Université de Fribourg

Extended dynamical mean-field study of the Hubbard model with long-range interactions

Huang, Li ; Ayral, Thomas ; Biermann, Silke ; Werner, Philipp

In: Physical Review B, 2014, vol. 90, no. 19, p. 195114

Using extended dynamical mean-field theory and its combination with the GW approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered...

Université de Fribourg

Extended mean field study of complex φ4-theory at finite density and temperature

Akerlund, Oscar ; Forcrand, Philippe de ; Georges, Antoine ; Werner, Philipp

In: Physical Review D, 2014, vol. 90, no. 6, p. 065008

We review the extended mean field theory (EMFT) approximation and apply it to complex, scalar φ4 theory on the lattice. We study the critical properties of the Bose condensation driven by a nonzero chemical potential μ at both zero and nonzero temperature and determine the (T,μ) phase diagram. The results are in very good agreement with recent Monte Carlo data for all parameter values...

Université de Fribourg

Downfolding electron-phonon Hamiltonians from ab initio calculations: Application to K3 picene

Giovannetti, Gianluca ; Casula, Michele ; Werner, Philipp ; Mauri, Francesco ; Capone, Massimo

In: Physical Review B, 2014, vol. 90, no. 11, p. 115435

We propose an electron-phonon parametrization which is constructed to reproduce target geometry and harmonic frequencies taken from first principles calculations or experiment. With respect to standard electron-phonon models, it adds a “double-counting” correction, which takes into account the lattice deformation as the system is dressed by low-energy electron-phonon processes. We show the...

Université de Fribourg

Nonequilibrium dynamical mean-field theory and its applications

Aoki, Hideo ; Tsuji, Naoto ; Eckstein, Martin ; Kollar, Marcus ; Oka, Takashi ; Werner, Philipp

In: Reviews of Modern Physics, 2014, vol. 86, no. 2, p. 779–837

The study of nonequilibrium phenomena in correlated lattice systems has developed into one of the most active and exciting branches of condensed matter physics. This research field provides rich new insights that could not be obtained from the study of equilibrium situations, and the theoretical understanding of the physics often requires the development of new concepts and methods. On the...

Université de Fribourg

Hybridization expansion Monte Carlo simulation of multi-orbital quantum impurity problems: matrix product formalism and improved sampling

Shinaoka, Hiroshi ; Dolfi, Michele ; Troyer, Matthias ; Werner, Philipp

In: Journal of Statistical Mechanics: Theory and Experiment, 2014, vol. 2014, no. 6, p. P06012

We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix product state representation. We show that bond dimensions considerably smaller than the dimension of the Hilbert space are sufficient to obtain accurate results...

Université de Fribourg

Electronic excitation spectra of the five-orbital Anderson impurity model: From the atomic limit to itinerant atomic magnetism

Huang, Li ; Wehling, Tim O. ; Werner, Philipp

In: Physical Review B, 2014, vol. 89, no. 24, p. 245104

We study the competition of Coulomb interaction and hybridization effects in the five-orbital Anderson impurity model by means of continuous time quantum Monte Carlo, exact diagonalization, and Hartree-Fock calculations. The dependence of the electronic excitation spectra and thermodynamic ground-state properties on the hybridization strength and the form of the Coulomb interaction is...

Université de Fribourg

Electronic structure of SrVO3 within GW+DMFT

Sakuma, R. ; Werner, Philipp ; Aryasetiawan, F.

In: Physical Review B, 2013, vol. 88, no. 23, p. 235110

We present a detailed calculation of the electronic structure of SrVO3 based on the GW+DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasiparticle band structure and satellite features of...

Université de Fribourg

Dynamical mean field approximation applied to quantum field theory

Akerlund, Oscar ; Forcrand, Philippe de ; Georges, Antoine ; Werner, Philipp

In: Physical Review D, 2013, vol. 88, no. 12, p. 125006

We apply the dynamical mean field theory (DMFT) approximation to the real, scalar φ4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase...

Université de Fribourg

Phonon-enhanced relaxation and excitation in the Holstein-Hubbard model

Werner, Philipp ; Eckstein, Martin

In: Physical Review B, 2013, vol. 88, no. 16, p. 165108

We study quenches of the interaction and electron-phonon coupling parameter in the Hubbard-Holstein model, using nonequilibrium dynamical mean field theory. The calculations are based on a generalized Lang-Firsov scheme for time-dependent interactions or externally driven phonons, and an approximate strong-coupling impurity solver. The interaction quench calculations reveal the phonon-assisted...

Université de Fribourg

Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling

Murakami, Yuta ; Werner, Philipp ; Tsuji, Naoto ; Aoki, Hideo

In: Physical Review B, 2013, vol. 88, no. 12, p. 125126

We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo...