Interface structure of epitaxial (111) VN films on (111) MgO substrates

Vanadium nitride VN was grown epitaxially on (111) MgO by reactive magnetron sputtering. The substrate preparation and deposition conditions cause an interface roughness of 2-3 nm. The lattice mismatch of cube-on-cube orientation relationship between (111) VN and (111) MgO is relaxed by misfit dislocations. Ab-initio simulations were employed to Calculate the lowest energy configuration of the coherent parts of the interface. This is accomplished by an O termination of the MgO and V termination of VN at the interface. (C) 2008 Elsevier B.V. All rights reserved.