Surface-termination dependent magnetism and strong perpendicular magnetocrystalline anisotropy of a FeRh (001) thin film: A density-functional study

Magnetism of FeRh (001) films strongly depends on film thickness and surface terminations. While magnetic ground state of bulk FeRh is G-type antiferromagnetism, the Rh-terminated films exhibit ferromagnetism with strong perpendicular MCA whose energy +2.1 meV/$\mathrm{\square }$ is two orders of magnitude greater than 3$d$ magnetic metals, where $\mathrm{\square }$ is area of two-dimensional unit cell. While Goodenough-Kanamori-Anderson rule on the superexchange interaction is crucial in determining the magnetic ground phases of FeRh bulk and thin films, the magnetic phases are results of interplay and competition between three mechanisms - the superexchange interaction, the Zener direct-interaction, and magnetic energy gain.