First Principles Determination of Magnetic Anisotropy and Magnetostriction in Transition Metal Alloys
文摘
First-principles electronic structure studies based on local spin density functional theory and performed on extremely complex simulations of ever increasingly realistic systems, play a very important role in explaining and predicting various magnetic properties. This review deals with one of the most challenging issues for first- principles theory, namely the determination of magnetostriction in transition metal systems. As is demonstrated, extensive first-principles calculations and model analyses provide simple physical insights for this complex phenomenon.