Ab initio calculations on the structural and magnetic properties of (Cr, Mn, Fe)/Ag monatomic multilayers with tetragonal L10 ordered structure in paramagnetic, ferromagnetic, and antiferromagnetic states are performed by means of the self-consistent full-potential linearized augmented-plane-wave method. By fitting the ab initio results to an Ising model, we have extracted exchange interactions in these systems and discuss general behaviors of the exchange interactions with respect to lattice relaxation and 3d electron filling. Finally, a zero-temperature phase diagram is given to describe the stabilities of the magnetic configurations.
|Number of pages
|Physical Review B - Condensed Matter and Materials Physics
|Published - 1999