Yu Zhong Zhang

TL;DR: With extensive density functional theory calculations, the link between many body theory and experiment is refreshed by determining hopping parameters of the underlying Hubbard model, and the widely used semiempirical parameters are revised in the direction of less frustrated, more anisotropic triangular lattices.

TL;DR: In this article, high resolution angle-resolved photoemission spectroscopy (ARPES) studies of the electronic structure of BaFe 2, which is one of the parent compounds of the Fe-pnictide superconductors, were performed at 20 and 300 K.

TL;DR: In this article, the authors investigated the electronic and lattice structure of Fe under pressure and found that the structural phase transition (orthorhombic to tetragonal symmetry) is always accompanied by a magnetic phase transition in all the compounds while the nature of the transitions is different for the three systems.

TL;DR: In this paper, a combination of high resolution angle-resolved photoemission spectroscopy and density functional calculations was used to derive information on the dimensionality and the orbital character of the electronic states of BaFe and Co compounds.

TL;DR: In this article, the effect of external pressure on the Fe magnetic moment in undoped LaFeAsO was investigated within the framework of density-functional theory and showed that this system is close to a magnetic instability.