The hyperfine properties of a hydrogenated Fe/V superlattice

We study the effect of hydrogen on the electronic, magnetic and hyperfine structures of an iron-vanadium superlattice consisting of three Fe monolayers and nine V monolayers. The contact charge density (ρ), the contact hyperfine field (B _hf) and the electronic field gradient (EFG) at the Fe sites for different H locations and H fillings are calculated using the first principle full-potential linear-augmentedplane-wave (FP-LAPW) method. It is found that sizeable changes in the hyperfine properties are obtained only when H is in the interface region.