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Register a new userFinite-Size Bosonization and Self-Consistent Harmonic Approximation
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The self-consistent harmonic approximation is extended in order to account for the existence of Klein factors in bosonized Hamiltonians. This is important for the study of finite systems where Klein factors cannot be ignored a priori. As a test we apply the method to interacting spinless fermions with modulated hopping. We calculate the finite-size corrections to the energy gap and the Drude weight and compare our results with the exact solution for special values of the model parameters.
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We design an efficient and balanced approach that captures major effects of collective electronic fluctuations in strongly correlated fermionic systems using a simple diagrammatic expansion on a basis of dynamical mean-field theory. For this aim we perform a partial bosonization of collective fermionic fluctuations in leading channels of instability. We show that a simultaneous account for different bosonic channels can be done in a consistent way that allows to avoid the famous Fierz ambiguity problem. The present method significantly improves a description of an effective screened interaction $W$ in both, charge and spin channels, and has a great potential for application to realistic $GW$-like calculations for magnetic materials.
At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depends on the approximation used for the exchange-correlation kernel in density functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the free energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe, we reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the $Gamma$X direction. In the case of SnTe, we describe the occurrence of a ferroelectric transition from the high temperature Fm$overline{3}$m structure to the low temperature R3m one.
In this thesis, I present a non-perturbative approach to the single-band attractive Hubard model which is an extension of previous work by Vilk and Tremblay on the repulsive model. Exact results are derived in the general context of functional derivative approaches to many-body theories. The first step of the approximation is based on a local field type ansatz. All physical quantities can be expressed as a function of double-occupancy (in addition to temperature and filling). Double-occupancy is determined without adjustable parameter by imposing the Pauli principle and a crucial sum-rule, making the first step of the approximation Two-Particle Self-Consistent. The final expression for the self-energy is obtained by calculating the low-frequency part of the exact expression with the two-particle correlation, Green function and renormalized vertex obtained in the first step of the approximation. The Mermin-Wagner theorem in two dimensions is automatically satisfied. Application of this non-perturbative many-body approach to the intermediate coupling regime shows quantitative agreement with quantum Monte Carlo calculations. Both approaches predict the existence of a pseudogap in the single-particle spectral weight. I present some physical properties, such as correlation lengths, superfluid density, and characteristic pair fluctuation energy, to highlight the origin of the pseudogap in the weak to intermediate coupling regime. These results suggest that two-dimensional systems that are described by a symmetry group larger than SO(2) could have a larger region of pseudogap behavior. High-temperature superconductors may belong to that category of systems.
We investigate static correlation and delocalization errors in the self-consistent GW and random-phase approximation (RPA) by studying molecular dissociation of the H_2 and LiH molecules. Although both approximations contain topologically identical diagrams, the non-locality and frequency dependence of the GW self-energy crucially influence the different energy contributions to the total energy as compared to the use of a static local potential in the RPA. The latter leads to significantly larger correlation energies which allow for a better description of static correlation at intermediate bond distances. The substantial error found in GW is further analyzed by comparing spin-restricted and spin-unrestricted calculations. At large but finite nuclear separation their difference gives an estimate of the so-called fractional spin error normally determined only in the dissociation limit. Furthermore, a calculation of the dipole moment of the LiH molecule at dissociation reveals a large delocalization error in GW making the fractional charge error comparable to the RPA. The analyses are supplemented by explicit formulae for the GW Greens function and total energy of a simplified two-level model providing additional insights into the dissociation limit.
We show that in order to describe the isotropic-nematic transition in stripe forming systems with isotropic competing interactions of the Brazovskii class it is necessary to consider the next to leading order in a 1/N approximation for the effective Hamiltonian. This can be conveniently accomplished within the self-consistent screening approximation. We solve the relevant equations and show that the self-energy in this approximation is able to generate the essential wave vector dependence to account for the anisotropic character of two-point correlation function characteristic of a nematic phase.
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