Quantum impurity models describe an atom or molecule embedded in a host material with
which it can exchange electrons. They are basic to nanoscience as representations of …

The response of the worldwide scientific community to the discovery in 2008 of
superconductivity at T c= 26 K in the Fe-based compound LaFeAsO1− x F x has been very …

The recently discovered Fe-pnictide and chalcogenide superconductors display low-
temperature properties suggesting superconducting gap structures which appear to vary …

In this study, we reanalyze the magnetic interactions in the Kitaev spin-liquid candidate
materials Na 2 IrO 3, α-RuCl 3, and α-Li 2 IrO 3 using nonperturbative exact diagonalization …

Strong electronic correlations are often associated with the proximity of a Mott-insulating
state. In recent years however, it has become increasingly clear that the Hund's rule …

Superconducting nickelates appear to be difficult to synthesize. Since the chemical
reduction of ABO 3 [rare earth (A), transition metal (B)] with CaH 2 may result in both ABO 2 …

We implemented the charge self-consistent combination of density-functional theory and
dynamical mean-field theory (DMFT) in two full-potential methods, the augmented plane …

We show that electron-and hole-doped BaFe 2 As 2 are strongly influenced by a Mott
insulator that would be realized for half-filled conduction bands. Experiments show that …

We present an implementation of an interface between the full-potential linearized
augmented plane wave package Wien2k and the wannier90 code for the construction of …

In this work, we address the question of calculating the local effective Coulomb interaction
matrix in materials with strong electronic Coulomb interactions from first-principles. To this …