463 citations · 1.8k across the 32 of their papers we have counts for
18 papers · 1 filter
Charge and spin orders in the t-U-V-J model: a slave-spin-1 approach
Olivier Simard, Michel Ferrero, Thomas Ayral
Strongly-correlated fermion systems on a lattice have been a subject of intense focus in the field of condensed-matter physics. These systems are notoriously difficult to solve, ev…
Rotationally invariant slave-boson and density matrix embedding theory: A unified framework and a comparative study on the 1D and 2D Hubbard Model
Tsung-Han Lee, Thomas Ayral, Yong-Xin Yao +2
We present detailed benchmark ground-state calculations of the one- and two-dimensional Hubbard model utilizing the cluster extensions of the rotationally invariant slave-boson (RI…
Dynamical Mean Field Theory, Density-Matrix Embedding Theory and Rotationally Invariant Slave Bosons: a Unified Perspective
Thomas Ayral, Tsung-Han Lee, Gabriel Kotliar
We present a unified perspective on Dynamical Mean Field Theory (DMFT), Density-Matrix Embedding Theory (DMET) and Rotationally Invariant Slave Bosons (RISB). We show that DMET can…
Non-local Coulomb interactions on the triangular lattice in the high-doping regime: Spectra and charge dynamics from Extended Dynamical Mean Field Theory
Sophie Chauvin, Thomas Ayral, Lucia Reining +1
We explore the two-dimensional extended Hubbard model on the triangular lattice in the high doping regime. On-site and nearest-neighbour repulsive interactions are treated in a non…
The Fierz convergence criterion: a controlled approach to strongly-interacting systems with small embedded clusters
Thomas Ayral, Jaksa Vucicevic, Olivier Parcollet
We present an embedded-cluster method, based on the TRILEX formalism. It turns the Fierz ambiguity, inherent to approaches based on a bosonic decoupling of local fermionic interact…
TRILEX and +EDMFT approach to -wave superconductivity in the Hubbard model
Jaksa Vucicevic, Thomas Ayral, Olivier Parcollet
We generalize the recently introduced TRILEX approach (TRiply Irreducible Local EXpansion) to superconducting phases. The method treats simultaneously Mott and spin-fluctuation phy…
Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
Thomas Ayral, Silke Biermann, Philipp Werner +1
In electronic systems with long-range Coulomb interaction, the nonlocal Fock exchange term has a band-widening effect. While this effect is included in combined many-body perturbat…
Large effects of subtle electronic correlations on the energetics of vacancies in alpha-Fe
Pascal Delange, Thomas Ayral, Sergei I. Simak +4
We study the effect of electronic Coulomb correlations on the vacancy formation energy in paramagnetic alpha-Fe within ab initio dynamical mean-field theory. The calculated value f…
Mott physics and collective modes: an atomic approximation of the four-particle irreducible functional
Thomas Ayral, Olivier Parcollet
We discuss a generalization of the dynamical mean field theory (DMFT) for strongly correlated systems close to a Mott transition based on a systematic approximation of the fully ir…
Mott physics and spin fluctuations: a functional viewpoint
Thomas Ayral, Olivier Parcollet
We present a formalism for strongly correlated systems with fermions coupled to bosonic modes. We construct the three-particle irreducible functional by successive Le…
Uncertainty principle for experimental measurements: Fast versus slow probes
Philipp Hansmann, Thomas Ayral, Antonio Tejeda +1
The result of a physical measurement depends on the timescale of the experimental probe. In solid-state systems, this simple quantum mechanical principle has far-reaching consequen…
TRIQS: A Toolbox for Research on Interacting Quantum Systems
Olivier Parcollet, Michel Ferrero, Thomas Ayral +4
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick develop…
Mott physics and spin fluctuations: a unified framework
Thomas Ayral, Olivier Parcollet
We present a formalism for strongly correlated electrons systems which consists in a local approximation of the dynamical three-leg interaction vertex. This vertex is self-consiste…
Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2
Ambroise van Roekeghem, Thomas Ayral, Jan M. Tomczak +7
Understanding the Fermi surface and low-energy excitations of iron or cobalt pnictides is crucial for assessing electronic instabilities such as magnetic or superconducting states.…
Extended dynamical mean-field study of the Hubbard model with long range interactions
Li Huang, Thomas Ayral, Silke Biermann +1
Using extended dynamical mean-field theory and its combination with the approximation, we compute the phase diagrams and local spectral functions of the single-band extended H…
Long-range Coulomb interactions in surface systems: a first principles description within self-consistently combined GW and dynamical mean field theory
Philipp Hansmann, Thomas Ayral, Loig Vaugier +2
Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are domin…
Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
Thomas Ayral, Silke Biermann, Philipp Werner
We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repu…
Spectral Properties of Correlated Materials: Local Vertex and Non-Local Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory
Thomas Ayral, Philipp Werner, Silke Biermann
We present a fully self-consistent combined GW and dynamical mean field (GW+DMFT) study of the spectral properties of the extended two-dimensional Hubbard model. The inclusion of t…