Related papers: Multipolar ordering from dynamical mean field theo…
The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean-field picture as provided by Hartree-Fock theory. Electronic…
A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations…
We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and supercell dynamical mean-field theory (DFT+DMFT). We find that…
Atomic-scale computational modeling of technologically relevant permanent magnetic materials faces two key challenges. First, a material's magnetic properties depend sensitively on temperature, so the calculations must account for thermally…
We generalize the formalism of the dynamical vertex approximation (D$\Gamma$A) -- a diagrammatic extension of the dynamical mean-field theory (DMFT)-- to treat magnetically ordered phases. To this aim, we start by concisely illustrating the…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
We study the electronic band-structure and transport properties of a CuO2-plane within the three-band Hubbard model. The Dynamical Mean-Field Theory (DMFT) is used to solve the many particle problem. The calculations show that the optical…
Cerium hexaboride is a cubic f-electron heavy-fermion compound that displays a rich array of low-temperature magnetic ordering phenomena which have been the subject of investigation for more than 50 years. Its complex behaviour is the…
The effects of electronic correlations and orbital degeneracy on thermoelectric properties are studied within the context of multi-orbital Hubbard models on different lattices. We use dynamical mean field theory with iterative perturbation…
We present a phenomenological model for magnetoelectricity in multiferroic materials. The distinctive feature of the model is a two-component complex order parameter that encodes the electric polarization, along with a direct coupling…
The electronic nematic order characterized by broken rotational symmetry has been suggested to play an important role in the phase diagram of the high temperature cuprates. We study the interplay between the electronic nematic order and a…
We investigate magnetic properties of CrTe$_2$ within the density functional theory (DFT) approach in ferromagnetic phase and combination of DFT and dynamical mean field theory (DFT+DMFT) approach in paramagnetic phase. We show that few…
This work reports a theoretical framework that combines the auxiliary coherent potential approximation (ACPA-DMFT) with dynamical mean-field theory to study strongly correlated and disordered electronic systems with both diagonal and…
We extend the concept of conventional multiferroicity \ -- where ferroelectric and ferromagnetic orders coexist \ -- to include multipolar degrees of freedom. Specifically, we explore how this phenomenon emerges in $4d^2/5d^2$ Mott…
This letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors which have one, two or three components are studied by computer simulation.…
We employ large-scale quantum Monte Carlo simulations to study the magnetic ordering transition among dilute magnetic moments randomly localized on the graphene honeycomb lattice, induced by long-ranged RKKY interactions at low charge…
Dipolar coupling in crystals of the Mn$_{12}$Ac molecular magnet elongated along the anisotropy axis favors ferromagnetic ordering below the mean-field Curie temperature 0.71 K. With the help of Monte Carlo on crystals of up to one million…
The clathrate compound Ce3Pd20Si6 is a heavy-fermion metal that exhibits magnetically hidden order at low temperatures. Reputedly, this exotic type of magnetic ground state, known as "phase II", could be associated with the ordering of Ce…