Phase diagrams play a primary role in the understanding of materials properties. For iron-
based superconductors (Fe-SC), the correct definition of their phase diagrams is crucial …

Herewith, we review the available experimental data of thermoelectric transport properties of
iron-based superconductors and parent compounds. We discuss possible physical …

We report a comprehensive study of the nanoscale inhomogeneity and disorder on the
thermoelectric properties of FeSe 1-x S x (0≤ x≤ 1) single crystals and the evolution of …

Spin-dependent exchange-correlation energy functionals in use today depend on the
charge density and the magnetization density: E xc [ρ, m]. However, it is also correct to …

Resolving the interplay between magnetic interactions and structural properties in strongly
correlated materials through a quantitatively accurate approach has been a major challenge …

Electronic nematicity, where strong correlations drive electrons to align in a way that lowers
the crystal symmetry, is ubiquitous among unconventional superconductors. Understanding …

We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves
the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) …

We investigate the pressure phase diagram of FeTe, predicting structural and magnetic
properties in the normal state at zero temperature within density functional theory. We …

We report first-principles density-functional theory results on the electronic and magnetic
properties of the recently discovered superconducting FeS, which reveals important …

We investigate the Seebeck effect in R FeAsO (R= rare earth) compounds as a function of
temperature and magnetic field up to 30 T. The Seebeck curves are characterized by a …