Filling-enforced Dirac semimetals, or those required at specific fillings by the combination of
crystalline and time-reversal symmetries, have been proposed in numerous materials …

This is a review of the magnetism and superconductivity in'11'-type Fe chalcogenides, as
compared to the Fe-pnictide materials. The chalcogenides show many differences from the …

Mackinawite is a naturally occurring layer-type FeS mineral important in biogeochemical
cycles and, more recently, in the development of microbial fuel cells. Conflicting results have …

We have used density functional theory calculations to investigate the interaction between
methylamine (CH 3 NH 2) and the dominant surfaces of mackinawite (FeS), where the …

Crystals of FeSe0. 88 and FeSeMn0. 1 have been grown from KCl solutions. Crystals
measuring 2− 3 mm across and 0.1− 0.3 mm thick grow with a hexagonal plate like habit …

We report density-functional studies of the Fe 1− x Cu x Se alloy done using supercell and
coherent-potential approximation methods. Magnetic behavior was investigated using the …

The electronic structure and shape of the Fermi surface are known to be of fundamental
importance for the superconducting instability in real materials. We demonstrate that such an …

The lattice dynamics and the effect of pressure on superconducting LiFeAs in both
nonmagnetic (NM) and striped antiferromagnetic (SAF) phases are investigated using the …

The electronic structure in unconventional superconductors holds a key to understanding
the momentum-dependent pairing interactions and the resulting superconducting gap …

We present first-principles density-functional-theory-based calculations to determine the
effects of the strength of on-site electron correlation, magnetic ordering, pressure and Se …