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.
- Hydrogenated iron-vanadium
- Hyperfine properties
ASJC Scopus subject areas
- Condensed Matter Physics
- Nuclear and High Energy Physics
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry