Epitaxial growth regims and correlations between magnetic and chemical structures

A theoretical approach of the modelling of the interface alloying during the epitaxial growth together with a subsequent self-consistent calculations of the magnetic and the electronic structure within periodic Anderson model is developed. The semi-empirical parameters of the model are chosen in order to reproduce the values of magnetic moments and the main features of the density of states obtained with ab initio calculations for the ideal systems. Our approach is applied for the description of Fe/Cr, Fe/V, Fe/V–H multilayers. The magnetic moment distributions calculated for superlattices with different interface roughness allow to connect the data obtained through different experimental methods with chemical and magnetic interface structure at the atomic scale.