Problems with reconciling density functional theory calculations with experiment in ferropnictides
Problems with reconciling density functional theory calculations with experiment in ferropnictides
First-principles calculations of magnetic and, to a lesser extent, electronic properties of the LaFeAsO-based superconductors show substantial apparent controversy, as opposed to most weakly or strongly correlated materials. Not only do different reports disagree about quantitative values but there is also a schism in terms of interpreting the basic physics …