Magnetism of One-Dimensional Ni monoatomic chain on Au(110)-(1x2) surface
W. Fan, X. G. Gong
Abstract
Based on Density Functional Theory with no-collinear-magnetism formulations, we have calculated magnetic anisotropy of supported Ni chains. Our results indicate that the magnetic anisotropy is closely related to orbital quenching. The easiest magnetized axis changes from parallel to perpendicular to the Ni chains once they absorb on the surface. Our results for single absorbed 3d transition metal atom show that the surface relaxation enhances the orbital moments of left-end elements (Ti,V) and quenches the orbital moments of right-end elements (Fe,Co,Ni) on the Au(110)-(1×2) surface. This is because Ti and V atom raise their position above the trough and Fe, Co, Ni atom trap more deeply in the trough after the surface relaxation.
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