Hydrogen is a clean and renewable energy carrier for powering future transportation and
other applications. Water electrolysis is a promising option for hydrogen production from …

The recent discovery of the superconductivity in the doped infinite layer nickelates RNiO 2
(R= La, Pr, Nd) is of great interest since the nickelates are isostructural to doped (Ca, Sr) …

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 …

Motivated by the recent experimental discovery of superconductivity in the infinite-layer
nickelate Nd 0.8 Sr 0.2 NiO 2 [Li, Nature (London) 572, 624 (2019) 10.1038/s41586-019 …

High-temperature superconductivity in cuprates arises from an electronic state that remains
poorly understood. We report the observation of a related electronic state in a noncuprate …

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 …

We present the TRIQS/DFTTools package, an application based on the TRIQS library that
connects this toolbox to realistic materials calculations based on density functional theory …

We report angle resolved photoemission experiments on the electron doped Heisenberg
antiferromagnet (Sr 1− x La x) 2 IrO 4. For a do** level of x= 0.05, we find an unusual …

By means of density functional theory (DFT) calculations [with and without inclusion of spin-
orbit (SO) coupling] we present a detailed study of the electronic structure and …