Markus Aichhorn

Theoretical evidence for strong correlations and incoherent metallic state in FeSe

The role of electronic Coulomb correlations in iron-based superconductors is an important open question. We provide theoretical evidence for strong correlation effects in the FeSe compound, based on dynamical mean field calculations. A lower Hubbard band is found in the spectral properties. Moreover, together with significant orbital-dependent mass enhancements, we find that the normal state is a bad metal over an extended temperature range, implying a non-Fermi liquid. Predictions for angle-resolved photoemission spectroscopy are made.

Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO

We present an approach that combines the local-density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane-wave method. Wannier-type functions for the correlated shell are constructed by projecting local orbitals onto a set of Bloch eigenstates located within a certain energy window. The screened Coulomb interaction and Hunds coupling are calculated from a first-principles constrained random-phase approximation scheme. We apply this

Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition-metal oxides: Sr2IrO4 versus Sr2RhO4.

\text{LDA}+\text{DMFT}

Variational cluster approach to spontaneous symmetry breaking: The itinerant antiferromagnet in two dimensions

implementation, in conjunction with a continuous-time quantum Monte Carlo algorithm, to the study of electronic correlations in LaFeAsO. Our findings support the physical picture of a metal with intermediate correlations. The average value of the mass renormalization of the

Coherence-incoherence crossover and the mass-renormalization puzzles in Sr(2)RuO(4).

\text{Fe}\text{ }3d

Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO

bands is about 1.6, in reasonable agreement with the picture inferred from photoemission experiments. The discrepancies between different

Origin of the high Néel temperature in SrTcO3.

\text{LDA}+\text{DMFT}

Weak phase separation and the pseudogap in the electron-doped cuprates

calculations (all technically correct) which have been reported in the literature are shown to have two causes: (i) the specific value of the interaction parameters used in these calculations and (ii) the degree of localization of the Wannier orbitals chosen to represent the

Fate of the false Mott-Hubbard transition in two dimensions

\text{Fe}\text{ }3d

Low-temperature Lanczos method for strongly correlated systems

states, to which many-body terms are applied. The latter is a fundamental issue in the application of many-body calculations, such as DMFT, in a realistic setting. We provide strong evidence that the DMFT approximation is more accurate and more straightforward to implement when well-localized orbitals are constructed from a large energy window encompassing