First-principles determination of magnetic properties

First-principles density functional theory calculations have achieved great success in the exciting field of low-dimension magnetism, in explaining new phenomena observed in experiments as well as in predicting novel properties and materials. As known, spin-orbit coupling (SOC) plays an extremely important role in various magnetic properties such as magnetic anisotropy, magnetostriction, magneto-optical effects and spin-dynamics. Using the full potential linearized augmented plane wave approach, we have carried out extensive investigations for the effects of SOC in various materials. Results of selected examples. such as structure and magnetic properties of Ni/Cu(001). magnetism and magnetic anisotropy in magnetic Co/Cu(001) thin films, wires and clusters, magnetostriction in FeGa alloys and magneto-optical effects in Fe/Cr superlattices. are discussed.