as well as the one-dimensional Hubbard chain with first and second nearest neighbor hoppings. Finally, we develop a numerical approach of W [γ], on the basis on exact diagonalizations of an effective many-body Hamiltonian corresponding to a cluster surrounded by an effective medium. This effective Hamiltonian depends on the density matrix γ and allows to derive approximation to W [γ] which improve systematically with increasing cluster size. The formulation is spin-dependent and allows a straightforward generalization to multi-orbital correlated systems such spd-Hamiltonians. In addition it take into account the effects of short-range charge and spin fluctuations in the functional. The accuracy of the method is demonstrated for the Hubbard model by comparison with the Bethe-Ansatz solution (1D) and quantum Monte Carlo simulations (2D). Finally, an outlook or relevant future developments of the theory is provided.
We consider a generalized Hubbard model with on-site interaction U, nearest-neighbor repulsion V, and nearest-neighbor hopping for spin \ensuremath{\sigma}, which depends on the sum of particles ${\mathrm{m}}_{\mathrm{\ensuremath{\sigma}}\ensuremath{-}|\mathrm{A}\mathrm{m}}$ with opposite spin in the two sites involved. The hopping matrix elements are denoted by tAA{\mathrm{t}}_{\mathrm{AA}}tAA​,tAB{\mathrm{t}}_{\mathrm{AB}}tAB​,tBB{\mathrm{t}}_{\mathrm{BB}}tBB​ for ${\mathrm{m}}_{\mathrm{\ensuremath{\sigma}}\ensuremath{-}|\mathrm{A}\mathrm{m}}$=0,1,2, respectively. For 0tAB{\mathrm{t}}_{\mathrm{AB}}tAB​tAA{\mathrm{t}}_{\mathrm{AA}}tAA​=tBB{\mathrm{t}}_{\mathrm{BB}}tBB​, we have determined the regions of parameters for which the ground-state (GS) of the one-dimensional system is a charge-density wave (CDW), a spin-density wave (SDW), or a metal (M), using Hartree-Fock, exact diagonalization of finite chains and quantum Monte Carlo. The results agree qualitatively with the exactly solvable limit of tAB{\mathrm{t}}_{\mathrm{AB}}tAB​=0. For 0tAB{\mathrm{t}}_{\mathrm{AB}}tAB​tAA{\mathrm{t}}_{\mathrm{AA}}tAA​=tBB{\mathrm{t}}_{\mathrm{BB}}tBB​, the GS is a M for sufficiently low values of U and V. In contrast, when tAA{\mathrm{t}}_{\mathrm{AA}}tAA​+tBB{\mathrm{t}}_{\mathrm{BB}}tBB​-2tAB{2\mathrm{t}}_{\mathrm{AB}}2tAB​=0, our results suggest that the GS is either a CDW or a SDW, with the boundary between them lying near the line U=2V.