  The electronic and magnetic structures of a hydrogenated and hydrogen free
superlattice of 3 iron monolayers and 9 vanadium monolayers are studied using
the first principle full-potential augmented-plane-wave method as implemented
in WIEN2k package. The volume, the total energy and the magnetic moments of the
system are studied versus the hydrogen positions at the octahedral sites within
the superlattice and also versus the filling of the vanadium octahedral
location by hydrogen atoms. It is found that the hydrogen locations at the
interior of vanadium layer are energetically more favourable. The local Fe
magnetic moment and the average magnetic moment per supercell are found to
increase as the H position moves towards the Fe-V interface. On the other hand,
the average magnetic moment per supercell is found to initially decrease up to
filling by 3 H atoms and then increases afterwards. To our knowledge, this is
the first reporting on the increase in the computed magnetic moment with
hydrogenation. These trends of magnetic moments are attributed to the volume
changes resulting from hydrogenation and not to electronic hydrogen-metal
interaction.
