Magnetism of One-Dimensional Ni monoatomic chain on Au(110)-(1x2) surface

TL;DR

This study uses density functional theory to analyze the magnetic anisotropy of one-dimensional Ni chains on an Au surface, revealing how surface relaxation influences orbital moments and magnetization directions.

Contribution

It provides new insights into how surface relaxation affects orbital moments and magnetic anisotropy in supported transition metal chains.

Findings

Magnetic anisotropy relates closely to orbital quenching.

The easy magnetization axis switches from parallel to perpendicular upon surface absorption.

Surface relaxation enhances orbital moments of early transition metals and quenches those of later ones.

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$\times$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.